I-TASSER results

I-TASSER results for job id Rv0152c

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

Input Sequence in FASTA format

>protein (525 residues)
MRCRPPSRNRSAHTARNTRPCSLKSRRFTVRFHQTLAAAANSYADAEAAIASTRQNQLAV
PAAAPTPAAAAMIPPFPANLTTLFFGPTGIPLPPPSMLTPPIRCRSVRRALQAVFTPEEL
YPLTGVRSLVLNTSVEEGLTILHDAIMVELATTGNAVTVFGWSQSAIIASLEMQRFTAMG
GAAPSASDLNFVLVGNEMNPNGGMLARFPDLTLPTLDLTFYGATPSDTIYPTAIYTLEYD
GFADFSRYPLNFISDLNAVAGITFVHTKYLDLTPAQVEGATKLPTSPGYTGVTDYYIIRT
ENRPLLQPLRAVPVIGDPLADLIQPNLKVIVNLGYGDPNYGYSTSYADVRTPFGLWPNVP
PQVIADALAAGTQEGILDFTADLQALSAQPLTLPQIQLPQPADLVAAVAAAPTPAEVVNT
LARIISTNYAVLLPTVDIALALVTTLPLYTTQLFVRQLAAGNLINAIGYPLAATVGLGTI
DSGRRGIAHPPRGGLGHRSKHRGPRHLTDSRRHRRPPTTVYRPRQ

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MRCRPPSRNRSAHTARNTRPCSLKSRRFTVRFHQTLAAAANSYADAEAAIASTRQNQLAVPAAAPTPAAAAMIPPFPANLTTLFFGPTGIPLPPPSMLTPPIRCRSVRRALQAVFTPEELYPLTGVRSLVLNTSVEEGLTILHDAIMVELATTGNAVTVFGWSQSAIIASLEMQRFTAMGGAAPSASDLNFVLVGNEMNPNGGMLARFPDLTLPTLDLTFYGATPSDTIYPTAIYTLEYDGFADFSRYPLNFISDLNAVAGITFVHTKYLDLTPAQVEGATKLPTSPGYTGVTDYYIIRTENRPLLQPLRAVPVIGDPLADLIQPNLKVIVNLGYGDPNYGYSTSYADVRTPFGLWPNVPPQVIADALAAGTQEGILDFTADLQALSAQPLTLPQIQLPQPADLVAAVAAAPTPAEVVNTLARIISTNYAVLLPTVDIALALVTTLPLYTTQLFVRQLAAGNLINAIGYPLAATVGLGTIDSGRRGIAHPPRGGLGHRSKHRGPRHLTDSRRHRRPPTTVYRPRQ
Prediction	CCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCCCCCCCCHHHHHHHCCCCCCCCEEEHCCCCCHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCEEEEEHCHHHHHHHHHHHHHHHCCCCCCCCCEEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCHHHCCCCCCCEEHCCCCCCEEEEEEHCCCCCHHHHHHHCCCCCHHHHHHHCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCHHHHHHCCCCCHHHHHHHHHHHCCHHHHHHCHHHHHHHHHHHHCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Conf.Score	988888766655666665799999999999999999876654333345555655554567777777777777788777665567689899999865655555567788756776698644566788888667789999999999999997578996999997678999999999999768999998758999986899998875456887656766888888899998875899997688878899987678999999999987655668999776677755656667889857999959999778888875898757888766555655665788888888888888888776788888678888999888777788888766778888888888888876666677778888545567777656776545775444456665477654889999999868566665456677888876556545656788777766667887655665566789876678899
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MRCRPPSRNRSAHTARNTRPCSLKSRRFTVRFHQTLAAAANSYADAEAAIASTRQNQLAVPAAAPTPAAAAMIPPFPANLTTLFFGPTGIPLPPPSMLTPPIRCRSVRRALQAVFTPEELYPLTGVRSLVLNTSVEEGLTILHDAIMVELATTGNAVTVFGWSQSAIIASLEMQRFTAMGGAAPSASDLNFVLVGNEMNPNGGMLARFPDLTLPTLDLTFYGATPSDTIYPTAIYTLEYDGFADFSRYPLNFISDLNAVAGITFVHTKYLDLTPAQVEGATKLPTSPGYTGVTDYYIIRTENRPLLQPLRAVPVIGDPLADLIQPNLKVIVNLGYGDPNYGYSTSYADVRTPFGLWPNVPPQVIADALAAGTQEGILDFTADLQALSAQPLTLPQIQLPQPADLVAAVAAAPTPAEVVNTLARIISTNYAVLLPTVDIALALVTTLPLYTTQLFVRQLAAGNLINAIGYPLAATVGLGTIDSGRRGIAHPPRGGLGHRSKHRGPRHLTDSRRHRRPPTTVYRPRQ
Prediction	751433545423320350200030033014201300100020100000000210232222211121132222122222321100023111011112102310422124131200100000000111432213200230152025103532533633000000010000003003400744443132320000000002222000112122110000112131110350302000000000000000210000001000000000101111213163045332221344440200000010620000100220111341003002330320032003324343444214131213213413133023201410142043014414334422233341431434434444443443352243024213441110101031120002001312020004102723012001100000000000000010001023222233353422430354443542233324258
	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                 520

