D-I-TASSER P61619

D-I-TASSER results for P61619

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

Summary of the Protein

Uniprot ID: P61619
Protein Name: Protein transport protein Sec61 subunit alpha isoform 1
Gene Name: SEC61A1

Input Sequence in FASTA format

>P61619 (476 residues)
MAIKFLEVIKPFCVILPEIQKPERKIQFKEKVLWTAITLFIFLVCCQIPLFGIMSSDSAD
PFYWMRVILASNRGTLMELGISPIVTSGLIMQLLAGAKIIEVGDTPKDRALFNGAQKLFG
MIITIGQSIVYVMTGMYGDPSEMGAGICLLITIQLFVAGLIVLLLDELLQKGYGLGSGIS
LFIATNICETIVWKAFSPTTVNTGRGMEFEGAIIALFHLLATRTDKVRALREAFYRQNLP
NLMNLIATIFVFAVVIYFQGFRVDLPIKSARYRGQYNTYPIKLFYTSNIPIILQSALVSN
LYVISQMLSARFSGNLLVSLLGTWSDTSSGGPARAYPVGGLCYYLSPPESFGSVLEDPVH
AVVYIVFMLGSCAFFSKTWIEVSGSSAKDVAKQLKEQQMVMRGHRETSMVHELNRYIPTA
AAFGGLCIGALSVLADFLGAIGSGTGILLAVTIIYQYFEIFVKEQSEVGSMGALLF

Predicted Contact and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

D-I-TASSER simulation is guided by the consensus contact map (left figure) and distance map (right figure) derived based on confidence scores of AttentionPotential. 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.

Information of Domain

No. of Domain	Domain	Domain Boundary	Length of Domain	Models of Domain	Sequence
1	P61619-D1	1-175	175		MAIKFLEVIKPFCVILPEIQKPERKIQFKEKVLWTAITLFIFLVCCQIPLFGIMSSDSADPFYWMRVILASNRGTLMELGISPIVTSGLIMQLLAGAKIIEVGDTPKDRALFNGAQKLFGMIITIGQSIVYVMTGMYGDPSEMGAGICLLITIQLFVAGLIVLLLDELLQKGYGL
2	P61619-D2	176-476	301		GSGISLFIATNICETIVWKAFSPTTVNTGRGMEFEGAIIALFHLLATRTDKVRALREAFYRQNLPNLMNLIATIFVFAVVIYFQGFRVDLPIKSARYRGQYNTYPIKLFYTSNIPIILQSALVSNLYVISQMLSARFSGNLLVSLLGTWSDTSSGGPARAYPVGGLCYYLSPPESFGSVLEDPVHAVVYIVFMLGSCAFFSKTWIEVSGSSAKDVAKQLKEQQMVMRGHRETSMVHELNRYIPTAAAFGGLCIGALSVLADFLGAIGSGTGILLAVTIIYQYFEIFVKEQSEVGSMGALLF

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.87

(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 AttentionPotential, 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	2wwbA	0.82	3.88	0.829	0.962	model1_2wwbA.pdb.gz
2	7kakA	0.81	3.63	0.658	0.935	model1_7kakA.pdb.gz
3	2ww9A	0.80	3.93	0.280	0.939	model1_2ww9A.pdb.gz
4	3kcrA	0.78	3.12	0.340	0.876	model1_3kcrA.pdb.gz
5	6n3qA	0.70	3.40	0.579	0.813	model1_6n3qA.pdb.gz
6	3mp7A	0.70	2.94	0.346	0.777	model1_3mp7A.pdb.gz
7	2akhY	0.67	3.54	0.162	0.767	model1_2akhY.pdb.gz
8	2zqpY	0.66	3.65	0.177	0.784	model1_2zqpY.pdb.gz
9	3dinC	0.60	4.24	0.154	0.735	model1_3dinC.pdb.gz
10	3dl8G3	0.27	3.59	0.160	0.317	model1_3dl8G3.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:0005215	0.53	transporter activity
GO:0044877	0.52	macromolecular complex binding
GO:0043022	0.51	ribosome 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:0006810	0.81	transport
GO:0015031	0.80	protein transport
GO:0006886	0.76	intracellular protein transport
GO:0009987	0.72	cellular process
GO:0045047	0.68	protein targeting to ER
GO:0008152	0.52	metabolic 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:0044464	1.00	cell part
GO:0044424	0.99	intracellular part
GO:0044444	0.98	cytoplasmic part
GO:0044422	0.79	organelle part
GO:0044446	0.78	intracellular organelle part
GO:0044425	0.70	membrane part
GO:0044432	0.66	endoplasmic reticulum part
GO:0016021	0.60	integral component of membrane
GO:0030176	0.57	integral component of endoplasmic reticulum membrane

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	1z0hB	0.243	6.67	0.053	0.374	3.4.24.69	NA
2	0.060	3btaA	0.343	7.25	0.045	0.565	3.4.24.69	NA
3	0.060	2fxhA	0.339	7.10	0.044	0.542	1.11.1.7 1.11.1.6	NA
4	0.060	2iukB	0.346	7.05	0.040	0.548	1.13.11.12	NA
5	0.060	1n63B	0.340	7.37	0.047	0.559	1.2.99.2	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	0.12	2wwbA	0.817	3.88	0.829	0.962	0.23	RQA	complex1.pdb.gz	42,43,159,179
2	0.01	1c3oA	0.365	6.73	0.039	0.569	0.19	ORN	complex2.pdb.gz	42,81,158
3	0.01	1ce8E	0.366	6.99	0.052	0.586	0.18	ADP	complex3.pdb.gz	41,42,43,81,82,156
4	0.01	1bxrA	0.367	7.05	0.038	0.590	0.11	ANP	complex4.pdb.gz	38,39,40,41,161,162,185
5	0.01	1a9xG	0.366	6.98	0.054	0.586	0.21	ADP	complex5.pdb.gz	43,80,180
6	0.01	1a9xA	0.366	6.92	0.050	0.582	0.13	ADP	complex6.pdb.gz	41,43,161,177,178
7	0.01	1a9xA	0.366	6.92	0.050	0.582	0.12	ADP	complex7.pdb.gz	80,81,177
8	0.01	1bxrA	0.367	7.05	0.038	0.590	0.10	ANP	complex8.pdb.gz	39,80,81,169,174
9	0.01	1bxrE	0.362	6.59	0.032	0.559	0.11	ANP	complex9.pdb.gz	37,40,179,180,189
10	0.01	1ce8E	0.366	6.99	0.052	0.586	0.17	IMP	complex10.pdb.gz	43,47,71,81

	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, Chengxin Zhang, Yang Li, Robin Pearce, Eric W. Bell, Yang Zhang. Folding non-homology proteins by coupling deep-learning contact maps with I-TASSER assembly simulations. In preparation, 2020.