I-TASSER results

I-TASSER results for job id Rv2462c

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

Input Sequence in FASTA format

>protein (466 residues)
MKSTVEQLSPTRVRINVEVPFAELEPDFQRAYKELAKQVRLPGFRPGKAPAKLLEARIGR
EAMLDQIVNDALPSRYGQAVAESDVQPLGRPNIEVTKKEYGQDLQFTAEVDIRPKISPPD
LSALTVSVDPIEIGEDDVDAELQSLRTRFGTLTAVDRPVAVGDVVSIDLSATVDGEDIPN
AAAEGLSHEVGSGRLIAGLDDAVVGLSADESRVFTAKLAAGEHAGQEAQVTVTVRSVKER
ELPEPDDEFAQLASEFDSIDELRASLSDQVRQAKRAQQAEQIRNATIDALLEQVDVPLPE
SYVQAQFDSVLHSALSGLNHDEARFNELLVEQGSSRAAFDAEARTASEKDVKRQLLLDAL
ADELQVQVGQDDLTERLVTTSRQYGIEPQQLFGYLQERNQLPTMFADVRRELAIRAAVEA
ATVTDSDGNTIDTSEFFGKRVSAGEAEEAEPADEGAARAASDEATT

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MKSTVEQLSPTRVRINVEVPFAELEPDFQRAYKELAKQVRLPGFRPGKAPAKLLEARIGREAMLDQIVNDALPSRYGQAVAESDVQPLGRPNIEVTKKEYGQDLQFTAEVDIRPKISPPDLSALTVSVDPIEIGEDDVDAELQSLRTRFGTLTAVDRPVAVGDVVSIDLSATVDGEDIPNAAAEGLSHEVGSGRLIAGLDDAVVGLSADESRVFTAKLAAGEHAGQEAQVTVTVRSVKERELPEPDDEFAQLASEFDSIDELRASLSDQVRQAKRAQQAEQIRNATIDALLEQVDVPLPESYVQAQFDSVLHSALSGLNHDEARFNELLVEQGSSRAAFDAEARTASEKDVKRQLLLDALADELQVQVGQDDLTERLVTTSRQYGIEPQQLFGYLQERNQLPTMFADVRRELAIRAAVEAATVTDSDGNTIDTSEFFGKRVSAGEAEEAEPADEGAARAASDEATT
Prediction	CCEEEEEHCCCEEEEEEEHCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCEEEEEEEEHCCCCCCCCCCCCEEEEHCCCCCHHHHHHHHHHHHHHHCCEEHCCCCCCCCCEEEEEEEEEHCCEHCCCCCCCCEEEEHCCCCCCCHHHHHHHCCCCCEEEEEHCCCCCCCCCCCEEEEEEEEEEEEEHCCCCCCHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHCEEEHCCCCCCCHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCCCCC
Conf.Score	9579998589889999998899999999999999998567899899989899999975989999999999999999999999899656689887654689987899999998788656887875898856668999999999999999695676554555696899999999888557887656679998798777568988647899969999677887555996589999998887645888998999987787899999999999999999999999999999999999889999999999999999999999999879999999987599999999999999999999999999999998999999999999999999979999999999986658999999999999999999977678768875688897656544555556666666554555555689
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MKSTVEQLSPTRVRINVEVPFAELEPDFQRAYKELAKQVRLPGFRPGKAPAKLLEARIGREAMLDQIVNDALPSRYGQAVAESDVQPLGRPNIEVTKKEYGQDLQFTAEVDIRPKISPPDLSALTVSVDPIEIGEDDVDAELQSLRTRFGTLTAVDRPVAVGDVVSIDLSATVDGEDIPNAAAEGLSHEVGSGRLIAGLDDAVVGLSADESRVFTAKLAAGEHAGQEAQVTVTVRSVKERELPEPDDEFAQLASEFDSIDELRASLSDQVRQAKRAQQAEQIRNATIDALLEQVDVPLPESYVQAQFDSVLHSALSGLNHDEARFNELLVEQGSSRAAFDAEARTASEKDVKRQLLLDALADELQVQVGQDDLTERLVTTSRQYGIEPQQLFGYLQERNQLPTMFADVRRELAIRAAVEAATVTDSDGNTIDTSEFFGKRVSAGEAEEAEPADEGAARAASDEATT
Prediction	7614255276241303030337403610450045017505141134452025103631345202430044004500440056471410130514355256733020102020204140751650505356150436303520540264225245464414542201120303255561653545614130356511630463024223635140426055542563605040304303434425133400440373631650154025303641454134401530041017516160045004500440154026405547242541154473436403541363025202130003200653705143740352045107627341640252047572254034302241004101740504346454441551156656555556556465565555666558
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Normalized B-facotr

