D-I-TASSER Q7LFL8-D1

D-I-TASSER results for Q7LFL8-D1

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

Input Sequence in FASTA format

>Q7LFL8 (322 residues)
MSSLGGGSQDAGGSSSSSTNGSGGSGSSGPKAGAADKSAVVAAAAPASVADDTPPPERRN
KSGIISEPLNKSLRRSRPLSHYSSFGSSGGSGGGSMMGGESADKATAAAAAASLLANGHD
LAAAMAVDKSNPTSKHKSGAVASLLSKAERATELAAEGQLTLQQFAQSTEMLKRVVQEHL
PLMSEAGAGLPDMEAVAGAEALNGQSDFPYLGAFPINPGLFIMTPAGVFLAESALHMAGL
AEYPMQGELASAISSGKKKRKRCGMCAPCRRRINCEQCSSCRNRKTGHQICKFRKCEELK
KKPSAALEKVMLPTGAAFRWFQ

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSSLGGGSQDAGGSSSSSTNGSGGSGSSGPKAGAADKSAVVAAAAPASVADDTPPPERRNKSGIISEPLNKSLRRSRPLSHYSSFGSSGGSGGGSMMGGESADKATAAAAAASLLANGHDLAAAMAVDKSNPTSKHKSGAVASLLSKAERATELAAEGQLTLQQFAQSTEMLKRVVQEHLPLMSEAGAGLPDMEAVAGAEALNGQSDFPYLGAFPINPGLFIMTPAGVFLAESALHMAGLAEYPMQGELASAISSGKKKRKRCGMCAPCRRRINCEQCSSCRNRKTGHQICKFRKCEELKKKPSAALEKVMLPTGAAFRWFQ
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCC
Confidence	9877888888998887545578888888887788888865566765222478898676786777641111022136771222455777677776667777777777878877788887666666666677777776665556677777888755566643222444445545556667777775113688751111477667884557755677889875301578777778766778876687877776766665311443677767666688987866568998773112132315552467765565577654320169
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSSLGGGSQDAGGSSSSSTNGSGGSGSSGPKAGAADKSAVVAAAAPASVADDTPPPERRNKSGIISEPLNKSLRRSRPLSHYSSFGSSGGSGGGSMMGGESADKATAAAAAASLLANGHDLAAAMAVDKSNPTSKHKSGAVASLLSKAERATELAAEGQLTLQQFAQSTEMLKRVVQEHLPLMSEAGAGLPDMEAVAGAEALNGQSDFPYLGAFPINPGLFIMTPAGVFLAESALHMAGLAEYPMQGELASAISSGKKKRKRCGMCAPCRRRINCEQCSSCRNRKTGHQICKFRKCEELKKKPSAALEKVMLPTGAAFRWFQ
Prediction	7562444455344434443544546456435556555544445434531465424463465541254224423645342543452544454454354445444445443454534344352664344345444444445444542753544353434444334433664542554436424144646353541433434643444442443443423423332243434444443444436434455554455455444242144045143463144033043574433203323055046347452453334334224228
	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

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCC
MSSLGGGSQDAGGSSSSSTNGSGGSGSSGPKAGAADKSAVVAAAAPASVADDTPPPERRNKSGIISEPLNKSLRRSRPLSHYSSFGSSGGSGGGSMMGGESADKATAAAAAASLLANGHDLAAAMAVDKSNPTSKHKSGAVASLLSKAERATELAAEGQLTLQQFAQSTEMLKRVVQEHLPLMSEAGAGLPDMEAVAGAEALNGQSDFPYLGAFPINPGLFIMTPAGVFLAESALHMAGLAEYPMQGELASAISSGKKKRKRCGMCAPCRRRINCEQCSSCRNRKTGHQICKFRKCEELKKKPSAALEKVMLPTGAAFRWFQ

1vt4I3

0.11

4.02

0.75

CEthreader

GGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG

6f1tX

0.07

0.06

2.48

0.65

EigenThreader

--VIRQKEKDLVLAARLGKALLERNQDMSRQYEQMHKELTDKLEHLEQEKHELRRRFENREGEWEG-----RVSELETDVKQLQDELERQQLHLREADREKTRAVQELSEQNQRLLDQLSRASEVERQLSMQVHALKEDFREKNSSTNQHIIRLESLQAEIKMLSDRKRELEHRLSATLEENDLLQGTVEELQDRVLILERQGHDKDLQLHQSQLELQEV-----RLSYRQLQGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG-------GGGGGGGGGGGGGGG------------------

