I-TASSER results

I-TASSER results for job id Rv2315c

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

Input Sequence in FASTA format

>protein (505 residues)
MTPNRGIDEDFLDLPRQQLADAALSAAATAGASHADLRVHRISTEIIQLRDGELETAVIS
RELGLAVRVIVAGTWGFASHAELAPDVAAATARHAVHVATVLAALNTERVRLAPEPVYTD
AEWVSNYRIDPFGVPASEKIAVLRDYSGRLLDADGIDHVSASLNAVKEQTFYADTFGSSI
TQQRVRLLPCLDAVAVDSAAGNFESMRTLAPPTARGWEVVAGDEIWNWTDELAQLPSLLA
EKVRAPSVMPGPTDLVIDPTNLWLTIHESIGHATEYDRAIGYEAAYAGTSFATPDKLGTL
RYGSPVMNVTADRTAEFGLATVGYDDEGVAAQSWDLVRDGVFVGYQLDRAFAPRLGEPRS
NGCSYADSPHHVPIQRMANISLQPGIEDLSTADLIGRVDDGIYIVGDKSWSIDMQRYNFQ
FTGQRFFRIRGGQLYGQLRDVAYQSSTTDFWNAMEAVGGPSTWRMGGAINCGKAQPGQVA
AVSHGCPSALFRGVNVLNTRTEGGR

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTPNRGIDEDFLDLPRQQLADAALSAAATAGASHADLRVHRISTEIIQLRDGELETAVISRELGLAVRVIVAGTWGFASHAELAPDVAAATARHAVHVATVLAALNTERVRLAPEPVYTDAEWVSNYRIDPFGVPASEKIAVLRDYSGRLLDADGIDHVSASLNAVKEQTFYADTFGSSITQQRVRLLPCLDAVAVDSAAGNFESMRTLAPPTARGWEVVAGDEIWNWTDELAQLPSLLAEKVRAPSVMPGPTDLVIDPTNLWLTIHESIGHATEYDRAIGYEAAYAGTSFATPDKLGTLRYGSPVMNVTADRTAEFGLATVGYDDEGVAAQSWDLVRDGVFVGYQLDRAFAPRLGEPRSNGCSYADSPHHVPIQRMANISLQPGIEDLSTADLIGRVDDGIYIVGDKSWSIDMQRYNFQFTGQRFFRIRGGQLYGQLRDVAYQSSTTDFWNAMEAVGGPSTWRMGGAINCGKAQPGQVAAVSHGCPSALFRGVNVLNTRTEGGR
Prediction	CCCCCCCCHHHHCCCHHHHHHHHHHHHHHHCCCEEEEEEEEHCEEEEEEHCCEEEEEEHCCCEEEEEEEEHCCEEEEEHCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCEEEEEEEEEEEEEEEEEHCCCCEEEEEEEEEEEEEEEEEEHCCCCCEEEHCCCCCCCCCCHHHCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCEEEEEHCCCHHHHHHHHHHHCHHHHHHHHCCCCCCCCCCCCCCCCCCCCEHCCCCCEEEHCCCCCCCCCCCCCCCCCCCCCCEEEEHCCEEHCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCCCCCCHHHHHHHHCCEEEEEHCCCCCCCCCCCEEEEEEEEEEEEHCCEHCCCCCCEEEEHCHHHHHHCCCEHCCCCEEHCCCCCCCCCCCCCCEEHCCCCCCEEEEHCEEEHCCCCCCCC
Conf.Score	9986547867766879999999999999989988999999975679999899777888576558999999899799998688999999999999999999876777777666765454567777766799555999999999999999998699975889999989999999988996789977777899999999778986776566788766643435665577799999999999999869998988577899958768999999986566787876688644487656655558975658885899789899876556788888887565899778875544698899998999999876688888898877766998579999999999998798799987488876677655899987799998988755546769985699998756355477556568888888999986786678876699965899745566789
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MTPNRGIDEDFLDLPRQQLADAALSAAATAGASHADLRVHRISTEIIQLRDGELETAVISRELGLAVRVIVAGTWGFASHAELAPDVAAATARHAVHVATVLAALNTERVRLAPEPVYTDAEWVSNYRIDPFGVPASEKIAVLRDYSGRLLDADGIDHVSASLNAVKEQTFYADTFGSSITQQRVRLLPCLDAVAVDSAAGNFESMRTLAPPTARGWEVVAGDEIWNWTDELAQLPSLLAEKVRAPSVMPGPTDLVIDPTNLWLTIHESIGHATEYDRAIGYEAAYAGTSFATPDKLGTLRYGSPVMNVTADRTAEFGLATVGYDDEGVAAQSWDLVRDGVFVGYQLDRAFAPRLGEPRSNGCSYADSPHHVPIQRMANISLQPGIEDLSTADLIGRVDDGIYIVGDKSWSIDMQRYNFQFTGQRFFRIRGGQLYGQLRDVAYQSSTTDFWNAMEAVGGPSTWRMGGAINCGKAQPGQVAAVSHGCPSALFRGVNVLNTRTEGGR
Prediction	7436441355114241440043005203734031000000224412030343305403323210000000244220000013023710250053015003202535254141134432562522452523035041630050044005203726403201000112222110000100001110100100000001023423111111101000000100353402500420140033016316166134140100000200010000001000100202312101332411324411433002620001000124401000000111122352400440102000100200321424421000101123110000000000211564221330053043000000022201123212010002000002514143104300010203400330220042130221111001233511101000000001044030012445658
	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                 480                 500