(B-factor is a value to indicate the extent of the inherent thermal mobility of residues/atoms in proteins. In I-TASSER, this value is deduced from threading template proteins from the PDB in combination with the sequence profiles derived from sequence databases. The reported B-factor profile in the figure below corresponds to the normalized B-factor of the target protein, defined by B=(B'-u)/s, where B' is the raw B-factor value, u and s are respectively the mean and standard deviation of the raw B-factors along the sequence. (Click here to read more about predicted normalized B-factor)

Top 10 threading templates used by I-TASSER

Rank

PDB
Hit

Iden1

Iden2

Cov

Norm.
Zscore

Download
Align.

                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260                 280                 300                 320                 340                 360                 380                 400                 420                 440                 460

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

Sec.Str
Seq

CCEEEEEHCCCEEEEEEEHCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCEEEEEEEEHCCCCCCCCCCCCEEEEHCCCCCHHHHHHHHHHHHHHHCCEEHCCCCCCCCCEEEEEEEEEHCCEHCCCCCCCCEEEEHCCCCCCCHHHHHHHCCCCCEEEEEHCCCCCCCCCCCEEEEEEEEEEEEEHCCCCCCHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHCEEEHCCCCCCCHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCCCCC
MKSTVEQLSPTRVRINVEVPFAELEPDFQRAYKELAKQVRLPGFRPGKAPAKLLEARIGREAMLDQIVNDALPSRYGQAVAESDVQPLGRPNIEVTKKEYGQDLQFTAEVDIRPKISPPDLSALTVSVDPIEIGEDDVDAELQSLRTRFGTLTAVDRPVAVGDVVSIDLSATVDGEDIPNAAAEGLSHEVGSGRLIAGLDDAVVGLSADESRVFTAKLAAGEHAGQEAQVTVTVRSVKERELPEPDDEFAQLASEFDSIDELRASLSDQVRQAKRAQQAEQIRNATIDALLEQVDVPLPESYVQAQFDSVLHSALSGLNHDEARFNELLVEQGSSRAAFDAEARTASEKDVKRQLLLDALADELQVQVGQDDLTERLVTTSRQYGIEPQQLFGYLQERNQLPTMFADVRRELAIRAAVEAATVTDSDGNTIDTSEFFGKRVSAGEAEEAEPADEGAARAASDEATT

3gtyX

0.17

0.15

0.88

2.91

MUSTER

MEVKELERDKNRVVLEYVFGAEEIAQAEDKAVRYLNQRVEIPG--KGRIPKNVLKMKLGE--EFQEYTLDFLMDLIPDTLKDRKL--ILSPIVTERELKDV-TARVVVEVHEEPEVRIGDISKIEVEKVDEEVLEKYVERRIEDLRESHALLEPKEGPAEAGDLVRVNMEVYNEE--GKKLTSREYEYVISEDEDRP-FVKDLVGKKKGDVVEIEREY-----EGKKYTYKLEVEEVYKRTLPEIGDELAKSVNEFETLEQLKESLKKEGKEIYDVEMKESMREQLLEKLPEIVEIEISDRTLEILVNEAINRLKREGRYEQIVSS------YESEEKFREELKERILDDIKRDRVIEVLAQEKGISVNDEELEKEAEELAPFWGISPDRAKSLVKARQLREELRWAILKRKVLDLLLQEVKVKVVEPKG------------------------------------

