I-TASSER results

I-TASSER results for job id Rv2522c

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

Input Sequence in FASTA format

>protein (470 residues)
MSASRRRIASKSGFSCDSASARELVERVREVLPSVRCDLEELVRIESVWADPDRRDEVHR
SARAVADLLSQAGFDDVRIVSERGAPAVIARYPAPPGAPTVLLYAHHDVQPEGDRGQWVS
PPFEPTERGGRLYGRGTADDKAGIATHVAAFWAHGGRPPVGVTVFVEGEEESGSPSLGRL
LAAHRDALAADVIVIADSDNWSTDIPALTVSLRGMADCVVEVATLDHGLHSGLWGGVVPD
ALTVLVRLLASLHDDDGNVAVAGMHESTAARVDYPAGRVRAESGLLDGVSEIGTGSVPQR
LWAKPAITVIGIDTTSVAAASNTLIPRARAKISIRVAPGGDATAHLDAVEAHLRRHAPWG
AQVTVTRGEVGQPYAIEASGPVYDAARSAFRQAWGADPIDMGMGGSIPFIAEFAAAFPQA
TILVTGVEDPGTQAHSVNESLHLGVLERAATAEALLLAKLAAIPTGRAEA

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSASRRRIASKSGFSCDSASARELVERVREVLPSVRCDLEELVRIESVWADPDRRDEVHRSARAVADLLSQAGFDDVRIVSERGAPAVIARYPAPPGAPTVLLYAHHDVQPEGDRGQWVSPPFEPTERGGRLYGRGTADDKAGIATHVAAFWAHGGRPPVGVTVFVEGEEESGSPSLGRLLAAHRDALAADVIVIADSDNWSTDIPALTVSLRGMADCVVEVATLDHGLHSGLWGGVVPDALTVLVRLLASLHDDDGNVAVAGMHESTAARVDYPAGRVRAESGLLDGVSEIGTGSVPQRLWAKPAITVIGIDTTSVAAASNTLIPRARAKISIRVAPGGDATAHLDAVEAHLRRHAPWGAQVTVTRGEVGQPYAIEASGPVYDAARSAFRQAWGADPIDMGMGGSIPFIAEFAAAFPQATILVTGVEDPGTQAHSVNESLHLGVLERAATAEALLLAKLAAIPTGRAEA
Prediction	CCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCEEEEHCCCCCEEEEEEHCCCCCCCEEEEEHCCCCCCCCCCCCCCCCCCCCEEHCCEEEHCCCCCCHHHHHHHHHHHHHHCCCCCCCEEEEEHCCCCCCCCCHHHHHHHHCHHHCCCEEEHCCCCCCCCCCCEEEHCCCCEEEEEEEEEHCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCHCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCHHHHHHHCCCEEEEEEHCCCCCCCCCHCCCEEEEEEEEEHCCCCCHHHHHHHHHHHHHHHCCCCCEEEEEHCCCCCCEHCCCCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHCCCEEEHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCC
Conf.Score	98876676677889989766999999999999999999999985888899876659999999999999999899689996899986999998689999889999647889999855688999875898989997567788899999999999997989997899997677778985999999985765798999868998888866899755756999999997899888888888765599999999998557899855787677777788888888787658777877788776788887578589987867888888755587899999999599999999999999999998899969999987888866679989999999999999989987556888776669999999799869986999988788888886679999999999999999999856777789
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSASRRRIASKSGFSCDSASARELVERVREVLPSVRCDLEELVRIESVWADPDRRDEVHRSARAVADLLSQAGFDDVRIVSERGAPAVIARYPAPPGAPTVLLYAHHDVQPEGDRGQWVSPPFEPTERGGRLYGRGTADDKAGIATHVAAFWAHGGRPPVGVTVFVEGEEESGSPSLGRLLAAHRDALAADVIVIADSDNWSTDIPALTVSLRGMADCVVEVATLDHGLHSGLWGGVVPDALTVLVRLLASLHDDDGNVAVAGMHESTAARVDYPAGRVRAESGLLDGVSEIGTGSVPQRLWAKPAITVIGIDTTSVAAASNTLIPRARAKISIRVAPGGDATAHLDAVEAHLRRHAPWGAQVTVTRGEVGQPYAIEASGPVYDAARSAFRQAWGADPIDMGMGGSIPFIAEFAAAFPQATILVTGVEDPGTQAHSVNESLHLGVLERAATAEALLLAKLAAIPTGRAEA
Prediction	66454453444442444463054015204611540262055034141103465236003300510262556140411203347210000021235661200000000000114467506231040224532010000000000000000001414650411000000021011021002003503540300000000012243310000001100010201020353311001112101100200030012022571301021014412531523253035212024213434231012211120000000030133364220011302010000002623064015202500472135504020313341300101152300400250046015241210000000000020171041000000000115220311313030510240020001003200523564678
	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

CCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCEEEEHCCCCCEEEEEEHCCCCCCCEEEEEHCCCCCCCCCCCCCCCCCCCCEEHCCEEEHCCCCCCHHHHHHHHHHHHHHCCCCCCCEEEEEHCCCCCCCCCHHHHHHHHCHHHCCCEEEHCCCCCCCCCCCEEEHCCCCEEEEEEEEEHCCCCCCCCCCCCCCCCHHHHHHHHHHHHCCCCCCHCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCHHHHHHHCCCEEEEEEHCCCCCCCCCHCCCEEEEEEEEEHCCCCCHHHHHHHHHHHHHHHCCCCCEEEEEHCCCCCCEHCCCCCHHHHHHHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHCCCEEEHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCCC
MSASRRRIASKSGFSCDSASARELVERVREVLPSVRCDLEELVRIESVWADPDRRDEVHRSARAVADLLSQAGFDDVRIVSERGAPAVIARYPAPPGAPTVLLYAHHDVQPEGDRGQWVSPPFEPTERGGRLYGRGTADDKAGIATHVAAFWAHGGRPPVGVTVFVEGEEESGSPSLGRLLAAHRDALAADVIVIADSDNWSTDIPALTVSLRGMADCVVEVATLDHGLHSGLWGGVVPDALTVLVRLLASLHDDDGNVAVAGMHESTAARVDYPAGRVRAESGLLDGVSEIGTGSVPQRLWAKPAITVIGIDTTSVAAASNTLIPRARAKISIRVAPGGDATAHLDAVEAHLRRHAPWGAQVTVTRGEVGQPYAIEASGPVYDAARSAFRQAWGADPIDMGMGGSIPFIAEFAAAFPQATILVTGVEDPGTQAHSVNESLHLGVLERAATAEALLLAKLAAIPTGRAEA

2zofA

0.27

0.26

0.96

2.83

MUSTER

-------------SPNSMSALKAVFQYIDENQDRYVKKLAEWVAIQSVSAWPEKRGEIRRMMEVAAADVQRLGGSVELVDIGKLPPILLGKLGSDPQKKTVCIYGHLDVQPAALEDGWDSEPFTLVEREGKLYGRGSTDDKGPVAGWMNALEAYQQEIPVNLRFCLEGMEESGSEGLDELIFAQKDKFFVDYVCISDNYWLGKNKPCITYGLRGICYFFIEVECSDKDLHSGVYGGSVHEAMTDLISLMGCLVDKKGKILIPGINDAVAPVIDFDMEEFAKDVGAETLLHSCK-KDILMHRWRYPSLSLHGIEGAFSGSGAKVIPRKVVGKFSIRLVPDMIPEVVSEQVSSYLSKKFQSPNKFKVYMGHGGKPWVSDFNHPHYQAGRRALKTVFGVEPDLTREGGSIPVTLTFQEATG-KNVMLLPVGSADDGAHSQNEKLNRLNYIEGTKMLAAYLYEVSQLK------