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

Sec.Str
Seq

CCCCCCCCHHHHCCCHHHHHHHHHHHHHHHCCCEEEEEEEEHCEEEEEEHCCEEEEEEHCCCEEEEEEEEHCCEEEEEHCCCCCHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCHHHCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCEEEEEEEEEEEEEEEEEHCCCCEEEEEEEEEEEEEEEEEEHCCCCCEEEHCCCCCCCCCCHHHCCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCEEEEEHCCCHHHHHHHHHHHCHHHHHHHHCCCCCCCCCCCCCCCCCCCCEHCCCCCEEEHCCCCCCCCCCCCCCCCCCCCCCEEEEHCCEEHCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCCCCCCHHHHHHHHCCEEEEEHCCCCCCCCCCCEEEEEEEEEEEEHCCEHCCCCCCEEEEHCHHHHHHCCCEHCCCCEEHCCCCCCCCCCCCCCEEHCCCCCCEEEEHCEEEHCCCCCCCC
MTPNRGIDEDFLDLPRQQLADAALSAAATAGASHADLRVHRISTEIIQLRDGELETAVISRELGLAVRVIVAGTWGFASHAELAPDVAAATARHAVHVATVLAALNTERVRLAPEPVYTDAEWVSNYRIDPFGVPASEKIAVLRDYSGRLLDADGIDHVSASLNAVKEQTFYADTFGSSITQQRVRLLPCLDAVAVDSAAGNFESMRTLAPPTARGWEVVAGDEIWNWTDELAQLPSLLAEKVRAPSVMPGPTDLVIDPTNLWLTIHESIGHATEYDRAIGYEAAYAGTSFATPDKLGTLRYGSPVMNVTADRTAEFGLATVGYDDEGVAAQSWDLVRDGVFVGYQLDRAFAPRLGEPRSNGCSYADSPHHVPIQRMANISLQPGIEDLSTADLIGRVDDGIYIVGDKSWSIDMQRYNFQFTGQRFFRIRGGQLYGQLRDVAYQSSTTDFWNAMEAVGGPSTWRMGGAINCGKAQPGQVAAVSHGCPSALFRGVNVLNTRTEGGR