1w26A

0.20

0.18

0.89

4.27

dPPAS

-QVSVETTQGLGRRVTITIAADSIETAVKSELVNVAKKVRIDGFRKGKVP-NIVAQRY-GASVRQDVLGDLSRNFIDAIIKEK-INPAGAPTYVPGEYKLGEDFTYSVEFEVYPEVELQGLEAIEVEKPIVEVT-DADVDGLDTLRKQQATWKEKDGAVEAEDRVTIDFTGSVDGEEFEGGKA--SDFVLAGQGRIPGFEDGIKGHKAGEEFTIDVEYHAENLKGKAAKFAINLKKVEERELPELTAEFIKRFGVEDGSVEGLRAEVRKNERELKSAIRNRVKSQAIEGLVKANDIDVPAALIDSEIDVLRRQAAQRFGGNE----------KQALELPRELFEEQAKRRVVVGLLLGEVIRTNELKADEERVKGLIEEASA--YEDPKEVIEFYSKNKELD-NRNVALEEQAVEAVLAKAKVTEKETTFNEL---NQQA--------------------------

1w26A

0.20

0.18

0.89

5.76

wdPPAS

-QVSVETTQGLGRRVTITIAADSIETAVKSELVNVAKKVRIDGFRKGKVP-NIVAQRY-GASVRQDVLGDLSRNFIDAIIKEK-INPAGAPTYVPGEYKLGEDFTYSVEFEVYPEVELQGLEAIEVEKPIVEVTDADVDGLDTLRKQQ--TWKEKDGAVEAEDRVTIDFTGSVDGEEFEGGKA--SDFVLAGQGRIPGFEDGIKGHKAGIDVTFPEEYHAENLKGKAAKFAINLKKVEERELPELTAEFIKRFGVEDGSVEGLRAEVRKNERELKSAIRNRVKSQAIEGLVKANDIDVPAALIDSEIDVLRRQAAQRFGGNE----------KQALELPRELFEEQAKRRVVVGLLLGEVIRTNELKADEERVKGLIEEASAYE--DPKEVIEFYSKNKEL-DNRNVALEEQAVEAVLAKAKVTEKETTFNEL---NQQA--------------------------

1w26A

0.20

0.18

0.89

3.62

wMUSTER

--VSVETTQGLGRRVTITIAADSIETAVKSELVNVAKKVRIDGFRKGKVP-NIVAQRY-GASVRQDVLGDLSRNFIDAIIKEK-INPAGAPTYVPGEYKLGEDFTYSVEFEVYPEVELQGLEAIEVEKPIVEVTDADVDGLDTLRKQQA-TWKEKDGAVEAEDRVTIDFTGSVDGEEFEGGKA--SDFVLAGQGRIPGFEDGIKGHKAGEEFTIDVEYHAENLKGKAAKFAINLKKVEERELPELTAEFIKRFGVEDGSVEGLRAEVRKNERELKSAIRNRVKSQAIEGLVKANDIDVPAALIDSEIDVLRRQAAQRFGGNE----------KQALELPRELFEEQAKRRVVVGLLLGEVIRTNELKADEERVKGLIEEASAYE--DPKEVIEFYSKNKEL-DNRNVALEEQAVEAVLAKAKVTEKETTFNEL---NQQA--------------------------