2zofA

0.27

0.26

0.96

4.44

dPPAS

-------------SPNSMSALKAVFQYIDENQDRYVKKLAEWVAIQSVSAWPEKRGEIRRMMEVAAADVQRLGGSVELVDIGKLPPILLGKLGSDPQKKTVCIYGHLDVQPAALEDGWDSEPFTLVEREGKLYGRGSTDDKGPVAGWMNALEAYQQEIPVNLRFCLEGMEESGSEGLDELIFAQKDKFFVDYVCISDNYWLGKNKPCITYGLRGICYFFIEVECSDKDLHSGVYGGSVHEAMTDLISLMGCLVDKKGKILIPGINDAVAPVTDFDMEEFAKDVGAETLLHSCKK-DILMHRWRYPSLSLHGIEGAFSGSGAKVIPRKVVGKFSIRLVPDMIPEVVSEQVSSYLSKKFQSPNKFKVYMGHGGKPWVSDFNHPHYQAGRRALKTVFGVEPDLTREGGSIPVTLTFQEATGK-NVMLLPVGSADDGAHSQNEKLNRLNYIEGTKMLAAYLYEVSQLK------

2zofA

0.27

0.26

0.95

4.83

wdPPAS

-------------SPNSMSALKAVFQYIDENQDRYVKKLAEWVAIQSVSAWPEKRGEIRRMMEVAAADVQRLGGSVELVDIGPLPPILLGKLGSDPQKKTVCIYGHLDVQPAALEDGWDSEPFTLVEREGKLYGRGSTDDKGPVAGWMNALEAY-QEIPVNLRFCLEGMEESGSEGLDELIFAQKDKFFKDYVCISDNYWLGKNKPCITYGLRGICYFFIEVECSDKDLHSGVYGGSVHEAMTDLISLMGCLVDKKGKILIPGINDAVAPVTDFDMEEFAKDVGAETLLHSCKK-DILMHRWRYPSLSLHGIEGAFSGSGAKVIPRKVVGKFSIRLVPDMIPEVVSEQVSSYLSKKFQSPNKFKVYMGHGGKPWVSDFNHPHYQAGRRALKTVFGVEPDLTREGGSIPVTLTFQEATG-KNVMLLPVGSADDGAHSQNEKLNRLNYIEGTKMLAAYLYEVSQLK------

2zofA

0.27

0.26

0.95

3.60

wMUSTER

--------------PNSMSALKAVFQYIDENQDRYVKKLAEWVAIQSVSAWPEKRGEIRRMMEVAAADVQRLGGSVELVDIGKLPPILLGKLGSDPQKKTVCIYGHLDVQPAALEDGWDSEPFTLVEREGKLYGRGSTDDKGPVAGWMNALEAYQQEIPVNLRFCLEGMEESGSEGLDELIFAQKDKFFVDYVCISDNYWLGKNKPCITYGLRGICYFFIEVECSDKDLHSGVYGGSVHEAMTDLISLMGCLVDKKGKILIPGINDAVAPVIDFDMEEFAKDVGAETLLHSCK-KDILMHRWRYPSLSLHGIEGAFSGSGAKVIPRKVVGKFSIRLVPDMIPEVVSEQVSSYLSKKFQSPNKFKVYMGHGGKPWVSDFNHPHYQAGRRALKTVFGVEPDLTREGGSIPVTLTFQEATG-KNVMLLPVGSADDGAHSQNEKLNRLNYIEGTKMLAAYLYEVSQLK------