4pziA

0.31

0.05

1.59

0.55

FFAS-3D

-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------HGKKMRMARCGHCRGCLRVQDCGSCVNCLDKPTKKQCCVYRKCDKIEARKMERL---------------

6gmhM

0.10

3.56

0.99

SPARKS-K

GIAFSSARDNGEGEVTDFLRLPHFTEEREKKAQDIETLKKFLLNKKPHVAGENRDAQMLIEDRIVHELDQGQQLSSELAILYMNSKKSEAEFRDYPPVLRQAVSLARRIQLIEFAQVCSEDILCLKFHPLQEHVVKEELLNALYCEFINRVNEVAIAHPYSQALIQYVCGLGPRKGTHLLKILKQNNTRLESRTQLVTMCHMG-PKVFMNCAGFRVHPE----------TYEWARKMAVDA---LEYDESAEDANPAGALEEILENPERLKDLDLDAAEELERQGYGDKHTLYDIRAELSCRYKDLRTAYRSPNTEIFNMLT

3k17A

0.09

0.03

1.07

0.56

CNFpred

-----------------------------------------------------------------------------------------------------SKNYQHFLTRNNEIMKQIIQAFHTKDEE------------------------------LLYSSIKENRRILQELGTKAVNIETSLL-----KELADSAENMGGAGKSSGSGGG---DCGIAFSKTKELAEKLVNEWEKL----------------------------------------------------------------------------------

5a22A

0.04

0.02

1.35

0.67

DEthreader

-------QANPISTQMWWSLGPT---------------IVERQGNFSYDLIKMEPNHIIATAVKVICNYIPIVIRAEN-----------------NPIAKFRHLSLNIAMGMSPISEVSLHL--L-SAADTTVPHPEMLGPQHRKET-VHCPDGIHDVFSS-RGPL--PA--YLGSKTSE-SALHRFSTSS-GLGQNFDFLFQATLLAQHAE-------------------SP--S--SYPTSNRDMGVIVRNYKQFIPDPIASSDRP--------ELVRNQVRLNPF----------------------SILMLK-SDLHE

1vt4I3

0.07

0.05

2.08

0.84

MapAlign

---------------------------------------------------------------------------IVDHYNIPKTFDSDDLIPPYLDQYFYSHIGHHLRMTLFRMVFLDFRFLEQKIRHDSTAWNASGSILNTLQQLKFYKPYICDNDPKYERLVNAILDFEEAHKQVQGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGGG--------GGGGGGGGGGGGGGGGG

2atyA

0.11

3.92

0.66

MUSTER

ISCGSPPPILNGRISYYSTPGTFRLIGEKSLLCITKDKVDGTPAPKCEYFNKYSSCPEPIVPGGYKIRGSTPYRHGDSVTFACKTNFSMNGNKSVWCQANNMWGPTRLPTCVSVFPLEGSIEGRGGSELADPEVPRDCGCKPCICTVPEVSSVFIFPPKPKDVLTITLTPKVTCVVVDISKDDPEVQDDVEVHTAQTQPREEQFNSTFRSVSELPIMHKERVNSAAFPAPIEKTISKTKGRPKAPQLYTIPPPKEQMAKDKTCDFFPEDITQWNGQPAENYKNTQPIMNT-SYFVYSKLN--QKSNWE-EGLHNHHTEKSLS

4hp1C

0.59

0.09

2.67

2.43

HHsearch

----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NKKRKRCGVCVPCLRKEPCGACYNCVNRSTSHQICKMRKCEQLKKKRVVPM---------------

7as7A

0.06

2.68

0.52

CEthreader

IHHYPNGIVTVNCARLLKADHHATNGVVHLIDKVISTITNNIQQIIEIEDTFETLRAAVAASGLNTMLEGNGQYTLLAPTNEAFEKIPSETLNRILGDPEALRDLLNNHILKSAMCAEAIVAGLSVETLEGTTLEVGCSGDMLTINGKAIISNKDILATNGVIHYIDELLIPDSAKTLFELAAESDVSTAIDLFRQAGLGNHLSGSERLTLLAPLNSVFKDGTPPIDAHTRNLLRNHIIKDQLASKYLYHGQTLETLGGKKLRVFVYRNSLCIENSCIAAHDKRGRYGTLFTMDRVLTPPMGTVMDVLKGDNRFSMLVAAIQ

