I-TASSER results

I-TASSER results for job id Rv3722c

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

Input Sequence in FASTA format

>protein (435 residues)
MSFDSLSPQELAALHARHQQDYAALQGMKLALDLTRGKPSAEQLDLSNQLLSLPGDDYRD
PEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLELMHDIVAFSMLYGGVDSP
RPWIQEQDGIKFLCPVPGYDRHFAITETMGIEMIPIPMLQDGPDVDLIEELVAVDPAIKG
MWTVPVFGNPSGVTYSWETVRRLVQMRTAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLA
AKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRF
FGDADGVRLHMLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTAR
RTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATE
TLLNQGLASSAPNVR

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFDSLSPQELAALHARHQQDYAALQGMKLALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLELMHDIVAFSMLYGGVDSPRPWIQEQDGIKFLCPVPGYDRHFAITETMGIEMIPIPMLQDGPDVDLIEELVAVDPAIKGMWTVPVFGNPSGVTYSWETVRRLVQMRTAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGDADGVRLHMLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLASSAPNVR
Prediction	CCHHHHCHHHHHHCHHHHHHHHHHHHHCCCCEHCCCCCCCHHHCCCHHHHHHHHHHHHHHCHHHHHHCCCCCCCCHHHHHHHHHHHCCCHCHEEEHCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCEEEHCCCCCHHHHHHHHHHCCEEEEEHCCCCCCCHHHHHHHHHHCCCCEEEEHCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCEEEEHCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCEEEEEHCCHHHCCCCCCEEEHCCHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCEEEHCCCCCEEEEEHCCCCCHHHHHHHHHHHCCEEEHCCCCCCCCCCCCCCEEEEHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCC
Conf.Score	988886599999755769999999997899765889999988898669999999999987567888589999888999999999989985448886879999999999999975556666555568999699986998599999999989979996589999999999999998999759998699999999888999999999999986698799858987656788999887589999986999968999747756655456477776999999999999987579997999999999987676999999999999999999999999996998877998789975999995998589999999998998996787778888999886998579999999999999999999999999999986677898779
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSFDSLSPQELAALHARHQQDYAALQGMKLALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLELMHDIVAFSMLYGGVDSPRPWIQEQDGIKFLCPVPGYDRHFAITETMGIEMIPIPMLQDGPDVDLIEELVAVDPAIKGMWTVPVFGNPSGVTYSWETVRRLVQMRTAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGDADGVRLHMLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLASSAPNVR
Prediction	551551346205613541143025027574103102032113203024401530254124642330110141620430041006217051510000100010000100010002222333342144541000000110130011004315041120313661121530150067352000000000100100200246103200400064240000000000002034442221500420361436410110123211313333000000246004202400200201112000100000035362034004301620351051004004620475430303314110000020254004400420273400000000000117444320002000104272035006340300210113420555255442538
	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

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

Sec.Str
Seq

CCHHHHCHHHHHHCHHHHHHHHHHHHHCCCCEHCCCCCCCHHHCCCHHHHHHHHHHHHHHCHHHHHHCCCCCCCCHHHHHHHHHHHCCCHCHEEEHCCHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCEEEHCCCCCHHHHHHHHHHCCEEEEEHCCCCCCCHHHHHHHHHHCCCCEEEEHCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCEEEEHCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCEEEEEHCCHHHCCCCCCEEEHCCHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCEEEHCCCCCEEEEEHCCCCCHHHHHHHHHHHCCEEEHCCCCCCCCCCCCCCEEEEHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCC
MSFDSLSPQELAALHARHQQDYAALQGMKLALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLELMHDIVAFSMLYGGVDSPRPWIQEQDGIKFLCPVPGYDRHFAITETMGIEMIPIPMLQDGPDVDLIEELVAVDPAIKGMWTVPVFGNPSGVTYSWETVRRLVQMRTAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGDADGVRLHMLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLASSAPNVR

5c6uA

0.96

0.92

0.96

3.21

MUSTER

--FDSLSPQELAALHARHQQDYAALQG-KLALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLEL-HDIVAFSLYGG-VDSPRPWIQEQDGIKFLCPVPGYDRHFAITETGI--EIPIPL-QDGPDVDLIEELVAVDP-AIKGWTVPVFGNPSGVTYSWETVRRLVQR-TAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGDA-DGVRLHLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLA-------

5c6uA

0.94

0.91

0.96

5.57

dPPAS

--FDSLSPQELAALHARHQQDYAALQGK-LALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLEL-HDIVAFSLYGGV-DSPRPWIQEQDGIKFLCPVPGYDRHFAITETGI---EIPIPLQDGPDVDLIEELVAVDP-AIKGWTVPVFGNPSGVTYSWETVRRLVQR-TAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGDA-DGVRLHLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLA-------

5c6uA

0.91

0.88

0.96

4.88

wdPPAS

--FDSLSPQELAA-LHARHQQDYAALQGKLALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLEL-HDIVAFSLYGGVDSP-RPWIQEQDGIKFLCPVPGYDRHFAITETGI--EIPIPLQ-DGPDVDLIEELVAVDP-AIKGWTVPVFGNPSGVTYSWETVRRLVQR-TAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGD-ADGVRLHLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLA-------

5c6uA

0.96

0.92

0.96

3.82

wMUSTER

--FDSLSPQELAALHARHQQDYAALQG-KLALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLEL-HDIVAFSLYGG-VDSPRPWIQEQDGIKFLCPVPGYDRHFAITETGI--EIPIPL-QDGPDVDLIEELVAVDP-AIKGWTVPVFGNPSGVTYSWETVRRLVQR-TAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGDA-DGVRLHLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLA-------

5c6uA

0.91

0.87

0.96

4.25

wPPAS

--FDSLSPQELAA-LHARHQQDYAALQGKLALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLEL-HDIVAFSLYGGVDSP-RPWIQEQDGIKFLCPVPGYDRHFAITETGI--EIPIPLQ-DGPDVDLIEELVAVD-PAIKGWTVPVFGNPSGVTYSWETVRRLVQR-TAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGD-ADGVRLHLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLA-------

5c6uA

0.95

0.91

0.96

6.42

dPPAS2

--FDSLSPQELAALHARHQQDYAALQGK-LALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLEL-HDIVAFSLYGGV-DSPRPWIQEQDGIKFLCPVPGYDRHFAITETGI--EIPIPL-QDGPDVDLIEELVAVDP-AIKGWTVPVFGNPSGVTYSWETVRRLVQR-TAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGDA-DGVRLHLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLA-------

5c6uA

0.95

0.91

0.96

4.13

PPAS

--FDSLSPQELAALHARHQQDYAALQG-KLALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLEL-HDIVAFSLYGGV-DSPRPWIQEQDGIKFLCPVPGYDRHFAITETGI--EIPIPLQ-DGPDVDLIEELVAVD-PAIKGWTVPVFGNPSGVTYSWETVRRLVQR-TAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGDA-DGVRLHLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLA-------

5c6uA

0.95

0.91

0.96

5.35

Env-PPAS

--FDSLSPQELAALHARHQQDYAALQG-KLALDLTRGKPSAEQLDLSNQLLSLPGDDYRDPEGTDTRNYGGQHGLPGLRAIFAELLGIAVPNLIAGNNSSLEL-HDIVAFSLYGG-VDSPRPWIQEQDGIKFLCPVPGYDRHFAITETGI--EIPIPLQ-DGPDVDLIEELVAVD-PAIKGWTVPVFGNPSGVTYSWETVRRLVQR-TAAPDFRLFWDNAYAVHTLTLDFPRQVDVLGLAAKAGNPNRPYVFASTSKITFAGGGVSFFGGSLGNIAWYLQYAGKKSIGPDKVNQLRHLRFFGDA-DGVRLHLRHQQILAPKFALVAEVLDQRLSESKIASWTEPKGGYFISLDVLPGTARRTVALAKDVGIAVTEAGASFPYRKDPDDKNIRIAPSFPSVPDLRNAVDGLATCALLAATETLLNQGLA-------

