D-I-TASSER P55107-D1

D-I-TASSER results for P55107-D1

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

Input Sequence in FASTA format

>P55107 (478 residues)
MAHVPARTSPGPGPQLLLLLLPLFLLLLRDVAGSHRAPAWSALPAAADGLQGDRDLQRHP
GDAAATLGPSAQDMVAVHMHRLYEKYSRQGARPGGGNTVRSFRARLEVVDQKAVYFFNLT
SMQDSEMILTATFHFYSEPPRWPRALEVLCKPRAKNASGRPLPLGPPTRQHLLFRSLSQN
TATQGLLRGAMALAPPPRGLWQAKDISPIVKAARRDGELLLSAQLDSEERDPGVPRPSPY
APYILVYANDLAISEPNSVAVTLQRYDPFPAGDPEPRAAPNNSADPRVRRAAQATGPLQD
NELPGLDERPPRAHAQHFHKHQLWPSPFRALKPRPGRKDRRKKGQEVFMAASQVLDFDEK
TMQKARRKQWDEPRVCSRRYLKVDFADIGWNEWIISPKSFDAYYCAGACEFPMPKIVRPS
NHATIQSIVRAVGIIPGIPEPCCVPDKMNSLGVLFLDENRNVVLKVYPNMSVDTCACR

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAHVPARTSPGPGPQLLLLLLPLFLLLLRDVAGSHRAPAWSALPAAADGLQGDRDLQRHPGDAAATLGPSAQDMVAVHMHRLYEKYSRQGARPGGGNTVRSFRARLEVVDQKAVYFFNLTSMQDSEMILTATFHFYSEPPRWPRALEVLCKPRAKNASGRPLPLGPPTRQHLLFRSLSQNTATQGLLRGAMALAPPPRGLWQAKDISPIVKAARRDGELLLSAQLDSEERDPGVPRPSPYAPYILVYANDLAISEPNSVAVTLQRYDPFPAGDPEPRAAPNNSADPRVRRAAQATGPLQDNELPGLDERPPRAHAQHFHKHQLWPSPFRALKPRPGRKDRRKKGQEVFMAASQVLDFDEKTMQKARRKQWDEPRVCSRRYLKVDFADIGWNEWIISPKSFDAYYCAGACEFPMPKIVRPSNHATIQSIVRAVGIIPGIPEPCCVPDKMNSLGVLFLDENRNVVLKVYPNMSVDTCACR
Prediction	CCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCHHHHCCCCCCHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCSSSSSCCCCCCCCCCSSSSSSCCCCCCCCSSSSSSSSSSCCCCCCCCCCCCSSSSSSCCCCCCCCCCCCCCSSSSSSSSCCCCCCCCCSSSSSSSSSCCCCCCCSSSSCHHHHHHHHCCCCSSSSSSSSCCCCCCCCCCCCCCCCSSSSSSCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCSSSSCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSSSHHHCCCCCSSSCCCCCSSSCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCCCSCCCCCCCSSSSSSSCCCCSSSSSCCCSSSSCCCCC
Confidence	9988776677864247899999999986345777778655556312320013465323544323478998766510899999999713789888897797515766667884389997578998651789999876167665444653135531134334567776412456654226787655426533565216777527985089877652167527999995066665423677887448987336556773111111211466667886422233344443034302222111233343022123333333223344455643224556541110224563210001346753111343443346778871788899736773888615169961323013557888655678763124444555317777888743245422436899996899399998089186212159
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAHVPARTSPGPGPQLLLLLLPLFLLLLRDVAGSHRAPAWSALPAAADGLQGDRDLQRHPGDAAATLGPSAQDMVAVHMHRLYEKYSRQGARPGGGNTVRSFRARLEVVDQKAVYFFNLTSMQDSEMILTATFHFYSEPPRWPRALEVLCKPRAKNASGRPLPLGPPTRQHLLFRSLSQNTATQGLLRGAMALAPPPRGLWQAKDISPIVKAARRDGELLLSAQLDSEERDPGVPRPSPYAPYILVYANDLAISEPNSVAVTLQRYDPFPAGDPEPRAAPNNSADPRVRRAAQATGPLQDNELPGLDERPPRAHAQHFHKHQLWPSPFRALKPRPGRKDRRKKGQEVFMAASQVLDFDEKTMQKARRKQWDEPRVCSRRYLKVDFADIGWNEWIISPKSFDAYYCAGACEFPMPKIVRPSNHATIQSIVRAVGIIPGIPEPCCVPDKMNSLGVLFLDENRNVVLKVYPNMSVDTCACR
Prediction	7461412212011000000000000000020213234544432442454145445245234544564615454300400240053117656435400000002135441644210101023035513011000100244253334241223333444423333243322221002203453443421322232234643203122014103433443201000203245443334332411000001032342443430222043343144543444333434444334233323222344425314432453434324445234432443444445553554646433433432424453244324554656430222502020440334300110430201001120111134414222101121122234144411310001240220100001574402244155010540618
	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                 400                 420                 440                 460

