I-TASSER results

I-TASSER results for job id Rv3403c

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

Input Sequence in FASTA format

>protein (533 residues)
MLAFPYLMTMITPPTFDVAFIGSGAACSMTLLEMADALLSSPSASPKLRIAVVERDEQFW
CGIPYGQRSSIGSLAIQKLDDFADEPEKAAYRIWLEQNKQRWLAFFQAEGGAAAARWICD
NRDALDGNQWGELYLPRFLFGVFLSEQMIAAIAALGERDLAEIVTIRAEAMSAHSADGHY
RIGLRPSGNGPTAIAAGKVVVAIGSPPTKAILASDSEPAFTYINDFYSPGGESNVARLRD
SLDRVESWEKRNVLVVGSNATSLEALYLMRHDARIRARVRSITVISRSGVLPYMICNQPP
EFDFPRLRTLLCTEAIAAADLMSAIRDDLATAEERSLNLADLYDAVAALFGQALHKMDLV
QQEEFFCVHGMNFTKLVRRAGRDCRQASEELAADGTLSLLAGEVLRVDACASGQPFATMT
YRAAGAEHTHPVPFAAVVNCGGFEELDTCSSPFLVSAMQNGLCRPNRTNRGLLVNDDFEA
SPGFCVIGPLVGGNFTPKIRFWHVESAPRVRSLAKSLAASLLASLQPVALAPC

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLAFPYLMTMITPPTFDVAFIGSGAACSMTLLEMADALLSSPSASPKLRIAVVERDEQFWCGIPYGQRSSIGSLAIQKLDDFADEPEKAAYRIWLEQNKQRWLAFFQAEGGAAAARWICDNRDALDGNQWGELYLPRFLFGVFLSEQMIAAIAALGERDLAEIVTIRAEAMSAHSADGHYRIGLRPSGNGPTAIAAGKVVVAIGSPPTKAILASDSEPAFTYINDFYSPGGESNVARLRDSLDRVESWEKRNVLVVGSNATSLEALYLMRHDARIRARVRSITVISRSGVLPYMICNQPPEFDFPRLRTLLCTEAIAAADLMSAIRDDLATAEERSLNLADLYDAVAALFGQALHKMDLVQQEEFFCVHGMNFTKLVRRAGRDCRQASEELAADGTLSLLAGEVLRVDACASGQPFATMTYRAAGAEHTHPVPFAAVVNCGGFEELDTCSSPFLVSAMQNGLCRPNRTNRGLLVNDDFEASPGFCVIGPLVGGNFTPKIRFWHVESAPRVRSLAKSLAASLLASLQPVALAPC
Prediction	CCCCCCCCCCCCCCCCEEEEHCCCHHHHHHHHHHHHHHHHCCCCCCCEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCEEEEEEEEEEEEEEEHCCEEEEEEEHCCCCCEEEEHCEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCEEEHCCCCHHHHHHHHHHHCCCCCCCCCEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCEEEEEEEEEEEEHCCCCCEEEEEEEHCCCCCCEEEEEEEEEEHCCCCCCCCCCCCHHHHHHHHHCCCEHCCCCCEEEHCCCCCCCCCEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCC
Conf.Score	99998888889998757999889789999999999998867778898599999699988887657889987767667655566788877644456777589988765567776556666655455667787789999999999999999999986657768999999999999985998999999958996799977899957999988887655566655567877776545677774555455678898599986885899999999977888887776999968998887677888877766666654555665788999999999999987987789999999999999997999999999999867888887568868999999999989989998566678875777758999985688877578998599978988777766698999999989845578887578779988778858975566786666556554455589999999999999997676555789
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MLAFPYLMTMITPPTFDVAFIGSGAACSMTLLEMADALLSSPSASPKLRIAVVERDEQFWCGIPYGQRSSIGSLAIQKLDDFADEPEKAAYRIWLEQNKQRWLAFFQAEGGAAAARWICDNRDALDGNQWGELYLPRFLFGVFLSEQMIAAIAALGERDLAEIVTIRAEAMSAHSADGHYRIGLRPSGNGPTAIAAGKVVVAIGSPPTKAILASDSEPAFTYINDFYSPGGESNVARLRDSLDRVESWEKRNVLVVGSNATSLEALYLMRHDARIRARVRSITVISRSGVLPYMICNQPPEFDFPRLRTLLCTEAIAAADLMSAIRDDLATAEERSLNLADLYDAVAALFGQALHKMDLVQQEEFFCVHGMNFTKLVRRAGRDCRQASEELAADGTLSLLAGEVLRVDACASGQPFATMTYRAAGAEHTHPVPFAAVVNCGGFEELDTCSSPFLVSAMQNGLCRPNRTNRGLLVNDDFEASPGFCVIGPLVGGNFTPKIRFWHVESAPRVRSLAKSLAASLLASLQPVALAPC
Prediction	62421413336553223001120100000000000231264455545010000043640000000126211000001202111130331201210242122004114234223224113432342445434320000110030013003400540474230303213020120335642010002143643330200000000000123312434434232102101212002202313321441524452200000000000000000132343434402000000000002110431341322412422222212024003201410440463422022003102510240033033621330034013102300110024024104401742202022020330342464421020113443454323020100000010531532221003201630102110100000012414112100000001201222321010010032005103400430053245241448
	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