1w26A

0.20

0.18

0.89

4.71

wPPAS

-QVSVETTQGLGRRVTITIAADSIETAVKSELVNVAKKVRIDGFRKGKVP-NIVAQRY-GASVRQDVLGDLSRNFIDAIIKEK-INPAGAPTYVPGEYKLGEDFTYSVEFEVYPEVELQGLEAIEVEKPIVEVTDADVDGLDTLRKQQ--TWKEKDGAVEAEDRVTIDFTGSVDGEEFEGGKA--SDFVLAGQGRIPGFEDGIKGHKAGEEFTID-EYHAENLKGKAAKFAINLKKVEERELPELTAEFIKRFGVEDGSVEGLRAEVRKNERELKSAIRNRVKSQAIEGLVKANDIDVPAALIDSEIDVLRRQAAQRFGGNE----------KQALELPRELFEEQAKRRVVVGLLLGEVIRTNELKADEERVKGLIEEASAYE--DPKEVIEFYSKNKEL-DNRNVALEEQAVEAVLAKAKVTEKETTFNEL---NQQA--------------------------

3gtyX

0.17

0.15

0.88

8.50

dPPAS2

MEVKELERDKNRVVLEYVFGAEEIAQAEDKAVRYLNQRVEIPG--KGRIPKNVLKMKLGE--EFQEYTLDFLMDLIPDTLKDRKL--ILSPIVTERELKDV-TARVVVEVHEEPEVRIGDISKIEVEKVDEKVLEKYVERRIEDLRESHALLEPKEGPAEAGDLVRVNMEVYNEE--GKKLTSREYEYVISEDEDRP-FVKDLVGKKKGDVVEIEREY-----EGKKYTYKLEVEEVYKRTLPEIGDELAKSVNEFETLEQLKESLKKEGKEIYDVEMKESMREQLLEKLPEIVEIEISDRTLEILVNEAINRLKRE------GRYEQIVSSYESEEKFREELKERILDDIKRDRVIEVLAQEKGISVNDEELEKEAEELAPFWGISPDRAKSLVKARQLREELRWAILKRKVLDLLLQEVKVKVVEPKG------------------------------------

3gtyX

0.17

0.15

0.88

4.41

PPAS

MEVKELERDKNRVVLEYVFGAEEIAQAEDKAVRYLNQRVEIPG--KGRIPKNVLKMKLGE--EFQEYTLDFLMDLIPDTLKDRK--LILSPIVTERELKDV-TARVVVEVHEEPEVRIGDISKIEVEKVDEKVLEKYVERRIEDLRESHALLEPKEGPAEAGDLVRVNMEVYNEE--GKKLTSREYEYVISEDEDRP-FVKDLVGKKKGDVVEIEREY-----EGKKYTYKLEVEEVYKRTLPEIGDELAKSVNEFETLEQLKESLKKEGKEIYDVEMKESMREQLLEKLPEIVEIEISDRTLEILVNEAINRLKREGRYEQIVSS------YESEEKFREELKERILDDIKRDRVIEVLAQEKGISVNDEELEKEAEELAPFWGISPDRAKSLVKARQLREELRWAILKRKVLDLLLQEVKVKVVEPKG------------------------------------

3gtyX

0.18

0.15

0.88

6.62

Env-PPAS

MEVKELERDKNRVVLEYVFGAEEIAQAEDKAVRYLNQRVEIPG--KGRIPKNVLKMKLGE--EFQEYTLDFLMDLIPDTLKDRKL--ILSPIVTERE-LKDVTARVVVEVHEEPEVRIGDISKIEVEKVDEEVLEKYVERRIEDLRESHALLEPKEGPAEAGDLVRVNMEVYNEE--GKKLTSREYEYVISEDEDRP-FVKDLVGKKKGDVVEIEREY-----EGKKYTYKLEVEEVYKRTLPEIGDELAKSVNEFETLEQLKESLKKEGKEIYDVEMKESMREQLLEKLPEIVEIEISDRTLEILVNEAINRLKREG------RYEQIVSSYESEEKFREELKERILDDIKRDRVIEVLAQEKGISVNDEELEKEAEELAPFWGISPDRAKSLVKARQLREELRWAILKRKVLDLLLQEVKVKVVEPKG------------------------------------