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

Sec.Str
Seq

CCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCCCCCCCCHHHHHHHCCCCCCCCEEEHCCCCCHCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHCCCCCEEEEEHCHHHHHHHHHHHHHHHCCCCCCCCCEEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCCCCCCHHHCCCCCCCEEHCCCCCCEEEEEEHCCCCCHHHHHHHCCCCCHHHHHHHCCHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCCCCCCCCHHHHHHCCCCCHHHHHHHHHHHCCHHHHHHCHHHHHHHHHHHHCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MRCRPPSRNRSAHTARNTRPCSLKSRRFTVRFHQTLAAAANSYADAEAAIASTRQNQLAVPAAAPTPAAAAMIPPFPANLTTLFFGPTGIPLPPPSMLTPPIRCRSVRRALQAVFTPEELYPLTGVRSLVLNTSVEEGLTILHDAIMVELATTGNAVTVFGWSQSAIIASLEMQRFTAMGGAAPSASDLNFVLVGNEMNPNGGMLARFPDLTLPTLDLTFYGATPSDTIYPTAIYTLEYDGFADFSRYPLNFISDLNAVAGITFVHTKYLDLTPAQVEGATKLPTSPGYTGVTDYYIIRTENRPLLQPLRAVPVIGDPLADLIQPNLKVIVNLGYGDPNYGYSTSYADVRTPFGLWPNVPPQVIADALAAGTQEGILDFTADLQALSAQPLTLPQIQLPQPADLVAAVAAAPTPAEVVNTLARIISTNYAVLLPTVDIALALVTTLPLYTTQLFVRQLAAGNLINAIGYPLAATVGLGTIDSGRRGIAHPPRGGLGHRSKHRGPRHLTDSRRHRRPPTTVYRPRQ

3ajaA

0.16

0.07

0.45

1.73

wdPPAS

-------------------------------------------------------------ADCPDVMMVSIPGTWESSPTDDPFNPTQFPLSLMSNISKPLAEQFGPDRVYTTPYTAQFHNFAADKQMSYNDSRAEGMRTTVKAMTDMNDRPLTSYVIAGFSQGAVIAGDIASDIGNGRGPVDEDLVLGVTLIADGRRQMGVGQDVGPNPAGQGAGLTMTGPRPGGFDNRTNQICGSGDLICSAPEQAFSVFNLPKTLETLSPVHALYNTPQFWVENGQTATQWTLE--------LVENAPHP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4b2nA