CCCCCCCCCCCCCCCCEEEEHCCCHHHHHHHHHHHHHHHHCCCCCCCEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCCHHHHHHHHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHCCCCCEEEEEEEEEEEEEEEHCCEEEEEEEHCCCCCEEEEHCEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHCCCCCCCCCEEEHCCCCHHHHHHHHHHHCCCCCCCCCEEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHCCEEEEEEEEEEEEHCCCCCEEEEEEEHCCCCCCEEEEEEEEEEHCCCCCCCCCCCCHHHHHHHHHCCCEHCCCCCEEEHCCCCCCCCCEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCC
MLAFPYLMTMITPPTFDVAFIGSGAACSMTLLEMADALLSSPSASPKLRIAVVERDEQFWCGIPYGQRSSIGSLAIQKLDDFADEPEKAAYRIWLEQNKQRWLAFFQAEGGAAAARWICDNRDALDGNQWGELYLPRFLFGVFLSEQMIAAIAALGERDLAEIVTIRAEAMSAHSADGHYRIGLRPSGNGPTAIAAGKVVVAIGSPPTKAILASDSEPAFTYINDFYSPGGESNVARLRDSLDRVESWEKRNVLVVGSNATSLEALYLMRHDARIRARVRSITVISRSGVLPYMICNQPPEFDFPRLRTLLCTEAIAAADLMSAIRDDLATAEERSLNLADLYDAVAALFGQALHKMDLVQQEEFFCVHGMNFTKLVRRAGRDCRQASEELAADGTLSLLAGEVLRVDACASGQPFATMTYRAAGAEHTHPVPFAAVVNCGGFEELDTCSSPFLVSAMQNGLCRPNRTNRGLLVNDDFEASPGFCVIGPLVGGNFTPKIRFWHVESAPRVRSLAKSLAASLLASLQPVALAPC

4b63A

0.12

0.10

0.83

1.36

MUSTER

----PRLRSTPQDELHDLLCVGFGPASLAIAIALHDALDPRLNKSAQPKICFLERQKQFAW-------HSGMLVPGSKMQI----SFIKDLATLRDPR-----------SSFTFLNYLHQKGRLIHFTNLSTFLPARLEFEDYMRWCAQQF--SDVVAYGEEVVEVIPGKSDPSSSVDFFTVRSRNVETGESARRTRKVVIAIGG--TAKMPSGLPQDPRIIHSSKYC---------TTLPALLKDKSKPYNIAVLGSGQSAAEIFHDLQKRYPN----SRTTLIMRD--------------------SAMRPSDDSPFVNEIFNPERVDKFYSQS------AAERQRSLLADKATNYSVVRLELIEEIYNDMYLQRVKNPD---------ETQWQHRILPERKITRVEHHGPQSRMRIHLKSSKPVK-ETLEVDALMVATGYNR--NAHERLLSKVQHLRPWKPHRDY-RVEMDPSKSSEAGIWLQGCNERTHGLSDSLLS------VLAVRGGEMVQSIFGEQLERAA---