1w26A

0.20

0.18

0.89

2.90

MUSTER

-QVSVETTQGLGRRVTITIAADSIETAVKSELVNVAKKVRIDGFRKGKVP-NIVAQRY-GASVRQDVLGDLSRNFIDAIIKEK-INPAGAPTYVPGEYKLGEDFTYSVEFEVYPEVELQGLEAIEVEKPIVEVT-DADVDGLDTLRKQQATWKEKDGAVEAEDRVTIDFTGSVDGEEFEGGKASDFVLA--GQGRIPGFEDGIKGHKAGEEFTIDVTFPEENLKGKAAKFAINLKKVEERELPELTAEFIKRFGVEDGSVEGLRAEVRKNERELKSAIRNRVKSQAIEGLVKANDIDVPAALIDSEIDVLRRQAAQRFGGNE----------KQALELPRELFEEQAKRRVVVGLLLGEVIRTNELKADEERVKGLIEEASA--YEDPKEVIEFYSKNKEL-DNRNVALEEQAVEAVLAKAKVTEKETTFNEL---NQQA--------------------------

3gtyX

0.17

0.15

0.88

4.27

dPPAS

MEVKELERDKNRVVLEYVFGAEEIAQAEDKAVRYLNQRVEIPG--KGRIPKNVLKMKLGE--EFQEYTLDFLMDLIPDTLKDRKL--ILSPIVTERELKDV-TARVVVEVHEEPEVRIGDISKIEVEKVDEKVLEKYVERRIEDLRESHALLEPKEGPAEAGDLVRVNMEVYNEE--GKKLTSREYEYVISEDEDRP-FVKDLVGKKKGDVVEIEREY-----EGKKYTYKLEVEEVYKRTLPEIGDELAKSVNEFETLEQLKESLKKEGKEIYDVEMKESMREQLLEKLPEIVEIEISDRTLEILVNEAINRLKRE------GRYEQIVSSYESEEKFREELKERILDDIKRDRVIEVLAQEKGISVNDEELEKEAEELAPFWGISPDRAKSLVKARQLREELRWAILKRKVLDLLLQEVKVKVVEPKG------------------------------------

(a)	Iden1 is the number of template residues identical to query divided by number of aligned residues.
(b)	Iden2 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.
(e)	Download Align. list the threading program used to identify the template provide the 3D structure of aligned regions of threading templates.

Top 5 final models predicted by I-TASSER

(For each target, I-TASSER simulations generate a large ensemble of structural conformations, called decoys. To select the final models, I-TASSER uses the SPICKER program to cluster all the decoys based on the pair-wise structure similarity, and reports up to five models which corresponds to the five largest structure clusters. The confidence of each model is quantitatively measured by C-score that is calculated based on the significance of threading template alignments and the convergence parameters of the structure assembly simulations. C-score is typically in the range of [-5, 2], where a C-score of higher value signifies a model with a high confidence and vice-versa. TM-score and RMSD are estimated based on C-score and protein length following the correlation observed between these qualities. Since the top 5 models are ranked by the cluster size, it is possible that the lower-rank models have a higher C-score in rare cases. Although the first model has a better quality in most cases, it is also possible that the lower-rank models have a better quality than the higher-rank models as seen in our benchmark tests. If the I-TASSER simulations converge, it is possible to have less than 5 clusters generated. This is usually an indication that the models have a good quality because of the converged simulations.)

More about C-score

Local structure accuracy of first model

Download Model 1

C-score=-0.23

Estimated TM-score = 0.68±0.12

Estimated RMSD = 7.7±4.3Å

Download Model 2

C-score=-1.30

Download Model 3

C-score=-1.73

Download Model 4

C-score=-2.60

Download Model 5

C-score=-2.90

Proteins structureally close to the target in PDB (as identified by TM-align

(After the structure assembly simulation, I-TASSER uses the TM-align structural alignment program to match the first I-TASSER model to all structures in the PDB library. This section reports the top 10 proteins from the PDB that have the closest structural similarity, i.e. the highest TM-score, to the predicted I-TASSER model. Due to the structural similarity, these proteins often have similar function to the target. However, users are encouraged to use the data in the next section 'Predicted function using COACH' to infer the function of the target protein, since COACH has been extensively trained to derive biological functions from multi-source of sequence and structure features which has on average a higher accuracy than the function annotations derived only from the global structure comparison.)