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

SS
Seq

CCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCHHHHCCCCCCHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCSSSSSCCCCCCCCCCSSSSSSCCCCCCCCSSSSSSSSSSCCCCCCCCCCCCSSSSSSCCCCCCCCCCCCCCSSSSSSSSCCCCCCCCCSSSSSSSSSCCCCCCCSSSSCHHHHHHHHCCCCSSSSSSSSCCCCCCCCCCCCCCCCSSSSSSCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCSSSSCCCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSSSHHHCCCCCSSSCCCCCSSSCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCCCSCCCCCCCSSSSSSSCCCCSSSSSCCCSSSSCCCCC
MAHVPARTSPGPGPQLLLLLLPLFLLLLRDVAGSHRAPAWSALPAAADGLQGDRDLQRHPGDAAATLGPSAQDMVAVHMHRLYEKYSRQGARPGGGNTVRSFRARLEVVDQKAVYFFNLTSMQDSEMILTATFHFYSEPPRWPRALEVLCKPRAKNASGRPLPLGPPTRQHLLFRSLSQNTATQGLLRGAMALAPPPRGLWQAKDISPIVKAARRDGELLLSAQLDSEERDPGVPRPSPYAPYILVYANDLAISEPNSVAVTLQRYDPFPAGDPEPRAAPNNSADPRVRRAAQATGPLQDNELPGLDERPPRAHAQHFHKHQLWPSPFRALKPRPGRKDRRKKGQEVFMAASQVLDFDEKTMQKARRKQWDEPRVCSRRYLKVDFADIGWNEWIISPKSFDAYYCAGACEFPMPKIVRPSNHATIQSIVRAVGIIPGIPEPCCVPDKMNSLGVLFLDENRNVVLKVYPNMSVDTCACR

5ntuA

0.19

0.12

3.85

1.30

CEthreader

----------------------------------QNTKSSRIEAIKIQILSKLRLETAPNISKDVIRQLLPKAPPLRELIDQYDED---DDYHATTETIITMPTEKC-------CFFKFSSKIQYNKVVKAQLWIYLRPV----------------------ETPTTVFVQILRLIKPMKDGTRYTGIRSLKLDMNPGGIWQSIDVKTVLQNWLAAPASNLGIEIKALDENGHDLAVTFLNPFLEVKVTDTPKRSRRDF--------------------------------------------------------------------------------------------------------GLDCDEHSTESRCCRYPLTVDFEAFGWD-WIIAPKRYKANYCSGECEF---VFLAAYPHTHLVHQAN----PRGSAGPCCTPTKMSPINMLYFNGKEQIIYGKIPAMVVDRCGCS

3rjrA

0.12

0.07

2.60

1.13

EigenThreader

--LSTSKTIDMELVKRKRIEAIRGQILSKLRLASPPSQG---------------------------DVPPGPLPEAVLALYNSTRDRVAPEADYYAKEVTRVLMVEFKGTPHSLYMLFNEAVPEPVLLSRAELRLLRLK--------------------------LKVEQHVELYQKYSQDS--WRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRIEGFRLSAHNGDLA----TIHGMNRPFLLLMATPLERAQHA------------------------------------------------------------------------------------------------LDTNYC----------FSSTEKNCCVRQIDFRKDLGWK-WIHEPKGYHANFPCP----YIWSLDTQYSKVLALY------NQHNPGASAAPCCQALEPLPIVYYVGRKPKVEQLSNMIVRSC--K