0.11

0.96

1.07

PPAS

LHNPPPFVNRLPPRPTTCGQFRASATRGRVNLEER--QFFQPMALATSYHFIFLQWGYLIRPPDFEEQVSKRYGLYPAPFRNPYPLPGEDPNQTNGGSGQLKDDNGRWTGLIGAGTASEASFKWGLPNSANDAGLLASDMFRTTPITALGNLLPLPWSTGRGSSDAIGLISLLPALFDMETLTLAPSLLEYVADAPHAGMDGSLSSDNVHSEM-AFGVANIFRDANARRGLEDEFEDINNFLLSPATYPKTINTALAEQGAVIYHERDLWASGANGAIPKPAGNADPNYLPDPRLKGVAAVVTPWAYNNLSPSWTGYPSDNIVASELRRVPRAIYNNGGPIYSPLGPNIWEEPTAPPLYGAWATAPYFHNGSVPNLWGVLKPSDRPKLWKRPYTAAGIGGKNAGYDYSFASYDWQKLGWKYTAVACNNSIFTSPFLPCTHNMATIDILYSMWDNVAAQYLNLAYQSPPPITDQQIKSRMVYNSYL----YGNDNGGHD----TQ-SLTDSERWA----TL-----

3ajaA

0.18

0.08

0.44

1.73

wPPAS

-------------------------------------------------------------ADCPDVMMVSIPGTWESSPTDDPFNPTQFPLSLMSNISKPLAEQFGPDRVYTTPYTAQFHPFAADKQMSYNDSRAEGMRTTVKAMTDMNDRPLTSYVIAGFSQGAVIAGDIASDIGNGRGPVDEDLVLGVTLIADGRRQMGVGQDVGPNPALSALGLTMTGPRPGGFDNRTNQICGSGDLICSAPEQAFSVFNLPKTLETLSPVHALYNTPQFWVENGQTA----------TQWTLVENAPHP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3we0A

0.10

0.09

0.93

0.76

MUSTER

---KKPITIFGPDFPFAFDDWLEHPAGLGSAARHGEEVAAGIAGLVAAYELMKLGLKPVVYEASKMGGRLRSQAFNGTDGIIAELGGMRFPVSSTAFYHYVDKLGLETKPFPNPLTPASRSTVIDLEGQTLPALFQEVTDAWADALESGARFGDIQQAIRDRDRLKELWNTLVPLWDDRSKAFAKLSFQHREVFGQVGFGTGGWDSDFPNSMLEIFRVVMTNCDDHQHLVVGGVEQVPQGIWRHVPERCAH-WPEGTSLSSLHGGAPRTGVKRIARASDGRLAVTDNWGDCRHYAAVLTT--CQSWLLTTQIDCEESLFSQKMWMALDRTTFVMVDRPFWKDKDPETGRDLMSMTLTDRLTRGTYLFDVEKRVQLALDALKKIYPKTDIAGHIIGDPITIEADPHFLGAFKGALPGHYRYNQRMYAHFMQAQMPVEQIAGDDVSWTPAW-------------VEGAVQTSLNAVWGIMNHFGG---KTHADNPGPGDVFDEIGQIALAD----------------

5gaoE

0.15

0.10

0.64

0.91

dPPAS

--------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA---AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA--------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA---------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA-----------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAARAA--------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK--------------------------------------------------------------------------------------------

4btgA

0.12

0.11

0.88

0.77

wMUSTER

GALQLPLQTRSASMGVMYARLFFQYAQAVDELVNQFTEYHQSTACNPEIWRKLTAYITGSSNRAIKADAVGKVPPTAILEQLRTLAPSEHEL-FHHITTDFVCHVLSPLGFILPDAAYVYRVGRTATYPNFYALVDCVRASDLRRMLTALSSVDSKML----ATGALAPALISQHLANAATTAFE-------------RSRGNFDAAVVSSVLTILGRLWSPSTPKEL---------------DPSARLRNT--GIDQLRSNLALFIAYQDMVKQR--GRAEVIFSDEE--------LSSTIIPWIEAMSEVPFKLRPINETTSYIQTSAIDMGYEDWQFAKEITAKLANNSNQRFLDVESDRMSATLAPIGNTAVSAFVKNRTAVYEAVSQRGTVNSNGAEMTLGFPSVVRDPMVAIAALRTGIVDESLEARASNDLKRSMFN----YYAAVMHYAVAHNPEVV-----VSEHQGVAAEQGSLYLV-------WNVRTELRGYNAIEGGSRTPEPPSEVLQAKV