Top 10 Identified stuctural analogs in PDB

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov
1	3gtyX	0.852	1.42	0.166	0.878
2	1w26A	0.505	4.86	0.112	0.648
3	4zhjA	0.340	6.60	0.058	0.519
4	3jbrA	0.331	6.77	0.039	0.519
5	3ttoA	0.328	7.85	0.022	0.571
6	1kitA	0.325	7.15	0.049	0.526
7	1wygA	0.322	6.83	0.036	0.500
8	4f1nA	0.322	7.38	0.031	0.541
9	2cseW	0.317	6.98	0.023	0.509
10	5awhA	0.316	6.97	0.069	0.511

(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 function using COACH

(This section reports biological annotations of the target protein by COACH based on the I-TASSER structure prediction. COACH is a meta-server approach that combines multiple function annotation results from the COFACTOR, TM-SITE and S-SITE programs.)

Ligand binding sites

Rank	C-score	Cluster size	PDB Hit	Lig Name	Download Complex	Ligand Binding Site Residues
1	0.07	4	2ckjA	FES	Rep, Mult	190,191,192,193,195,201
2	0.06	3	1hloB	NUC	Rep, Mult	350,352,353
3	0.06	3	4xk8K	CLA	Rep, Mult	357,364
4	0.06	3	3au2A	CA	Rep, Mult	163,168
5	0.04	2	1fiqA	FES	Rep, Mult	19,20,24,25,27,69,72
6	0.04	2	3rulA	UUU	Rep, Mult	47,48
7	0.02	1	2zcpA	MG	Rep, Mult	358,362
8	0.02	1	3pfeA	IMD	Rep, Mult	189,218
9	0.02	1	2ckjA	FES	Rep, Mult	167,203,206,211,212,232,233
10	0.02	1	3iouA	ZN	Rep, Mult	257,280
11	0.02	1	3ak1B	EDO	Rep, Mult	341,344
12	0.02	1	3aqlA	MG	Rep, Mult	163,210
13	0.02	1	2hn2A	CA	Rep, Mult	246,247
14	0.02	1	3d6aA	MG	Rep, Mult	301,302
15	0.02	1	3dpgA	CA	Rep, Mult	163,214
16	0.02	1	3wmn2	BCL	Rep, Mult	356,360

	Download the all possible binding ligands and detailed prediction summary.
	Download the templates clustering results.
(a)	C-score is the confidence score of the prediction. C-score ranges [0-1], where a higher score indicates a more reliable prediction.
(b)	Cluster size is the total number of templates in a cluster.
(c)	Lig Name is name of possible binding ligand. Click the name to view its information in the BioLiP database.
(d)	Rep is a single complex structure with the most representative ligand in the cluster, i.e., the one listed in the Lig Name column. Mult is the complex structures with all potential binding ligands in the cluster.