2zofA

0.27

0.26

0.95

4.59

wPPAS

-------------SPNSMSALKAVFQYIDENQDRYVKKLAEWVAIQSVSAWPEKRGEIRRMMEVAAADVQRLGGSVELVDIIPLPPILLGKLGSDPQKKTVCIYGHLDVQPAALEDGWDSEPFTLVEREGKLYGRGSTDDKGPVAGWMNALEAY-QEIPVNLRFCLEGMEESGSEGLDELIFAQKDKFFKDYVCISDNYWLGKNKPCITYGLRGICYFFIEVECSDKDLHSGVYGGSVHEAMTDLISLMGCLVDKKGKILIPGINDAVAPVTDFDMEEFAKDVGAETLLHSCKK-DILMHRWRYPSLSLHGIEGAFSGSGAKTVPRKVVGKFSIRLVPDMIPEVVSEQVSSYLSKKFQSPNKFKVYMGHGGKPWVSDFNHPHYQAGRRALKTVFGVEPDLTREGGSIPVTLTFQEATG-KNVMLLPVGSADDGAHSQNEKLNRLNYIEGTKMLAAYLYEVSQLK------

2zofA

0.27

0.26

0.96

6.70

dPPAS2

-------------SPNSMSALKAVFQYIDENQDRYVKKLAEWVAIQSVSAWPEKRGEIRRMMEVAAADVQRLGGSVELVDIGKLPPILLGKLGSDPQKKTVCIYGHLDVQPAALEDGWDSEPFTLVEREGKLYGRGSTDDKGPVAGWMNALEAYQQEIPVNLRFCLEGMEESGSEGLDELIFAQKDKFFVDYVCISDNYWLGKNKPCITYGLRGICYFFIEVECSDKDLHSGVYGGSVHEAMTDLISLMGCLVDKKGKILIPGINDAVAPVTDFDMEEFAKDVGAETLLHSCKK-DILMHRWRYPSLSLHGIEGAFSGSGAKVIPRKVVGKFSIRLVPDMIPEVVSEQVSSYLSKKFQSPNKFKVYMGHGGKPWVSDFNHPHYQAGRRALKTVFGVEPDLTREGGSIPVTLTFQEATGK-NVMLLPVGSADDGAHSQNEKLNRLNYIEGTKMLAAYLYEVSQLK------

2zofA

0.27

0.26

0.96

4.36

PPAS

-------------SPNSMSALKAVFQYIDENQDRYVKKLAEWVAIQSVSAWPEKRGEIRRMMEVAAADVQRLGGSVELVDIGPLPPILLGKLGSDPQKKTVCIYGHLDVQPAALEDGWDSEPFTLVEREGKLYGRGSTDDKGPVAGWMNALEAYQQEIPVNLRFCLEGMEESGSEGLDELIFAQKDKFFVDYVCISDNYWLGKNKPCITYGLRGICYFFIEVECSDKDLHSGVYGGSVHEAMTDLISLMGCLVDKKGKILIPGINDAVAPVTDFDMEEFAKDVGAETLLHSCKK-DILMHRWRYPSLSLHGIEGAFSGSGAKTVPRKVVGKFSIRLVPDMIPEVVSEQVSSYLSKKFQSPNKFKVYMGHGGKPWVSDFNHPHYQAGRRALKTVFGVEPDLTREGGSIPVTLTFQEATG-KNVMLLPVGSADDGAHSQNEKLNRLNYIEGTKMLAAYLYEVSQLK------

4mmoA

0.20

0.18

0.90

6.26

Env-PPAS

-------------------------------MDEELYTLIEFLKKPSISATGEG---IDETANYLKETVEKLLGVKANLEKTKGHPVVYAEI-NVNAKKTLLIYNHYDVQPVDPISEWKRAPFSATIENDRIYARGASDNKGTLMARLFAIKHLLNELNVNVKLLYEGEEEIGSVNLEDYIEKNTNKLKADSVIMEGAGLDPKGRPQIVLGVKGLLYVELVLDYGTKDLHSS-NAPLVRNPCIDLAKIISTLVDMGGRVLIEGFYDDVRELTDIDVEELKKALGFKELKYNEKE-KIAEALLTYPTCNVDGFECGYTGKGSKTIVPRAFAKLDFRLVPNQDPYKVFELLKKHLQKA---GFNGEILAHGFEYPVRTSVNSTVVKAMIESAKKVYGTEPQVPNSAGTQPMGLFVYKLGIRDAVSAIGAGGYYSNAHAPNENIKIDDYYKAIKHTEEFLKLYPIL-------