1vl4A

0.15

0.12

0.84

2.69

MUSTER

--------------TFEEFKDRLFALAKKNGV-EVQISFLETREFSLRLANGDLDQYTDAGKFNVEIKVLKDGKTGTFRTQVLE--NPEKCFEEALSNLQVKKEYFFEGGK--------EYREMETYVGRFEKLSVKEKMDMAKKAHESAAKDERVMVPTVMYKDMVIKKIITNTLGLDVESQMDGGFLFAMAIAR---DANPRSGSWYELAR--TPEDLN------PEEIGKRAAEEAISLIGSKTIPSGKYPVLMRN-TALLDLMEMFIPMISAENVQKNLSPLK-------GKLG-EQVGNPAVSIKDLPYHPKGLSSTPFDDEGVPTTEKFVLENGVLKTFLHNLKTARKEGVE-PTGNGFV------GGIRPVNLMLMPG--EKSFEELLKEMDRGVVITEVEGMGANSISG-EFSLFAKGYWVENGEIAHGVEDITISGNFLDLLRKIVLVGNDVKVSQH-----------------TIAPSVLVEVLDVA--------

1vpbA

0.17

0.15

0.86

4.59

dPPAS

----------MITDENKKLAQWAMDYALKNGCQAAKVLLYSSSNTSFELRD--MDRLQQASEGGLSLSLYVDGRYGSISTNRLNRKELETFIKNGIDSTRYLAKDEARVLADPSRYYKGGKPDLKLYDAKFASLNPDDKIEMAKAVAEEALGKDRIISVGSSYGDGEDFAYRLISNGFEGETKSTWYSLSADITIRGEGEARPSAY---WYESSLYMNDLIKK------GIGQKALERVLRKLGQKKVQSGKYTMVVDPMNSSRLLSPMIS-ALNGSALQQKNSFLLNKL--------NEKIASDRLTLTDEPHLVKASGARYFDNEGIATERRSIFDKGVLNTYFIDTYNAKKMGV-DPTISGS------------SILVMETG--DKNLDGLIAGVEKGILVTGFNGGNNNSSTG-DFSYGIEGFLIENGKLTQPVSEMNVTGNLITLWNSLVATGNDPRLNSSWRI-----------------PSLVFEGVDFSGL------

1vpbA

0.17

0.15

0.86

6.01

wdPPAS

MIT-----------ENKKLAQWAMDYALKNGCQAAKVLLYSSSNTSFELRD--MDRLQQASEGGLSLSLYVDGRYGSISTNRLNRKELETFIKNGIDSTRYLAKDEARVLADPSRYYKGGKPDLKLYDAKFASLNPDDKIEMAKAVAEEALGKDEIISVGSSYGDGEDFAYRLISNGFEGETKSTWYSLSADITIRGEGEARPSAYWYES---SLYMNDLIK------KGIGQKALERVLRKLGQKKVQSGKYTMVVDPMNSSRLLSPMIS-ALNGSALQQKNSFLLNK--------LNEKIASDRLTLTDEPHLVKASGARYFDNEGIATERRSIFDKGVLNTYFIDTYNAKKMGV-DPTISG------------SSILVMETG--DKNLDGLIAGVEKGILVTGFNGGNNNSSTG-DFSYGIEGFLIENGKLTQPVSEMNVTGNLITLWNSLVATGNDPRLNS-----------------SWRIPSLVFEGVDFSGL------

1vpbA

0.18

0.15

0.86

3.27

wMUSTER

----------MITDENKKLAQWAMDYALKNGCQAAKVLLYSSSNTSFELRD--MDRLQQASEGGLSLSLYVDGRYGSISTNRLNRKELETFIKNGIDSTRYLAKDEARVLADPSRYYKGGKPDLKLYDAKFASLNPDDKIEMAKAVAEEALGKDRIISVGSSYGDGEDFAYRLISNGFEGETKSTWYSLSADITIRGEGEARPSAYWYES---SLYMNDLIKKG------IGQKALERVLRKLGQKKVQSGKYTMVVDPMNSSRLLSPMIS-ALNGSALQQ------KNSFLL-NKL-NEKIASDRLTLTDEPHLVKASGARYFDNEGIATERRSIFDKGVLNTYFIDTYNAKKMGV-DPTISGS------------SILVMETG--DKNLDGLIAGVEKGILVTGFNGGNNNSSTG-DFSYGIEGFLIENGKLTQPVSEMNVTGNLITLWNSLVATGNDPRLNS-----------------SWRIPSLVFEGVDFSGL------