3rjrA

0.17

0.11

3.58

2.07

FFAS-3D

----PLSTTIDMELVKRKRIEAIRGQILSKLRLASP-------P---------------------SQGDVPPGPLPEAVLALYNSTRDRVAGEPEADYYAKEVTRVLMVEHSLYMLFNTSAVPEPVLLSRAELRLLRLKLK-------------------------VEQHVELYQKYSQDS---WRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRREAIEGFRLSAHCNGDLATIHGMNRPFLLLMATP-----------------------------------------------------------------------------------------------LERAQHALDTNYCFS----------STEKNCCVRQLYIDFRKDLGWKWIHEPKGYHANFCLGPCPYIWSLD---TQYSKVLALYNQHN-PGASAAPCCVPQALEPLPIVYYVGRKPKV-EQLSNMIVRSCKC-

3rjrA

0.17

0.11

3.53

2.22

SPARKS-K

--------------------------PLSTSKTIDMELVKRKRIEAIRGQILSKLRLASPPSQGDVPPGPL----PEAVLALYNSTRDRPEADYYAKEVTRVLMVESGTPHSLYMLFNTSEVPEPVLLSRAELRLLRLKLKVE-------------------------QHVELYQKYSQDS---WRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRREEGFRLSAHCSCNGDLATIHGMNRPFLLLMATP----------------------------------------------------------------LERAQHALDTNYCFS-----------------------------------------STEKNCCVRQLYIDFRDLGW-KWIHEPKGYHANFCLGPCPYIW--SLD-TQYSKVLALYNQHNPGAS-AAPCCVPQALEPLPIVYYVGRK-PKVEQLSNMIVRSCKCS

5hlyA

0.20

0.12

3.82

2.86

CNFpred

-------------PEMVEAVKKHILNMLH----------LKKRPDVTQPVPKAALLNAIRKLHVGKVGENGYVEIEDDIGRRAEMNELM----EQTSEIITFAESGT---ARKTLHFEISKESDLSVVERAEVWLFLKVPKANRTR--------------------TKVTIRLFQQQK---ERSELLLSEKVVDAR-KSTWHVFPVSSSIQRLLDQGKSSLDVRIACEQCASLVL-EQSHRPFLMLQARQS------------------------------------------------------------------------------------------------------------------GLECDGKVNICCKKQFFVSFKDIGWNDWIIAPSGYHANYCEGECPSHIA----------------------ANLKSCCVPTKLRPMSMLYYDDGQNIIKKDIQNMIVEECGCS

6bcuA

0.05

0.03

1.58

0.67

DEthreader

LN-------SSMNPAFVMPFLRKML--------------------RMLHLVSNAPELAQGMVLVTYVVEPYRKYPTLL----------------------------TRREAIRVGLLGA-LD---------H---I--I-QSLSH-KDDLEWLRRLSLEAQAYNPMRIAEDTHDFYAVLALHQACIARLLDAELTA-AGESYRAYGA-MV--S----HMLSELE------------------GCQRIVCKSGRLAMKNMWK---M-HFVQTQQQAQHIHKQELHKLMRCFLKLGEWQLNL--I-KVLQYYSAATEHDRSWYKAWHAWVSSNNLQDLQVIPQAYPLVASIAI-EMEGLEEASRLG---------------VMLFGLVNTLLANPLRNLSIVMVILGFEVM--------HKDSVMAVLEAFVY--DPLLNAIIIVRKLTG-------------------P-QVELL----