Enzyme Commission (EC) numbers and active sites

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov	EC Number	Active Site Residues
1	0.060	3fedA	0.273	6.93	0.042	0.431	3.4.17.21	NA
2	0.060	2vumA	0.272	7.25	0.030	0.446	2.7.7.6	NA
3	0.060	2cvpA	0.280	7.48	0.040	0.466	5.3.1.9	NA
4	0.060	1z8lA	0.289	6.96	0.039	0.451	3.4.17.21	NA
5	0.060	1h0hA	0.294	7.30	0.033	0.481	1.2.1.2	NA
6	0.060	1no3A	0.296	7.20	0.046	0.481	1.13.11.12	69
7	0.060	1zxvA	0.271	7.61	0.040	0.466	3.4.24.83	135
8	0.060	1q50A	0.230	7.49	0.045	0.393	5.3.1.9	NA
9	0.060	3b9jJ	0.154	6.64	0.034	0.240	1.17.1.4,1.17.3.2	NA
10	0.060	1q16A	0.276	8.15	0.029	0.496	1.7.99.4	NA
11	0.060	2vxoB	0.293	7.19	0.052	0.470	6.3.5.2	NA
12	0.060	3ljkA	0.285	7.40	0.032	0.468	5.3.1.9	302
13	0.060	2vz8A	0.305	7.85	0.037	0.541	2.3.1.85	188
14	0.060	3b9jI	0.122	4.82	0.028	0.159	1.17.1.4,1.17.3.2	NA
15	0.060	2eabA	0.284	7.21	0.034	0.466	3.2.1.63	NA
16	0.060	1qhaA	0.296	7.28	0.044	0.489	2.7.1.1	NA
17	0.060	1yqyA	0.204	7.59	0.033	0.348	3.4.24.83	NA
18	0.060	2jfdA	0.217	7.34	0.033	0.363	2.3.1.85	NA
19	0.060	1fo4A	0.239	7.06	0.021	0.391	1.17.1.4	NA

(a)	Cscore^EC is the confidence score for the 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.