1vl4A

0.14

0.12

0.84

5.39

wPPAS

--------------TFEEFKDRLFALAKKNG-VEVQISFLETREFSLRLANGDLDQYTDAGKFNVEIKVLKDGKTGTFRTQVLE--NPEKCFEEALSNLQVKKEYFFEGGK--------EYREMETYVGRFEKLSVKEKMDMAKKAHESAAKDERVMVPTVMYKDMVIKKIITNTLGLDVESQMDGGFLFAMAIAR---DANPRSGSWYELART--PEDLN------PEEIGKRAAEEAISLIGSKTIPSGKYPVLMRN-TALLDLMEMFIPMISAENVQKNLSPLKGK--------LGEQVGNPAVSIKDLPYHPKGLSSTPFDDEGVPTTEKFVLENGVLKTFLHNLKTARKEGV-EPTGNGFV------GGIRPVNLMLMPG--EKSFEELLKEMDRGVVITEVEGMGANSISG-EFSLFAKGYWVENGEIAHGVEDITISGNFLDLLRKIVLVGNDVKVSQH-----------------TIAPSVLVEVLDVA--------

1vpbA

0.17

0.15

0.86

9.73

dPPAS2

----------MITDENKKLAQWAMDYALKNGCQAAKVLLYSSSNTSFELRD--MDRLQQASEGGLSLSLYVDGRYGSISTNRLNRKELETFIKNGIDSTRYLAKDEARVLADPSRYYKGGKPDLKLYDAKFASLNPDDKIEMAKAVAEEALGKDRIISVGSSYGDGEDFAYRLISNGFEGETKSTWYSLSADITIR--GEGEARPSAYWYESSLYMNDLIKKG-------IGQKALERVLRKLGQKKVQSGKYTMVVDPMNSSRLLSPMIS-ALNGSALQQKNSFLLNKL--------NEKIASDRLTLTDEPHLVKASGARYFDNEGIATERRSIFDKGVLNTYFIDTYNAKKMGV-DPTISGS------------SILVMETG--DKNLDGLIAGVEKGILVTGFNGGNNNSSTG-DFSYGIEGFLIENGKLTQPVSEMNVTGNLITLWNSLVATGNDPRLNSSWRI-----------------PSLVFEGVDFSGL------

1vpbA

0.18

0.15

0.86

5.00

PPAS

MIT-----------ENKKLAQWAMDYALKNGCQAAKVLLYSSSNTSFELRD--MDRLQQASEGGLSLSLYVDGRYGSISTNRLNRKELETFIKNGIDSTRYLAKDEARVLADPSRYYKGGKPDLKLYDAKFASLNPDDKIEMAKAVAEEALGKDRIISVGSSYGDGEDFAYRLISNGFEGETKSTWYSLSADITIR--GEGEARPSAYWYESSLYMNDLIKKG-------IGQKALERVLRKLGQKKVQSGKYTMVVDPMNSSRLLSPMIS-ALNGSALQQKNSFLL-------NKLN-EKIASDRLTLTDEPHLVKASGARYFDNEGIATERRSIFDKGVLNTYFIDTYNAKKMGV-DPTISGS------------SILVMETG--DKNLDGLIAGVEKGILVTGFNGGNNNSSTG-DFSYGIEGFLIENGKLTQPVSEMNVTGNLITLWNSLVATGNDPRLNS-----------------SWRIPSLVFEGVDFSGL------

3qtdA

0.16

0.14

0.86

8.14

Env-PPAS

------VGPSVLP-DLREQVEQIIAEARRQGASACEVAVSLEQGLSTSVRQGEVETVEFNRDQGFGITLYAGQRKGSASTSATGEAAIRETVAAALAIARHTSEDECAGLADAA----LARELPELDLYHPWSLSPEQAVERALACEAAAFAADKTKADGTTLNTHQGCRVYGNSHGFIGGYASTRHSLSCVIAEGEG----QQRDYWYDVNR-------RGEALASAESIGRRAAERAASRLGARPVQTAEVPVLFAPEIAVGLFGHFLGAIS-GGSLYRKSSFLE-------GALG-QRLFPEWLSIDERPHLVGALGSASFDSDGLATYAKPFVENGELVSYVLGTYSGRKLGL-PSTANA----------GGVHNLFVSHG--DEDQAALIRRE-RGLLVTELGQG-VNLVTG-DYSRGAAGYWVENGEIQFPVQEVTIAANLRDLFRRIVAVGKDIERRG-----------------NLHTGSVLVESV--------AGR