3ajaA

0.19

0.08

0.43

2.04

dPPAS2

-------------------------------------------------------------ADCPDVMMVSIPGTWESSPTDDPFNPTQFPLSLMSNISKPLAEQFGPDRVYTTPYTAQFHPFAADKQMSYNDSRAEGMRTTVKAMTDMNDRCPLTYVIAGFSQGAVIAGDIASDIGNGRGPVDEDLVLGVTLIADGRRQMGVGQDVGPNPAGQGAGLTMTGPRPGGFDNRTNQICGSGDLICSAPFSVFNLPKTLETLSG--PVHALYNTPQFWVENGQTATQNAPHP--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3ajaA

0.19

0.08

0.44

1.27

PPAS

-------------------------------------------------------------ADCPDVMMVSIPGTWESSPTDDPFNPTQFPLSLMSNISKPLAEQFGPDRVYTTPYTAQFHPFAADKQMSYNDSRAEGMRTTVKAMTDMNDRPLTSYVIAGFSQGAVIAGDIASDIGNGRGPVDEDLVLGVTLIADGRRQMGVGQDVGPNPALSALGLTMTGPRPGGFDNRTNQICGSGDLICSAPFSVFNLPKTLETLSG--PVHALYNTPQFWVENGQTATQWTLE--------LVENAPHP-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

3hc7A

0.17

0.08

0.46

1.57

Env-PPAS

-----------------------------------------------------------------------------SKPWLFTVHGTGQPDPGPGLPADTARDVLDIYRWQPINYPAAAFP--------MWPSVEKGVAELILQIELKLDAPYADFAMAGYSQGAIVVGQVLKHHILPPTGRLHHRLKKVIFWGNPMRQKGFAHSDEWIHPVAAPDTLGILEDREQYGFEVRDYAHDGDMYASIKEDDLH--EYEVAIGRIVMKASGFIG----------------GRDS-------------VVAQLIELGQR--PITEGI-ALAGAIIDALT---FFARSRMGDKWPHLYNRYPAVEFLRQ-----------------------------------------------------------------------------------------------------------------------------------------------------------------

4qo5A

0.11

0.93

0.74

MUSTER

VNLQEAVAK-LKNVSPQTKTCLSCHISVTPGIVADWLKSKMAHVTPAEAWQKPALEREVSTPLDEIPANLRNVVVLNPEKHPDTIDHFGFKIHPIVTPNDCAVCHRTEVEQYS----------KSSKAWAYYNLMHNPIYRALVNASTMFTCMGKTFGGERTSQETSCLACHGTVVKVVGTVDTISHGIPVTLVKYEGYPNHGVGRVNPDGSLGACTACHPRHSFDIEIARSPYTCGQ----CHLDPDVPAFNVWKESKHGNIWF------MHHKKYNMKAPAWKPGADFTAPTCATMSL---------LVNPVTGEVIAERTHNVDTRL---WVRLFGLIYAHPMPRTGQHFKLSVEAMPESTAEALAKQGLTIAKALVGVKLPMPISLAPDIKTGKFLYATLPDGSPGLISEEEMAKRREQMVNTEYAERMRLLDTQIEETNKATLKTTVLLLKAWQSGKPVTLFDEYIEKLWVESWLFYSNSITAM---NGQDWTTFKRGWYQLTKDIEHMKTLLRLWEAAR

(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=-1.74

Estimated TM-score = 0.50±0.15

Estimated RMSD = 11.6±4.5Å

Download Model 2

C-score=-1.75

Download Model 3

C-score=-3.84

Download Model 4

C-score=-4.30

Download Model 5

C-score=-2.95

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	3we0A	0.871	2.53	0.082	0.933
2	4iv9A	0.789	3.07	0.099	0.876
3	2yr4A	0.785	3.48	0.093	0.899
4	2iidA	0.686	3.87	0.091	0.792
5	3x0vA	0.666	4.03	0.096	0.783
6	1gosA	0.631	4.41	0.074	0.762
7	2x0lA	0.628	5.03	0.075	0.796
8	1b5qB	0.626	4.40	0.062	0.766
9	4fweA	0.625	4.82	0.085	0.779
10	2vvmA	0.623	4.48	0.070	0.758