4b63A

0.11

0.09

0.84

1.63

dPPAS

----PRLRSTPQDELHDLLCVGFGPASLAIAIALHDALPRLNKSAAQPKICFLERQKQF-------AWHSGMLVPGSKMQISFIKDLATLRDPRSSFTFLNYLHQKG---------RLIHFTN------LSTFLPARLEFEDYMRWCAQQFSDVVAYGEEVVEVIPGKSDPSSSVVDFFTVRSRNVETGEISARRTRKVVIAIGGTAKMPSGLPQD-----------PRIIHSSKYCTTLPALLKDKSKPYNIAVLGSGQSAAEIFHDLQKRYPNS----RTTLIMRD---------------------SAMRPSDDSPFVNEIFNPERVDKFYSQS-----AAERQRSLLADKATNYSVVRLELIEEIYNDMYLQRVKNPD---------ETQWQHRILPERKITRVEHHGPQSRMRIHLKSSKPVK-ETLEVDALMVATGRNAHERLLSKVQHLRPTGQDQWKPHRDYRVEMDPSKVSSEAGIWLQGCNERTHGLSDSLLSVLAVRGGEMVQSIFGEQLERAA--------

4tlxA

0.14

0.11

0.74

2.10

wdPPAS

-------------PTHDVVGVGFGPANLSLAVALEES-------PAALTSAFFERRASISQGMLL----PAAKMQVSFLKDLATFRNPAS--------------------RFSFVSFLHERGRLVRFANNHDFFPTRREFHDYLEWAESKL--------AHEVSY-DSEVTAIRPGPGVDSVLVDVSTPEARTVEARNIVISTGLVP--RMPAGVQSD-----------EFVWHSSRFLDHFRDRDPRSLRRVAVAGGGQSAAEIVRFLHDNRPD----TVVHAIMPSGYVVADNTPF-------------------------------------------ANQIFDPAAVDDYFDGSKQAKDAFWRYHRNT-SVVDDEVIRDLYRRGYDDEVAGRLNFVLAHVVGAKRIAD---DTRVTVYSMAREESYDLDVDVLVCATGYD--PMDPGDLLGELAEH--CVQDAEGR--RMVTTPDLRCGIYLQGGHTHGLSSSLLSN--------LATRSGEIVSSIERRKS-------

4b63A

0.13

0.10

0.80

1.55

wMUSTER

-----RLRSTPQDELHDLLCVGFGPASLAIAIALHDALDPRLNKSAQPKICFLERQKQFASGMLV----PGSKMQISFIKDLATLRDPRS--------------------SFTFLNYLHQKGRLIHFTNLSTFLPARLEFEDYMRWCAQQF--SDVVAYGEEVVEVIPGKSDPSSSVDFFTVRSRNVETGESARRTRKVVIAIGG--TAKMPSGLPQDPRIIHSSKYC---------TTLPALLKDKSKPYNIAVLGSGQSAAEIFHDLQKRYPN----SRTTLIMRD----------------SAMRPSDDS--------------------------PFVNEIFNPERVDKFYSQSAAERQRSLLADKATYSVVRLELIEEIYNDMYLQRVKNQHRILPERKITRVEHHGPQSRMRIHLKS-SKPVKETLEVDALMVATGYNR--NAHERLLQHLRGQDQWKPHR-DYRVEMDPSKSSEAGIWLQGCNERGLSDSL--------LSVLAVRGGEMVQSIFGE-ERAA----

4b63A

0.15

0.12

0.77

2.41

wPPAS

----PRLRSTPQDELHDLLCVGFGPASLAIAIALHDALDPRLNKSAAPKICFLERQKQFASGMLV----PGSKMQISFIKDLADPRSSFTFLNYLHQKG-RLIHFTNL----------------------STFLPARLEFEDYMRWCAQQF------SDVVAY---GEEVVEVIPGKDFFTVRSRNETGEISARRTRKVVIAIGGTA--KMPSGLPQDPRIIHSSKYC---------TTLPALLKDKSKPYNIAVLGSGQSAAEIFHDLQKRYPNS----RTTLIMRDAMRPSDDS-------------------------------------------PFVNEIFNPERVDKFYSQSAAERQRSLLADKATYSVVRLELIEEIYNDMYLQRVKNQHRILPRKITRVEHHGPQSR-MRIHLKSSKPVK-ETLEVDALMVATGYNR---NAHERLLSKVQH--LRPTGQD-QWKPHRDYSSEAGIWLQGCRTHG--LSDSLL------SVLAVRGGEMVQSIFGE--RAA----