3dljA

0.26

0.25

0.94

2.81

MUSTER

---------------PPPALLEKVFQYIDLHQDEFVQTLKEWVAIESDSVQPVFRQELFRMMAVAADTLQRLGARVASVDMGPIPPVILAELGSDPTKGTVCFYGHLDVQPADRGDGWLTDPYVLTEVDGKLYGRGATDNKGPVLAWINAVSAFRQDLPVNIKFIIEGMEEAGSVALEELVEKEKDRFFSGVDYIVISDNLWISKPAITYGTRGNSYFMVEVKCRDQDFHSGTFGGILHEPMADLVALLGSLVDSSGHILVPGIYDEVVPLIHLDLEEYRNSSRVEKFLFDTK-EEILMHLWRYPSLSIHGIEGAFDEPGTKVIPGRVIGKFSIRLVPHMNVSAVEKQVTRHLEDVFNSSNKMVVSMTLGLHPWIANIDDTQYLAAKRAIRTVFGTEPDMIRDGSTIPIAKMFQEIVH---VVLIPLGAVDDGEHSQNEKINRWNYIEGTKLFAAFFLEMAQL-------

3dljA

0.26

0.25

0.94

4.41

dPPAS

---------------PPPALLEKVFQYIDLHQDEFVQTLKEWVAIESDSVQPVFRQELFRMMAVAADTLQRLGARVASVDMLPIPPVILAELGSDPTKGTVCFYGHLDVQPADRGDGWLTDPYVLTEVDGKLYGRGATDNKGPVLAWINAVSAFRQDLPVNIKFIIEGMEEAGSVALEELVEKEKDRFFSGVDYIVISDNLWISKPAITYGTRGNSYFMVEVKCRDQDFHSGTFGGILHEPMADLVALLGSLVDSSGHILVPGIYDEVVPLTHLDLEEYRNSSRVEKFLFDTK-EEILMHLWRYPSLSIHGIEGAFDEPGTKVIPGRVIGKFSIRLVPHMNVSAVEKQVTRHLEDVFNSSNKMVVSMTLGLHPWIANIDDTQYLAAKRAIRTVFGTEPDMIRDGSTIPIAKMFQEIVHV---VLIPLGAVDDGEHSQNEKINRWNYIEGTKLFAAFFLEMAQL-------

(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 4 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=0.89

Estimated TM-score = 0.83±0.08

Estimated RMSD = 5.3±3.4Å

Download Model 2

C-score=0.68

Download Model 3

C-score=-2.35

Download Model 4

C-score=-1.51

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	2zofA	0.939	1.07	0.272	0.955
2	4g1pA	0.926	1.34	0.257	0.951
3	3dljA	0.909	1.55	0.265	0.940
4	3pfeA	0.818	2.93	0.225	0.919
5	4mmoA	0.803	2.81	0.195	0.896
6	3pfoA	0.758	2.72	0.184	0.828
7	2pokA	0.716	4.68	0.172	0.900
8	1lfwA	0.698	3.43	0.187	0.796
9	4pxbA	0.678	3.41	0.137	0.777
10	5i4mA	0.669	3.36	0.150	0.766

(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	0.45	46	2zofA	MN	Rep, Mult	139,171,435
2	0.38	41	2zofA	MN	Rep, Mult	106,139,140,170,197
3	0.26	21	2zofB	BES	Rep, Mult	106,139,170,171,197,198,199,212,215,335,369,403,405,406,407,435
4	0.02	2	2zofA	BES	Rep, Mult	230,233,323
5	0.01	2	4g1pA	CYS	Rep, Mult	215,335,369,406,435
6	0.01	2	2pokA	BGC	Rep, Mult	269,270,272,375,376,377
7	0.01	2	2pokA	BGC	Rep, Mult	99,381,385,459
8	0.00	1	3x3eA	LYS	Rep, Mult	170,171,172,174,215,335,406
9	0.00	1	3pfeA	IMD	Rep, Mult	403,428