3pplA

0.51

0.48

0.95

3.07

MUSTER

VSLQDFDAERIGLFHEDIKRKFDELKSKNLKLDLTRGKPSSEQLDFADELLALPGKDFKAADGTDVRNYGGLDGIVDIRQIWADLLGVPVEQVLAGDASSLNI-FDVISWSYIFGNNDSVQPWSKEE-TVKWICPVPGYDRHFSITERFGFEISVP--NEDGPD-DAVEELVKNPQ--VKGWVVPVFSNPTGFTVTEDVAKRLSAE-TAAPDFRVVWDNAYAVHTLTDEFPEVIDIVGLGEAAGNPNRFWAFTSTSKITLAGAGVSFFLTSAENRKWYTGHAGIRGIGPNKVNQLAHARYFGDA-EGVRAVRKHAASLAPKFNKVLEILDSRLAEYGVAQWTVPAGGYFISLDVVPGTASRVAELAKEAGIALTGAGSSYPLRQDPENKNLRLAPSLPPVEELEVADGVATCVLLAAAEHYA-------------

3pplA

0.51

0.48

0.95

5.42

dPPAS

VSLQDFDAERIGLFHEDIKRKFDELKSKNLKLDLTRGKPSSEQLDFADELLALPGGDFKAADGTDVRNYGGLDGIVDIRQIWADLLGVPVEQVLAGDASSLNI-FDVISWSYIFGNNDSVQPWSKEE-TVKWICPVPGYDRHFSITERFGFEISVP--NEDGPD-DAVEELVKNPQ--VKGWVVPVFSNPTGFTVTEDVAKRLSAE-TAAPDFRVVWDNAYAVHTLTDEFPEVIDIVGLGEAAGNPNRFWAFTSTSKITLAGAGVSFFLTSAENRKWYTGHAGIRGIGPNKVNQLAHARYFGDA-EGVRAVRKHAASLAPKFNKVLEILDSRLAEYGVAQWTVPAGGYFISLDVVPGTASRVAELAKEAGIALTGAGSSYPLRQDPENKNLRLAPSLPPVEELEVADGVATCVLLAAAEHYA-------------

(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 1 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=1.69

Estimated TM-score = 0.95±0.05

Estimated RMSD = 3.5±2.4Å

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	5c6uA	0.950	0.75	0.986	0.959
2	3pplA	0.924	1.35	0.535	0.949
3	3ez1B	0.911	1.57	0.434	0.943
4	3d6kC	0.908	1.14	0.556	0.926
5	1vp4A	0.755	2.89	0.157	0.841
6	1wstA	0.752	2.88	0.176	0.839
7	2zyjA	0.741	2.85	0.172	0.830
8	2zc0A	0.736	2.89	0.173	0.825
9	3tcmA	0.735	3.54	0.120	0.864
10	4je5A	0.725	3.38	0.130	0.828

(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	0.63	131	2zyjA	PGU	Rep, Mult	36,37,99,100,101,139,184,189,218,220,221,254,256,257,264,392
2	0.40	108	1b4xA	MAE	Rep, Mult	36,37,139,189,257,349,392
3	0.06	18	1bjwB	PO4	Rep, Mult	139,189,349,392
4	0.05	15	1gc3A	TRP	Rep, Mult	35,36,37,38,189,349,392
5	0.02	9	4r2nB	PHE	Rep, Mult	101,139,140,141,189,393
6	0.02	7	5hxxA	GLU	Rep, Mult	69,287
7	0.02	8	2zp7E	LEU	Rep, Mult	19,23,37,139,189,257,392
8	0.01	3	2r2nA	KYN	Rep, Mult	19,20,37,38,69,287
9	0.00	1	3athA	AKG	Rep, Mult	219,220,221,222,223,251,253,254,258,267
10	0.00	2	2r2nC	KYN	Rep, Mult	19,20,37,38,69
11	0.00	2	2x5dA	LLP	Rep, Mult	36,37,38,39,189,220,221,255,256,258,261,314,348,392
12	0.00	1	3aowA	AKG	Rep, Mult	20,139,141
13	0.00	1	3av7A	KYA	Rep, Mult	17,19,20,140,144,374,378,385
14	0.00	2	2zc0A	IMD	Rep, Mult	143,144,147,378,380
15	0.00	2	4gdyA	0X1	Rep, Mult	19,20,37,38,69,70,72,287
16	0.00	1	3ue8A	09M	Rep, Mult	37,69
17	0.00	2	2xh1B	UUU	Rep, Mult	37,38,69,70,71,287
18	0.00	1	2dou0	III	Rep, Mult	54,101,102,105,106,124,139,144,150,261,262,263,264,284,285,286,290