4tlxA

0.13

0.10

0.76

3.38

dPPAS2

-------------PTHDVVGVGFGPANLSLAVALEES-------PAALTSAFFERRASIS-------WHQGMLL--PAAKMQVSFLKDLATFRNP-------------ASRFSFVSFLHERGRLVRFANNHDFFPTRREFHDYLEWAESKL------AHEV---SYDSEVTAIRPGPGVDSVLVDVSTPEARTVEARNIVISTGLVPRMPAGVQSD-------------EFVWHSSRFLDHFRDRDPRSLRRVAVAGGGQSAAEIVRFLHDNRPDT----VVHAIMPS-----------YGYVVADNTPF-------------------------------ANQIFDPAAVDDYFDGSKQAKDAFWRYHRNTNYVVDDEVIRDLYRRGYDDEVAGAPRLNFVNLAHVVGAKRIADDTRVTVYSMAREESYDLDVDVLVCATGYDPMDPG--DLLGELAEHGRWQVDRDY---RMVTTPDLRCGIYLQGGTEHGLSSSLLSN--------LATRSGEIVSSIERRKS-------

4b63A

0.13

0.10

0.82

2.30

PPAS

----PRLRSTPQDELHDLLCVGFGPASLAIAIALHDALDPRLNKSAAPKICFLERQKQFA--WHSGMLVPGSKMQISFIKDLATLRDPRS--------------------SFTFLNYLHQKGRLIHFTNLSTFLPARLEFEDYMRWCAQQF--SDVVAYGEEVVEVIPGKSDSSVVDFFTVRSRNVETGEISARRTRKVVIAIGG--TAKMPSGLPQDPRIIHSSKYCT---------TLPALLKDKSKPYNIAVLGSGQSAAEIFHDLQKRYPNS----RTTLIMRDAMRPSDDS---------------------------PFVNEIFNPERVDKFYSQSAAERQRSLLADKATNYSVVRLELIEEIYNDMYLQRVKNPD---------ETQWQHRILPERKITRVEHHGPQSRMRIHLKSSKPVK-ETLEVDALMVATGYNRNAHERLLSKVQHLRQDQWKPHR-DYRVEMDPSKSSEAGIWLQGCNERTHGLSDSLLS------VLAVRGGEMVQSIFGE-AA------

4tlxA

0.13

0.10

0.76

2.54

Env-PPAS

-------------PTHDVVGVGFGPANLSLAVALEES-------PAALTSAFFERRASISQGMLLPAAKMQVSFLKDLAT-FRNPASRFSFVSFLHERGRLVRFANNH-----------------------DFFPTRREFHDYLEWAESKL------AHEVSY---DSEVTAIRPGPGVDSVLVDVSTPEARTVEARNIVISTGL--VPRMPAGVQSDEFVWHSSRF-----------LDHFRDRDPRSLRRVAVAGGGQSAAEIVRFLHDNRPDT----VVHAIMPSGYVVADNTPF-------------------------------------------ANQIFDPAAVDDYFDGSKQAKDAFWRYHRNTYSVVDDEVIRDLYRRGYDDEVAGAPRLNFVNLAHVVGAKRIADDTRVTVYSMAREESYDLDVDVLVCATGYDPMDP--GDLLGELAEHCVQDAEGRWQVDRMVTTPDLRCGIYLQGGTEHTHGLSSSLLS------NLATRSGEIVSSIERRKS-------

4tlxA

0.14

0.11

0.76

1.31

MUSTER

-------------PTHDVVGVGFGPANLSLAVALEES-------PAALTSAFFERRASIS--WHQGMLLPAAKMQVSFLKDLATFRNPAS--------------------RFSFVSFLHERGRLVRFANNHDFFPTRREFHDYLEWAESKL--AHEVSYDSEVTAIRPG-----PGRPVDSVLVDVSTPEARTVEARNIVISTGL--VPRMPAGVQSDEFVW-----------HSSRFLDHFRDRDPRSLRRVAVAGGGQSAAEIVRFLHDNRPD----TVVHAIMPS-----------YGYVVADNTPF-------------------------------ANQIFDPAAVDDYFDGSKQAKDAFWRYHRNTNYVVDDEVIRDLYRRGYDDEVAGAPRLNFVNLAHVVGAKRIADDTRVTVYSMAREESYDLDVDVLVCATGYDPMDPG--DLLGELAEHGRWQVDRDY---RMVTTPDLRCGIYLQGGTEHGLSSSLLSN--------LATRSGEIVSSIERRKS-------