1vpbA

0.18

0.15

0.86

2.69

MUSTER

MIT-----------ENKKLAQWAMDYALKNGCQAAKVLLYSSSNTSFELRD--MDRLQQASEGGLSLSLYVDGRYGSISTNRLNRKELETFIKNGIDSTRYLAKDEARVLADPSRYYKGGKPDLKLYDAKFASLNPDDKIEMAKAVAEEALGKDRIISVGSSYGDGEDFAYRLISNGFEGETKSTWYSLSADITIR-GEGEARPSAYWYESSL--YMNDLIKK------GIGQKALERVLRKLGQKKVQSGKYTMVVDPMNSSRLLSPMIS-ALNGSALQQKNSFLL-------NKLN-EKIASDRLTLTDEPHLVKASGARYFDNEGIATERRSIFDKGVLNTYFIDTYNAKKMGV-DPTISGS------------SILVMETG--DKNLDGLIAGVEKGILVTGFNGGNNNSSTG-DFSYGIEGFLIENGKLTQPVSEMNVTGNLITLWNSLVATGNDPRLNSSWRI-----------------PSLVFEGVDFSGL------

1vl4A

0.14

0.12

0.84

4.51

dPPAS

--------------TFEEFKDRLFALAKKNGV-EVQISFLETREFSLRLANGDLDQYTDAGKFNVEIKVLKDGKTGTFRTQVLE--NPEKCFEEALSNLQVKKEYFFEGGK--------EYREMETYVGRFEKLSVKEKMDMAKKAHESAAKDERVMVPTVMYKDMVIKKIITNTLGLDVESQMDGGFLFAMAIAR---DANPRSGSWYELAR--TPEDLN------PEEIGKRAAEEAISLIGSKTIPSGKYPVLMRN-TALLDLMEMFIPMISAENVQKNLSPLKGKL--------GEQVGNPAVSIKDLPYHPKGLSSTPFDDEGVPTTEKFVLENGVLKTFLHNLKTARKEGV-EPTGNGFV------GGIRPVNLMLMPG--EKSFEELLKEMDRGVVITEVEGMGANSISG-EFSLFAKGYWVENGEIAHGVEDITISGNFLDLLRKIVLVGNDVKVSQH-----------------TIAPSVLVEVLDVA--------

(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=0.43

Estimated TM-score = 0.77±0.10

Estimated RMSD = 6.4±3.9Å

Download Model 2

C-score=-0.51

Download Model 3

C-score=0.18

Download Model 4

C-score=-1.43

Download Model 5

C-score=-1.55

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	1vpbA	0.847	1.16	0.170	0.863
2	3qtdA	0.819	1.79	0.157	0.857
3	3tv9A	0.790	2.11	0.151	0.842
4	1vl4A	0.782	2.34	0.148	0.842
5	3fahA	0.381	7.41	0.038	0.626
6	1bgxT	0.354	7.12	0.071	0.560
7	1dgjA	0.352	8.01	0.041	0.612
8	4o9xA	0.346	7.49	0.059	0.564
9	2eabA	0.343	8.06	0.042	0.602
10	1u04A	0.342	7.00	0.055	0.527