5ntuA

0.19

0.12

3.71

1.58

MapAlign

--------------NTKSSRIEAIKIQILSKLRLETA--------------------------PNISKDVIRQLLPKPPLRELIDQYDEDDDYHATTETIITMPT------EKCCFFKFSSKIQYNKVVKAQLWIYLRPV------------------------ETPTTVFVQILRLIKPMGTRYTGIRSLKLDMPGTGIWQSIDVKTVLQNWLAASNLGIEIKALDENGHDLAVGEDGLNPFLEVKVTDTPKR--------------------------------------------------------------------------------------------------------SRRDFGLDCDEHSTESRCCRYPLTVDFEAFGWD-WIIAPKRYKANYCSGEC---------------EFVFLAAYPHTHLVHQPCCTPTKMSPINMLYFNGKEQIIYGKIPAMVVDRCGCS

5ntuA

0.22

0.13

4.16

1.35

MUSTER

-------------------------------------------QNTKSSRIEA--LETAPISKDVIRQLLPKAPPLRELIDQYD---EDDDYHATTETIITMPTEKC-------CFFKFSSKIQYNKVVKAQLWIYLRPVETP----------------------TTVFVQILRLIKPMKDGTRYTGIRSLKLDMPGTGIWQSIDVKTVLQNWLAAPALGIEIKALDENGHDPGPGEDGLNPFLEVKV---------------------------------TDTPKRSRRDF-----------------------------------------------------------------------GLDCDEHSTESRCCRYPLTVDFEAFGW-DWIIAPKRYKANYCSGECEFVF---LAAYPHTH---LVHQANPR-GSAGPCCTPTKMSPINMLYFNGKEQIIYGKIPAMVVDRCGCS

3rjrA

0.16

0.10

3.40

4.36

HHsearch

-----------------------------------PLSTSKTIDEAIRGQILSKLRLASPPSQGD----VPPGPLPEAVLALYNSTRDRVEADYYAKEVTRVLMVESGTPHSLYMLFNTSELREPVLLSRAELRLLRLKLK---------------VEQHV-------ELYQKYS------QDSWRYLSNRLLAPSDSPEWLSFDVTGVVRQWLTRRIFRLSAHCSCDSKHVEINIHGMNRPFLLLMATPLER----------------------------------AQH--------------------------------------------------ALDTN---------------------YCFSSTEKNCCVRQLYIDFKDLGW-KWIHEPKGYHANFCLGPCPYIWSLD---TQYSKVLALYNQHNPG-ASAAPCCVPQALEPLPIVYYVGRK-PKVEQLSNMIVRSCKCS

5hlyA

0.14

0.09

2.92

1.02

CEthreader

---------------------QPEVEAVKKHILNLHLKKRPDVTQPVPKAALLNAIRKLHVGKVGENGYVEIEDDIGRRAE---------NELEQTSEIITFAESG---TARKTLHFEISKEGDLSVVERAEVWLFLKVP-------------------KANRTRTKVTIRLFQQQKHERSEL----LLSEKVVDARKSTWHVFPVSSSIQRLLDKSSLDVRIACEQCQESGASLVLLGE-------------------------------------------------------------------------------------------------------------EKEQSHRPFLLQARQSGLECDGKVNICCKKQFFVSFKDIGWNDWIIAPSGYHANYCEGECPSHIA----------------------ANLKSCCVPTKLRP--SLYYDDGQNIIKKDIQN-IVEECGCS