	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	0.600	3dljA	0.909	1.55	0.265	0.940	3.4.13.20	170
2	0.379	1lfwA	0.698	3.43	0.187	0.796	3.4.13.3	170
3	0.345	1f2oA	0.461	2.98	0.165	0.515	3.4.11.24	170
4	0.342	1ampA	0.491	3.19	0.093	0.557	3.4.11.10	170
5	0.333	1r3nA	0.608	4.47	0.110	0.770	3.5.1.6	170
6	0.311	1cg2A	0.620	4.64	0.147	0.787	3.4.17.11	106,139,169,170,435
7	0.289	3ic1A	0.565	3.60	0.169	0.647	3.5.1.18	106,139,170,171
8	0.176	2zofA	0.939	1.07	0.272	0.955	3.4.13.18	170
9	0.067	2afmA	0.486	3.49	0.119	0.557	2.3.2.5	170
10	0.066	3kl9A	0.484	3.16	0.127	0.549	3.4.11.7	139,405,436
11	0.060	1fnoA	0.604	4.00	0.145	0.736	3.4.11.4	139,170,173,197,405
12	0.060	1vgyA	0.599	4.47	0.176	0.753	3.5.1.18	108
13	0.060	3d66A	0.403	4.16	0.076	0.494	3.4.17.20	NA
14	0.060	3ij3A	0.407	4.91	0.089	0.528	3.4.11.1	NA
15	0.060	3ifeA	0.581	4.74	0.096	0.751	3.4.11.4	139,170,197
16	0.060	2ewbA	0.425	4.76	0.126	0.540	3.4.11.1,3.4.11.5	38
17	0.060	1zg7A	0.397	3.99	0.096	0.481	3.4.17.2	NA
18	0.060	3fedA	0.476	3.15	0.118	0.540	3.4.17.21	170
19	0.060	1cpbB	0.252	5.33	0.067	0.338	3.4.17.2	179
20	0.060	1gytJ	0.428	4.56	0.097	0.538	3.4.11.1	NA
21	0.060	1z2lA	0.588	4.60	0.110	0.751	3.5.3.-	170
22	0.060	2zeeA	0.485	3.51	0.119	0.557	2.3.2.5	441
23	0.060	2v77A	0.398	4.13	0.069	0.487	3.4.17.1	NA
24	0.060	1h8lA	0.416	4.04	0.038	0.506	3.4.17.22	NA
25	0.060	3gb0A	0.605	3.96	0.151	0.730	3.4.11.-	NA
26	0.060	2qyvA	0.657	3.35	0.157	0.747	3.4.13.3	44
27	0.060	1kwmA	0.400	4.51	0.079	0.500	3.4.17.2	NA
28	0.060	1z8lA	0.476	3.05	0.130	0.538	3.4.17.21	170