(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	0.24	10	3we0B	FAD	Rep, Mult	62,63,64,68,69,70,86,87,89,90,270,271,300,303,312,335,406,409,410,461,462,463,466
2	0.02	1	2vn4A	MAN	Rep, Mult	413,414
3	0.02	1	3dd5B	DEP	Rep, Mult	88,128,163,164
4	0.02	1	1f8sA	BE2	Rep, Mult	14,171,173,216,217
5	0.02	1	2xmrA	CA	Rep, Mult	78,335
6	0.02	1	2npiA	MG	Rep, Mult	293,307
7	0.02	1	3a0bK	III	Rep, Mult	308,309,312,327,331
8	0.02	1	1fp4B	CA	Rep, Mult	103,119
9	0.02	1	1ordA	PLP	Rep, Mult	343,344,345
10	0.02	1	2gnmB	MN	Rep, Mult	240,242
11	0.02	1	1qbgB	FAD	Rep, Mult	230,231
12	0.02	1	2zcpA	MG	Rep, Mult	317,321

	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	0.112	2yr4A	0.785	3.48	0.093	0.899	1.13.12.9	353
2	0.108	1f8rA	0.686	3.87	0.091	0.792	1.4.3.2	NA
3	0.090	1b37B	0.626	4.41	0.062	0.766	1.5.3.15,1.5.3.14	NA
4	0.077	2vvmA	0.623	4.48	0.070	0.758	1.4.3.4	NA
5	0.072	2iveA	0.566	4.35	0.088	0.686	1.3.3.4	NA
6	0.067	2z5xA	0.628	4.38	0.074	0.758	1.4.3.4	NA
7	0.067	3cn8B	0.595	4.37	0.070	0.726	1.5.3.17	63,466
8	0.066	2jaeA	0.560	4.01	0.072	0.653	1.4.3.2	91
9	0.060	3bi2B	0.595	4.33	0.073	0.724	1.5.3.11	NA
10	0.060	3lovA	0.565	4.15	0.073	0.672	1.3.3.4	63,71,87,463
11	0.060	2jb2A	0.560	4.00	0.074	0.653	1.4.3.2	63,300,304,409,411,466
12	0.060	1oj9A	0.632	4.39	0.072	0.762	1.4.3.4	NA
13	0.060	1rsgA	0.578	4.48	0.073	0.709	1.5.3.11	NA
14	0.060	1fohC	0.452	5.26	0.050	0.591	1.14.13.7	NA
15	0.060	1v0jA	0.456	5.54	0.066	0.608	5.4.99.9	NA
16	0.060	3he3A	0.460	5.23	0.061	0.596	5.4.99.9	NA
17	0.060	1kdgB	0.432	5.92	0.072	0.596	1.1.99.18,	NA
18	0.060	2gmjA	0.461	5.40	0.059	0.617	1.5.5.1	273
19	0.060	3i6dB	0.581	4.06	0.085	0.690	1.3.3.4	NA
20	0.060	3cp8A	0.441	5.82	0.068	0.602	1.-.-.-	NA
21	0.060	1o5wC	0.633	4.40	0.076	0.762	1.4.3.4	NA
22	0.060	2dkiA	0.465	5.61	0.059	0.623	1.14.13.23	264
23	0.060	1gpeA	0.437	6.07	0.049	0.608	1.1.3.4	NA
24	0.060	2qcuB	0.437	5.45	0.066	0.577	1.1.5.3	NA
25	0.060	1pj6A	0.440	5.59	0.072	0.596	1.5.3.10	NA
26	0.060	1sezA	0.558	4.93	0.078	0.703	1.3.3.4	NA
27	0.060	1i8tA	0.448	5.15	0.065	0.579	5.4.99.9	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	0.19	0.871	2.53	0.08	0.93	3we0A	GO:0000166 GO:0004497 GO:0016491 GO:0050067 GO:0055114
1	0.16	0.798	3.47	0.09	0.91	3ayiA	GO:0000166 GO:0004497 GO:0016491 GO:0050172 GO:0055114
2	0.16	0.785	3.48	0.09	0.90	2yr4A	GO:0000166 GO:0004497 GO:0016491 GO:0050172 GO:0055114