(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	0.681

(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	7eimA	0.38	7.28	0.057	0.617	model1_7eimA.pdb.gz
2	6fb3A	0.36	7.28	0.038	0.582	model1_6fb3A.pdb.gz
3	7eddA	0.35	7.35	0.049	0.567	model1_7eddA.pdb.gz
4	2y26A	0.34	6.53	0.071	0.513	model1_2y26A.pdb.gz
5	8bc8B	0.33	7.43	0.037	0.550	model1_8bc8B.pdb.gz
6	5h3zA	0.33	7.39	0.036	0.550	model1_5h3zA.pdb.gz
7	1a6cA	0.33	6.24	0.054	0.492	model1_1a6cA.pdb.gz
8	6uebA	0.33	7.33	0.037	0.540	model1_6uebA.pdb.gz
9	5mqrA	0.33	7.54	0.042	0.559	model1_5mqrA.pdb.gz
10	6ar6A	0.33	7.38	0.024	0.542	model1_6ar6A.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:0005102	0.98	receptor binding
GO:0005160	0.95	transforming growth factor beta receptor binding
GO:0005125	0.85	cytokine 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	0.99	biological regulation
GO:0050789	0.99	regulation of biological process
GO:0050794	0.98	regulation of cellular process
GO:0044699	0.96	single-organism process
GO:0032502	0.92	developmental process
GO:0048518	0.91	positive regulation of biological process
GO:0044767	0.91	single-organism developmental process
GO:0009987	0.91	cellular process
GO:0080090	0.90	regulation of primary metabolic process
GO:0060255	0.90	regulation of macromolecule metabolic process
GO:0048522	0.90	positive regulation of cellular process
GO:0044763	0.90	single-organism cellular process
GO:0031323	0.90	regulation of cellular metabolic process
GO:0007165	0.89	signal transduction
GO:0048583	0.88	regulation of response to stimulus
GO:0031325	0.88	positive regulation of cellular metabolic process
GO:0010604	0.88	positive regulation of macromolecule metabolic process
GO:0023051	0.86	regulation of signaling
GO:0010646	0.86	regulation of cell communication
GO:0051246	0.85	regulation of protein metabolic process
GO:0048869	0.85	cellular developmental process
GO:0009967	0.85	positive regulation of signal transduction
GO:0048856	0.84	anatomical structure development
GO:0001934	0.84	positive regulation of protein phosphorylation
GO:0043408	0.82	regulation of MAPK cascade
GO:0090100	0.80	positive regulation of transmembrane receptor protein serine/threonine kinase signaling pathway
GO:0042981	0.80	regulation of apoptotic process
GO:0010862	0.79	positive regulation of pathway-restricted SMAD protein phosphorylation
GO:0060395	0.77	SMAD protein signal transduction
GO:0048468	0.74	cell development
GO:0010556	0.74	regulation of macromolecule biosynthetic process
GO:0007166	0.73	cell surface receptor signaling pathway
GO:0007178	0.72	transmembrane receptor protein serine/threonine kinase signaling pathway
GO:0031326	0.70	regulation of cellular biosynthetic process
GO:0006355	0.69	regulation of transcription, DNA-templated
GO:0006357	0.63	regulation of transcription from RNA polymerase II promoter
GO:0030509	0.55	BMP signaling pathway

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:0044421	0.98	extracellular region part
GO:0005615	0.93	extracellular space
GO:0044464	0.64	cell 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	2pffB	0.207	7.96	0.039	0.362	2.3.1.86	NA
2	0.060	2j5wA	0.315	7.61	0.022	0.538	1.16.3.1	NA
3	0.060	2vz9B	0.298	7.37	0.056	0.492	2.3.1.85	NA
4	0.060	1n1hA	0.308	7.85	0.054	0.542	2.7.7.48	NA
5	0.060	3kvnX	0.285	7.49	0.044	0.481	3.1.1.1	263

	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	3qdeA	0.321	7.64	0.028	0.540	0.18	UUU	complex1.pdb.gz	384,390,394,396,453
2	0.01	1a9x1	0.300	7.81	0.047	0.517	0.25	III	complex2.pdb.gz	389,390,392,393
3	0.01	1t36A	0.318	7.86	0.057	0.548	0.17	U	complex3.pdb.gz	405,447,470
4	0.01	1ce8G	0.303	7.80	0.037	0.523	0.20	IMP	complex4.pdb.gz	382,449,450,451
5	0.01	1bxrE	0.300	7.73	0.053	0.513	0.10	ANP	complex5.pdb.gz	254,396,451,466,467
6	0.01	2x2iA	0.320	7.51	0.027	0.548	0.19	QPS	complex6.pdb.gz	390,395,401,402
7	0.01	1bxrC	0.301	7.84	0.037	0.521	0.13	ANP	complex7.pdb.gz	381,388,451,470
8	0.01	1ce8E	0.309	7.53	0.032	0.523	0.17	IMP	complex8.pdb.gz	387,389,390,466
9	0.01	1bxrA	0.317	7.43	0.044	0.523	0.11	ANP	complex9.pdb.gz	389,390,398,399,451,469

	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.