(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	0.10	5	1opoB	CA	Rep, Mult	325,326
2	0.05	2	1vpb0	III	Rep, Mult	41,47,55,57,58,59,60,61,62,63,77,78,79,80,81,82,91,95,98,99,101,102,103,136,137
3	0.04	2	2z2pA	MHT	Rep, Mult	326,360
4	0.04	2	2z6iB	CA	Rep, Mult	95,98
5	0.02	1	4uzgA	CA	Rep, Mult	379,380
6	0.02	1	3fahA	GOL	Rep, Mult	352,356,357,359,361
7	0.02	1	4p9pC	2CV	Rep, Mult	261,263
8	0.02	1	1c41A	LMZ	Rep, Mult	341,342
9	0.02	1	1uwcA	FER	Rep, Mult	373,379
10	0.02	1	1sijA	FES	Rep, Mult	331,332,333,362,363,377,379
11	0.02	1	1q0kE	THJ	Rep, Mult	16,19
12	0.02	1	1p8nA	MN	Rep, Mult	267,312,325
13	0.02	1	3ak1B	EDO	Rep, Mult	23,24,27
14	0.02	1	2hdnA	GDP	Rep, Mult	418,446,447,448,449
15	0.02	1	2qt6A	CA	Rep, Mult	258,261
16	0.02	1	1vs0A	MG	Rep, Mult	275,277
17	0.02	1	3e6sA	FE	Rep, Mult	268,420
18	0.02	1	3zukA	ZN	Rep, Mult	267,272,377

	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	2e1qA	0.352	7.96	0.050	0.612	1.17.3.2,1.17.1.4	NA
2	0.060	1ultA	0.331	7.38	0.068	0.537	6.2.1.3	NA
3	0.060	3fccA	0.314	7.39	0.029	0.513	6.1.1.13	NA
4	0.060	1vlbA	0.329	7.81	0.046	0.556	1.2.99.7	NA
5	0.060	2hb6A	0.305	7.60	0.064	0.519	3.4.11.1	312
6	0.060	3ecqB	0.326	7.74	0.034	0.556	3.2.1.97	NA
7	0.060	2hb6B	0.313	7.37	0.048	0.513	3.4.11.1	NA
8	0.060	2fugU	0.320	7.24	0.051	0.511	1.6.99.5	254
9	0.060	2pflA	0.326	7.91	0.041	0.556	2.3.1.54	NA
10	0.060	1mswD	0.293	7.54	0.040	0.481	2.7.7.6	NA
11	0.060	1dgjA	0.352	8.01	0.041	0.612	1.2.-.-	NA
12	0.060	1eulA	0.265	7.80	0.039	0.455	3.6.3.8	NA
13	0.060	1ob2A	0.201	7.51	0.030	0.335	3.6.1.48	NA
14	0.060	1amuA	0.319	7.59	0.036	0.527	5.1.1.11	NA
15	0.060	1bgxT	0.354	7.12	0.071	0.560	2.7.7.7	NA
16	0.060	2dkiA	0.314	7.22	0.045	0.499	1.14.13.23	254,428,443
17	0.060	1etuA	0.148	5.71	0.040	0.208	3.6.5.3	NA
18	0.060	1s76D	0.328	7.86	0.047	0.570	2.7.7.6	NA
19	0.060	3la4A	0.322	7.73	0.046	0.543	3.5.1.5	443