3	0.16	0.789	3.07	0.10	0.88	4iv9A	GO:0004497 GO:0009851 GO:0016491 GO:0050361 GO:0055114
4	0.15	0.568	4.82	0.08	0.71	1sezA	GO:0004729 GO:0005739 GO:0006779 GO:0006782 GO:0006783 GO:0016491 GO:0055114
5	0.10	0.682	3.89	0.09	0.79	3kveA	GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0046872 GO:0055114
6	0.10	0.685	3.69	0.09	0.79	1reoA	GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0055114
7	0.10	0.675	3.75	0.09	0.78	4e0vB	GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0055114
8	0.09	0.686	3.87	0.09	0.79	1f8rA	GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0055114
9	0.07	0.632	4.39	0.07	0.76	4a79A	GO:0005739 GO:0005740 GO:0005741 GO:0005743 GO:0008131 GO:0009055 GO:0009636 GO:0010044 GO:0010269 GO:0014063 GO:0016020 GO:0016021 GO:0016491 GO:0021762 GO:0032496 GO:0042420 GO:0042493 GO:0042803 GO:0045471 GO:0045964 GO:0048545 GO:0050660 GO:0050665 GO:0051412 GO:0055114 GO:0070062
10	0.07	0.623	4.48	0.07	0.76	2vvmA	GO:0005777 GO:0016491 GO:0055114
11	0.07	0.629	4.56	0.06	0.78	3kpfA	GO:0016491 GO:0052893 GO:0052896 GO:0052897 GO:0052898 GO:0052900 GO:0055114
12	0.07	0.633	4.40	0.08	0.76	1o5wC	GO:0005739 GO:0005741 GO:0006584 GO:0008131 GO:0016020 GO:0016021 GO:0016491 GO:0042135 GO:0042424 GO:0042428 GO:0042443 GO:0050660 GO:0051378 GO:0055114
13	0.07	0.614	5.09	0.06	0.79	4uirA	GO:0005504 GO:0006629 GO:0006631 GO:0009636 GO:0016491 GO:0016829 GO:0050151 GO:0055114 GO:0070542 GO:0071949
14	0.07	0.619	4.51	0.08	0.75	3rhaA	GO:0016491 GO:0050232 GO:0055114
15	0.07	0.612	4.27	0.10	0.73	2yg3B	GO:0000166 GO:0016491 GO:0055114
16	0.07	0.577	4.51	0.09	0.71	3nksA	GO:0004729 GO:0005739 GO:0005743 GO:0005758 GO:0006779 GO:0006782 GO:0006783 GO:0016020 GO:0016491 GO:0031304 GO:0031305 GO:0031966 GO:0042493 GO:0046501 GO:0050660 GO:0055114
17	0.07	0.566	4.35	0.09	0.69	2iveA	GO:0004729 GO:0005737 GO:0006779 GO:0006782 GO:0006783 GO:0016020 GO:0016491 GO:0055114
18	0.07	0.569	4.98	0.09	0.72	4dsgA	GO:0000166 GO:0016491 GO:0055114

Consensus prediction of GO terms

Molecular Function	GO:0016703	GO:0000166	GO:0070818	GO:0016634
GO-Score	0.59	0.43	0.31	0.31
Biological Processes	GO:0055114	GO:0009850	GO:0042446	GO:0044711	GO:0046148	GO:0046501	GO:0042168	GO:0006779
GO-Score	0.59	0.32	0.32	0.31	0.31	0.31	0.31	0.31
Cellular Component	GO:0044444	GO:0043231
GO-Score	0.31	0.31

(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.