(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	0.489

(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	3cmuA	0.39	6.75	0.047	0.671	model1_3cmuA.pdb.gz
2	5cskA	0.39	6.77	0.052	0.665	model1_5cskA.pdb.gz
3	6xjbA	0.39	7.00	0.045	0.699	model1_6xjbA.pdb.gz
4	5amqA	0.39	6.41	0.041	0.637	model1_5amqA.pdb.gz
5	6ez8A	0.38	6.49	0.038	0.633	model1_6ez8A.pdb.gz
6	3qmzA	0.38	7.02	0.030	0.683	model1_3qmzA.pdb.gz
7	5mz9A	0.38	6.14	0.039	0.624	model1_5mz9A.pdb.gz
8	6yhkA	0.38	7.17	0.033	0.693	model1_6yhkA.pdb.gz
9	3c3lA	0.38	6.80	0.047	0.658	model1_3c3lA.pdb.gz
10	5szsA	0.38	6.41	0.063	0.621	model1_5szsA.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:0097159	0.89	organic cyclic compound binding
GO:0003676	0.88	nucleic acid binding
GO:0003677	0.87	DNA binding
GO:0043565	0.82	sequence-specific DNA binding
GO:0008134	0.82	transcription factor 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:0065007	0.87	biological regulation
GO:0050789	0.86	regulation of biological process
GO:0050794	0.85	regulation of cellular process
GO:0048519	0.81	negative regulation of biological process
GO:0048523	0.80	negative regulation of cellular process
GO:0031323	0.77	regulation of cellular metabolic process
GO:2000112	0.76	regulation of cellular macromolecule biosynthetic process
GO:0019219	0.76	regulation of nucleobase-containing compound metabolic process
GO:0006355	0.75	regulation of transcription, DNA-templated
GO:0006357	0.74	regulation of transcription from RNA polymerase II promoter
GO:0045934	0.73	negative regulation of nucleobase-containing compound metabolic process
GO:0010605	0.73	negative regulation of macromolecule metabolic process
GO:2000113	0.70	negative regulation of cellular macromolecule biosynthetic process
GO:0000122	0.69	negative regulation of transcription from RNA polymerase II promoter
GO:0044699	0.55	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:0044424	1.00	intracellular part
GO:0005737	0.87	cytoplasm
GO:0044422	0.83	organelle part
GO:0044446	0.82	intracellular organelle part
GO:0044428	0.79	nuclear part
GO:0005654	0.78	nucleoplasm

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	3iydC	0.328	6.95	0.037	0.593	2.7.7.6	NA
2	0.060	2hpiA	0.334	6.60	0.071	0.584	2.7.7.7	172
3	0.060	2wyhA	0.322	6.28	0.034	0.525	3.2.1.24	161
4	0.060	1w36B	0.331	6.69	0.057	0.562	3.1.11.5	243
5	0.060	3eqlD	0.338	6.59	0.072	0.571	2.7.7.6	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	1ydiA	0.203	6.92	0.032	0.366	0.15	III	complex1.pdb.gz	134,139,142,144,145,152,240
2	0.01	3cmvD	0.275	6.99	0.042	0.491	0.23	ANP	complex2.pdb.gz	210,211,212,213,214,247
3	0.01	3rf3A	0.211	7.17	0.053	0.394	0.23	III	complex3.pdb.gz	166,180,239
4	0.01	1zvzA	0.212	7.18	0.041	0.404	0.20	III	complex4.pdb.gz	165,168,169,172,175,176
5	0.01	2gdcA	0.213	6.64	0.024	0.379	0.16	III	complex5.pdb.gz	138,139,142
6	0.01	3cmvA	0.285	6.97	0.051	0.509	0.16	ANP	complex6.pdb.gz	210,212,213,214
7	0.01	1rke1	0.182	5.67	0.071	0.283	0.22	III	complex7.pdb.gz	165,168,171,172,175,176,178,182
8	0.01	1n03A	0.225	6.76	0.051	0.398	0.21	ADP	complex8.pdb.gz	262,263,264,265,266
9	0.01	3cmtD	0.298	6.70	0.055	0.519	0.12	ALF	complex9.pdb.gz	263,264,267
10	0.01	1rkcA	0.226	7.15	0.031	0.419	0.14	III	complex10.pdb.gz	138,139,142,151,152,239

	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.