	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	0.492	2zyjA	0.741	2.85	0.172	0.830	2.6.1.39	139,218,257
2	0.452	2douA	0.696	3.05	0.155	0.786	2.-.-.-	139,218,257
3	0.330	1d2fB	0.705	2.92	0.139	0.793	4.4.1.8	139,218,257
4	0.326	1o4sB	0.681	3.12	0.147	0.775	2.6.1.1	79
5	0.321	1uu1C	0.607	3.46	0.133	0.715	2.6.1.9	139,218,257
6	0.282	2f8jC	0.610	3.39	0.136	0.713	2.6.1.9	139,220,257,261
7	0.273	1j32A	0.699	3.20	0.130	0.802	2.6.1.1	218,257
8	0.251	1b5oA	0.695	3.06	0.149	0.786	2.6.1.1	218,257
9	0.196	3cq5B	0.648	3.42	0.133	0.759	2.6.1.9	NA
10	0.135	1v2eA	0.679	3.14	0.152	0.779	2.6.1.15	218,248,257
11	0.133	2zc0A	0.736	2.89	0.173	0.825	2.6.1.44	139,257
12	0.131	1gd9A	0.706	3.14	0.138	0.809	2.6.1.-	NA
13	0.112	3eucB	0.635	3.41	0.127	0.745	2.6.1.9	98,100,221,256,262
14	0.107	1fg3A	0.640	3.33	0.108	0.747	2.6.1.9	139,218
15	0.084	2qlrA	0.703	3.23	0.153	0.798	2.6.1.39,2.6.1.7	139,218
16	0.076	1wstA	0.752	2.88	0.176	0.839	2.6.1.-	139,218,257
17	0.070	3fvsA	0.699	3.44	0.122	0.814	2.6.1.7,2.6.1.64,4.4.1.13	84
18	0.060	3mebA	0.682	3.74	0.110	0.821	2.6.1.1	190,218,221,256,347,349
19	0.060	1ajrA	0.690	3.48	0.090	0.811	2.6.1.1	218
20	0.060	2z20A	0.682	3.49	0.113	0.793	2.6.1.83	NA
21	0.060	2r2nA	0.704	3.21	0.153	0.798	2.6.1.39,2.6.1.7	137,162,341,349,378
22	0.060	2r5cA	0.694	3.60	0.128	0.818	2.6.1.64	218
23	0.060	1yaaA	0.684	3.69	0.110	0.814	2.6.1.1	218,254
24	0.060	1x0mA	0.754	2.64	0.182	0.832	2.6.1.7	139,218,257
25	0.060	3g7qA	0.673	3.45	0.184	0.784	2.6.1.66	144
26	0.060	3if2A	0.717	3.44	0.132	0.835	2.6.1.-	NA
27	0.060	3ihjA	0.714	3.75	0.116	0.851	2.6.1.2	218,257
28	0.060	1ajsA	0.691	3.62	0.096	0.823	2.6.1.1	218,221,257
29	0.060	2zjgA	0.692	3.38	0.132	0.805	2.6.1.7,2.6.1.64	139,218
30	0.060	3dydA	0.711	2.96	0.122	0.805	2.6.1.5	218
31	0.060	1iayA	0.715	3.33	0.127	0.828	4.4.1.14	218,257
32	0.060	2z61A	0.683	2.92	0.136	0.768	2.6.1.1	139,218
33	0.060	1yaaB	0.685	3.74	0.112	0.818	2.6.1.1	218,221,254,257