Gene Ontology (GO) terms

Rank	Cscore^GO	TM-score	RMSD^a	IDEN^a	Cov	PDB Hit	Associated GO Terms
Homologous GO templates in PDB
0	0.35	0.852	1.42	0.17	0.88	3gtyX	GO:0000413 GO:0003755 GO:0005737 GO:0006457 GO:0007049 GO:0015031 GO:0016853 GO:0051301
1	0.20	0.518	5.48	0.13	0.70	2mlxA	GO:0000413 GO:0003755 GO:0005737 GO:0006457 GO:0007049 GO:0015031 GO:0016853 GO:0051301
2	0.06	0.311	2.76	0.14	0.34	2nsaA	GO:0000413 GO:0003755 GO:0005737 GO:0006457 GO:0007049 GO:0015031 GO:0016853 GO:0051301
3	0.06	0.285	5.67	0.15	0.39	1t11A	GO:0000413 GO:0003755 GO:0005737 GO:0006457 GO:0007049 GO:0015031 GO:0016853 GO:0051301
4	0.06	0.263	6.92	0.05	0.42	2yqcA	GO:0003977 GO:0005737 GO:0006048 GO:0008152 GO:0016740 GO:0016779 GO:0070569
5	0.06	0.231	7.63	0.04	0.40	3fqdA	GO:0003676 GO:0004518 GO:0004527 GO:0004534 GO:0005634 GO:0006139 GO:0006351 GO:0006353 GO:0006355 GO:0006364 GO:0006397 GO:0006402 GO:0016787 GO:0030846 GO:0090305 GO:0090503
6	0.06	0.187	6.82	0.06	0.30	2chqA	GO:0000166 GO:0003677 GO:0003689 GO:0005524 GO:0005663 GO:0006260
7	0.06	0.196	3.62	0.29	0.23	2aar7	GO:0000413 GO:0003723 GO:0003755 GO:0005737 GO:0006457 GO:0007049 GO:0015031 GO:0016853 GO:0019843 GO:0051301
8	0.06	0.166	5.58	0.05	0.23	1td6A
9	0.06	0.199	7.43	0.03	0.33	2cf2C
10	0.06	0.174	6.33	0.05	0.27	4q0mA	GO:0004067 GO:0006520
11	0.06	0.151	6.66	0.05	0.23	3kstA	GO:0004553 GO:0005975 GO:0008152 GO:0016787 GO:0016798 GO:0045493
12	0.06	0.147	3.23	0.04	0.17	4givA	GO:0000070 GO:0000413 GO:0000794 GO:0003755 GO:0005634 GO:0005940 GO:0006457 GO:0016853 GO:0016925 GO:0031386 GO:0042802 GO:0046872
13	0.06	0.141	3.67	0.18	0.17	1hxvA	GO:0000413 GO:0003755 GO:0005737 GO:0006457 GO:0007049 GO:0015031 GO:0016853 GO:0051301
14	0.06	0.167	5.83	0.06	0.24	4kzxF	GO:0003723 GO:0003735 GO:0005840 GO:0006412 GO:0015935 GO:0030529
15	0.06	0.137	6.12	0.03	0.20	3ksuA
16	0.06	0.127	5.21	0.06	0.17	1s6iA	GO:0000166 GO:0004672 GO:0004674 GO:0004683 GO:0005509 GO:0005516 GO:0005524 GO:0005634 GO:0005737 GO:0005886 GO:0006468 GO:0009738 GO:0009931 GO:0016301 GO:0016310 GO:0016740 GO:0018105 GO:0035556 GO:0046777 GO:0046872
17	0.06	0.128	5.62	0.07	0.18	1ggqA	GO:0006952 GO:0009279 GO:0016020
18	0.06	0.082	4.74	0.06	0.11	1wh9A	GO:0000184 GO:0003677 GO:0003684 GO:0003723 GO:0003729 GO:0003735 GO:0003906 GO:0004520 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005739 GO:0005743 GO:0005759 GO:0005819 GO:0005829 GO:0005840 GO:0005844 GO:0005856 GO:0005886 GO:0005925 GO:0006281 GO:0006351 GO:0006355 GO:0006364 GO:0006412 GO:0006413 GO:0006417 GO:0006614 GO:0006915 GO:0006974 GO:0006979 GO:0007049 GO:0007059 GO:0007067 GO:0008017 GO:0008134 GO:0010628 GO:0015631 GO:0015935 GO:0016020 GO:0016829 GO:0017148 GO:0019083 GO:0019104 GO:0019899 GO:0019900 GO:0019901 GO:0022627 GO:0030529 GO:0030544 GO:0031012 GO:0031116 GO:0031397 GO:0032079 GO:0032183 GO:0032357 GO:0032358 GO:0032587 GO:0042769 GO:0042981 GO:0043507 GO:0044390 GO:0044822 GO:0045738 GO:0045739 GO:0051018 GO:0051225 GO:0051301 GO:0051536 GO:0051879 GO:0061481 GO:0070062 GO:0070181 GO:0070301 GO:0072686 GO:0097100 GO:1901224 GO:1902231 GO:1902546 GO:1905053 GO:2001235 GO:2001272

Consensus prediction of GO terms

Molecular Function	GO:0003755
GO-Score	0.54
Biological Processes	GO:0007049	GO:0051301	GO:0006457	GO:0015031	GO:0000413
GO-Score	0.54	0.54	0.54	0.54	0.54
Cellular Component	GO:0005737
GO-Score	0.57

(a)	Cscore^GO is a combined measure for evaluating global and local similarity between query and template protein. It's range is [0-1] and higher values indicate more confident predictions.
(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.
(f)	The second table shows a consensus GO terms amongst the top scoring templates. The GO-Score associated with each prediction is defined as the average weight of the GO term, where the weights are assigned based on Cscore^GO of the template.

[Click on result.tar.bz2 to download the tarball file including all modelling results listed on this page]

Please cite the following articles when you use the I-TASSER server:
1.	J Yang, R Yan, A Roy, D Xu, J Poisson, Y Zhang. The I-TASSER Suite: Protein structure and function prediction. Nature Methods, 12: 7-8, 2015.
2.	J Yang, Y Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.
3.	A Roy, A Kucukural, Y Zhang. I-TASSER: a unified platform for automated protein structure and function prediction. Nature Protocols, 5: 725-738, 2010.
4.	Y Zhang. I-TASSER server for protein 3D structure prediction. BMC Bioinformatics, 9: 40, 2008.