(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	0.847	1.16	0.17	0.86	1vpbA	GO:0006508 GO:0008237
1	0.28	0.782	2.34	0.15	0.84	1vl4A	GO:0006508 GO:0008237
2	0.28	0.807	2.12	0.15	0.86	3tv9A	GO:0006508 GO:0008237
3	0.27	0.832	1.80	0.15	0.87	3qtdA	GO:0006508 GO:0008237
4	0.06	0.261	6.81	0.03	0.39	2j5cB	GO:0000287 GO:0008152 GO:0010333 GO:0016829 GO:0046872
5	0.06	0.272	6.78	0.07	0.42	1e3eA	GO:0001523 GO:0003960 GO:0004022 GO:0004024 GO:0004032 GO:0004745 GO:0005503 GO:0005737 GO:0006066 GO:0006067 GO:0006069 GO:0006081 GO:0008270 GO:0016491 GO:0016620 GO:0019115 GO:0019841 GO:0035276 GO:0042572 GO:0046164 GO:0046872 GO:0051287 GO:0055114 GO:1901661
6	0.06	0.243	6.52	0.01	0.36	1xfuA	GO:0000166 GO:0003824 GO:0004016 GO:0005516 GO:0005524 GO:0005576 GO:0005829 GO:0005886 GO:0006171 GO:0006508 GO:0008237 GO:0008294 GO:0009405 GO:0010008 GO:0016829 GO:0046872 GO:0052007
7	0.06	0.244	6.66	0.03	0.37	1sk6B	GO:0000166 GO:0003824 GO:0004016 GO:0005516 GO:0005524 GO:0005576 GO:0005829 GO:0005886 GO:0006171 GO:0006508 GO:0008237 GO:0008294 GO:0009405 GO:0010008 GO:0016829 GO:0046872 GO:0052007
8	0.06	0.247	7.94	0.03	0.41	2ykkA	GO:0004553 GO:0005975 GO:0006080 GO:0016985 GO:0030246 GO:0030248 GO:0046872
9	0.06	0.215	7.02	0.04	0.33	4gzbA	GO:0008800 GO:0016787 GO:0017001 GO:0030288 GO:0033252 GO:0042597 GO:0046677
10	0.06	0.270	7.01	0.04	0.42	3cosD	GO:0001523 GO:0003960 GO:0004022 GO:0004024 GO:0004032 GO:0004745 GO:0005503 GO:0005737 GO:0005829 GO:0006066 GO:0006067 GO:0006069 GO:0006081 GO:0008270 GO:0016491 GO:0016620 GO:0019115 GO:0019841 GO:0035276 GO:0042572 GO:0046164 GO:0046872 GO:0051287 GO:0055114 GO:1901661
11	0.06	0.243	6.67	0.04	0.37	1sk6C	GO:0000166 GO:0003824 GO:0004016 GO:0005516 GO:0005524 GO:0005576 GO:0005829 GO:0005886 GO:0006171 GO:0006508 GO:0008237 GO:0008294 GO:0009405 GO:0010008 GO:0016829 GO:0046872 GO:0052007
12	0.06	0.182	5.97	0.02	0.26	4xvwA	GO:0005623 GO:0045454
13	0.06	0.203	7.27	0.03	0.33	2bgsA	GO:0004032 GO:0016491 GO:0055114
14	0.06	0.169	5.46	0.03	0.23	3lktM	GO:0003824 GO:0005506 GO:0006725 GO:0008199 GO:0016491 GO:0016702 GO:0018578 GO:0019439 GO:0019619 GO:0042952 GO:0046872 GO:0051213 GO:0055114
15	0.06	0.181	6.21	0.04	0.26	3iqeA	GO:0006730 GO:0008901 GO:0015948 GO:0016491 GO:0019386 GO:0030268 GO:0055114
16	0.06	0.196	6.59	0.02	0.30	1lrtA	GO:0000166 GO:0003824 GO:0003938 GO:0005737 GO:0006164 GO:0006177 GO:0016491 GO:0046872 GO:0055114
17	0.06	0.170	6.37	0.05	0.25	4wiqA	GO:0002011 GO:0002162 GO:0003779 GO:0005509 GO:0005576 GO:0005604 GO:0005615 GO:0005634 GO:0005654 GO:0005737 GO:0005856 GO:0005886 GO:0005911 GO:0005913 GO:0005925 GO:0006509 GO:0006607 GO:0007016 GO:0008307 GO:0009279 GO:0010470 GO:0010717 GO:0014044 GO:0015631 GO:0016010 GO:0016011 GO:0016020 GO:0016021 GO:0016032 GO:0016323 GO:0016340 GO:0017166 GO:0019048 GO:0021682 GO:0022011 GO:0030027 GO:0030054 GO:0030175 GO:0030336 GO:0032403 GO:0033268 GO:0034453 GO:0042169 GO:0042383 GO:0043034 GO:0043409 GO:0043434 GO:0045121 GO:0045202 GO:0045211 GO:0051393 GO:0051898 GO:0060441 GO:0060445 GO:0070062 GO:0070938 GO:0071679 GO:0071711 GO:1904261
18	0.06	0.171	5.59	0.06	0.24	4za6A	GO:0003677

Consensus prediction of GO terms

Molecular Function	GO:0008237
GO-Score	0.76
Biological Processes	GO:0006508
GO-Score	0.76
Cellular Component
GO-Score

(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.