(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	0.62	0.939	1.07	0.27	0.96	2zofA	GO:0004180 GO:0005654 GO:0005737 GO:0005829 GO:0006508 GO:0008152 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0016805 GO:0034701 GO:0043171 GO:0046872 GO:0070062 GO:0070573 GO:0102008
1	0.60	0.909	1.55	0.27	0.94	3dljA	GO:0004180 GO:0005576 GO:0005829 GO:0006508 GO:0008152 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0016805 GO:0032268 GO:0034701 GO:0043171 GO:0046872 GO:0070573
2	0.54	0.842	2.86	0.22	0.94	3pfeA	GO:0008152 GO:0016787 GO:0046872
3	0.52	0.926	1.34	0.26	0.95	4g1pA	GO:0005737 GO:0006508 GO:0006751 GO:0008152 GO:0008233 GO:0008237 GO:0008242 GO:0008270 GO:0016787 GO:0016805 GO:0034701 GO:0043171 GO:0046872 GO:0070573
4	0.47	0.709	3.14	0.17	0.80	3ki9A	GO:0006508 GO:0008152 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0016805 GO:0046872
5	0.46	0.803	2.81	0.20	0.90	4mmoA	GO:0006508 GO:0008152 GO:0008270 GO:0016787 GO:0043171 GO:0046872 GO:0070573
6	0.43	0.773	2.68	0.18	0.84	3pfoA	GO:0008152 GO:0008777 GO:0016787 GO:0016813 GO:0046872
7	0.39	0.716	4.68	0.17	0.90	2pokA	GO:0008152 GO:0016787
8	0.37	0.698	3.43	0.19	0.80	1lfwA	GO:0005737 GO:0006508 GO:0008152 GO:0008233 GO:0008237 GO:0008270 GO:0016787 GO:0016805 GO:0046872
9	0.37	0.608	3.90	0.20	0.72	4o23A	GO:0008152 GO:0008270 GO:0008652 GO:0009014 GO:0009085 GO:0009089 GO:0016787 GO:0019877 GO:0046872 GO:0050897
10	0.35	0.674	3.28	0.14	0.78	4mmoB	GO:0006508 GO:0008152 GO:0008270 GO:0016787 GO:0043171 GO:0046872 GO:0070573
11	0.30	0.565	3.60	0.17	0.65	3ic1A	GO:0005829 GO:0006508 GO:0008152 GO:0008237 GO:0008270 GO:0008652 GO:0009014 GO:0009085 GO:0009089 GO:0016787 GO:0019877 GO:0043171 GO:0046872 GO:0050897 GO:0070573
12	0.29	0.656	3.14	0.20	0.74	2rb7A	GO:0006508 GO:0008152 GO:0008237 GO:0016787
13	0.27	0.593	4.01	0.17	0.71	3ct9B	GO:0006508 GO:0006526 GO:0008152 GO:0008237 GO:0008270 GO:0008777 GO:0016787 GO:0043171 GO:0070573
14	0.23	0.574	4.24	0.19	0.71	4q7aA	GO:0005737 GO:0006508 GO:0008152 GO:0008237 GO:0008270 GO:0009085 GO:0016787 GO:0016811 GO:0050897
15	0.20	0.505	2.15	0.20	0.54	4h2kA	GO:0005829 GO:0006508 GO:0008152 GO:0008237 GO:0008270 GO:0008652 GO:0009014 GO:0009085 GO:0009089 GO:0016787 GO:0019877 GO:0043171 GO:0046872 GO:0050897 GO:0070573
16	0.08	0.504	2.61	0.22	0.55	4onwA	GO:0005829 GO:0006508 GO:0008152 GO:0008237 GO:0008270 GO:0008652 GO:0009014 GO:0009085 GO:0009089 GO:0016787 GO:0019877 GO:0043171 GO:0046872 GO:0050897 GO:0070573
17	0.08	0.653	3.13	0.19	0.73	3x3eB	GO:0005737 GO:0008152 GO:0008270 GO:0008652 GO:0009085 GO:0016787 GO:0016811 GO:0019878 GO:0046872 GO:0050897
18	0.07	0.620	4.64	0.15	0.79	1cg2A	GO:0004180 GO:0006508 GO:0008152 GO:0008233 GO:0008237 GO:0016787 GO:0046872

Consensus prediction of GO terms

Molecular Function	GO:0008270	GO:0034701	GO:0070573	GO:0004180	GO:0102008	GO:0008242
GO-Score	0.96	0.93	0.93	0.85	0.62	0.52
Biological Processes	GO:0006508	GO:0032268	GO:0006751
GO-Score	0.96	0.60	0.52
Cellular Component	GO:0005829	GO:0005654	GO:0070062
GO-Score	0.85	0.62	0.62

(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.