(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	0.70	0.971	0.83	1.00	0.98	5c6uA	GO:0003824 GO:0005576 GO:0008483 GO:0016740 GO:0040007
1	0.67	0.944	1.41	0.55	0.97	5hxxA	GO:0003824 GO:0004069 GO:0008483 GO:0016740 GO:0080130
2	0.64	0.929	1.16	0.56	0.95	3d6kC	GO:0003824
3	0.57	0.923	1.57	0.43	0.95	3ez1B	GO:0003824 GO:0008483 GO:0016740
4	0.39	0.741	2.85	0.17	0.83	2zyjA	GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0019878 GO:0030170 GO:0047536
5	0.38	0.765	2.84	0.16	0.85	1vp4A	GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
6	0.36	0.730	3.38	0.14	0.85	3if2A	GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
7	0.36	0.695	3.06	0.15	0.79	1b5oA	GO:0003824 GO:0004069 GO:0005737 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
8	0.35	0.752	2.88	0.18	0.84	1wstA	GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
9	0.34	0.736	2.89	0.17	0.83	2zc0A	GO:0003824 GO:0008453 GO:0008483 GO:0009058 GO:0016740 GO:0030170
10	0.34	0.706	3.14	0.14	0.81	1gd9A	GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
11	0.34	0.706	2.97	0.15	0.80	4my5A	GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
12	0.33	0.706	3.22	0.15	0.80	4gdyB	GO:0003824 GO:0005739 GO:0005759 GO:0006103 GO:0006536 GO:0006554 GO:0006569 GO:0008483 GO:0009058 GO:0016212 GO:0016740 GO:0019441 GO:0030170 GO:0033512 GO:0042803 GO:0047536 GO:0070189 GO:0097052
13	0.33	0.710	3.16	0.15	0.81	2x5dD	GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
14	0.32	0.694	3.38	0.11	0.80	3ei7A	GO:0003824 GO:0005507 GO:0005829 GO:0008483 GO:0009058 GO:0009089 GO:0009507 GO:0009536 GO:0009570 GO:0009735 GO:0009862 GO:0010285 GO:0016740 GO:0030170
15	0.32	0.715	3.33	0.13	0.83	1iayA	GO:0003824 GO:0009058 GO:0009693 GO:0009835 GO:0016829 GO:0016847 GO:0030170 GO:0042218
16	0.29	0.753	2.68	0.18	0.83	3aovA	GO:0003824 GO:0009058 GO:0030170
17	0.26	0.681	3.12	0.15	0.77	1o4sB	GO:0003824 GO:0004069 GO:0005737 GO:0008483 GO:0009058 GO:0016740 GO:0030170 GO:0080130
18	0.26	0.697	3.45	0.17	0.81	3g7qA	GO:0003824 GO:0008483 GO:0009042 GO:0009058 GO:0016740 GO:0030170
19	0.21	0.662	3.69	0.12	0.79	3p6kB
20	0.18	0.657	3.70	0.12	0.79	4m2jA	GO:0003824 GO:0008483 GO:0009058 GO:0016740 GO:0030170
21	0.11	0.700	3.29	0.14	0.81	3dzzA	GO:0003824 GO:0009058 GO:0030170
22	0.06	0.296	7.16	0.04	0.48	2vkdA	GO:0000166 GO:0009405 GO:0016757 GO:0046872
23	0.06	0.294	6.14	0.04	0.44	3kc2B	GO:0046474

Consensus prediction of GO terms

Molecular Function	GO:0004069	GO:0080130	GO:0030170	GO:0047536
GO-Score	0.67	0.67	0.39	0.39
Biological Processes	GO:0040007	GO:0019878
GO-Score	0.70	0.39
Cellular Component	GO:0005576
GO-Score	0.70

(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.