3s5wA

0.11

0.08

0.76

1.51

dPPAS

-------------VVHDLIGVGFGPSNIALAIALQERAQAQGALE----VLFLDKQGDYRW----------------------HGNTLVSQSELQISFLKDLVSLRNPTSPYSFVNYLHKHDRLVDFINLGTFYPCRMEFNDYLRWVASHF------QEQSRYGEEVLRIEPMLSAGQVEALRVISRNADGLVRTTRALVVSPGGTPRIPQVFRALKGDGRVFH---------------HSQYLEHMAKPMKIAIIGGGQSAAEAFIDLND----SYPSVQADMILRASALKPADDS------------------------------------------PFVNEVFAPKFTDLIYSREHAERERLLREYHNTNYVVDTDLIERIYGVFYRQKVSGIPRHAFRCMTTVERATATAQGIELALRDAGSGELSVETYDAVILATGYE---RQLRQLLEPLAEY-LGEIGRDY---RLQTDERCKVAIYAQGFSQASHGLSDTLLS------VLPVRAEEISGSLYQHLK-------

(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 3 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=-0.82

Estimated TM-score = 0.61±0.14

Estimated RMSD = 9.3±4.6Å

Download Model 2

C-score=-0.73

Download Model 3

C-score=-1.06

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	4b63A	0.803	1.59	0.115	0.831
2	3s5wA	0.729	1.91	0.120	0.764
3	4tlxA	0.722	2.19	0.122	0.769
4	5cqfA	0.690	3.02	0.125	0.767
5	4d7eA	0.579	4.05	0.074	0.690
6	3uovA	0.567	3.92	0.087	0.664
7	1w4xA	0.566	3.91	0.092	0.664
8	3gwdA	0.565	3.67	0.088	0.653
9	5j7xA	0.564	3.90	0.092	0.662
10	4aosA	0.559	3.82	0.100	0.655

(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	0.28	19	3s5wA	FAD	Rep, Mult	21,22,24,25,26,53,54,55,56,59,61,69,79,80,81,161,162,163,202,203,204,443,445,499,500,501
2	0.14	10	4tm0A	NAP	Rep, Mult	78,137,212,257,258,259,260,261,264,288,357,359,404,405,440,441,442
3	0.12	8	3s61A	NDP	Rep, Mult	77,78,80,137,212,257,258,259,260,261,264,287,357,358,359,440,441,442
4	0.02	2	4b68A	ARG	Rep, Mult	65,80,89,321,324,356,357,500,502
5	0.02	2	4b67A	NAP	Rep, Mult	69,70,72,137,229,257,258,259,260,261,264,287,376,377,378,440,441,442,443,500
6	0.01	1	3gwdA	NAP	Rep, Mult	55,162,205,207,225,449
7	0.01	1	4b67A	ORN	Rep, Mult	229,230,231,405

	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	0.066	3fg2P	0.480	4.03	0.143	0.563	1.18.1.3	24,222
2	0.066	2v3aA	0.471	4.00	0.126	0.559	1.18.1.1	225
3	0.060	3ictA	0.476	4.06	0.137	0.561	1.8.1.14	NA
4	0.060	1feaA	0.478	4.41	0.089	0.574	1.8.1.12	444
5	0.060	2wbaA	0.481	4.24	0.106	0.570	1.8.1.12	444
6	0.060	1bzlA	0.480	4.17	0.109	0.567	1.8.1.12	NA
7	0.060	3l8kA	0.473	4.26	0.094	0.570	1.8.1.4	24,26,72,202,204
8	0.060	1f6mA	0.511	3.14	0.121	0.572	1.8.1.9	NA
9	0.060	1yqzA	0.479	3.96	0.122	0.565	1.8.1.14	262,264
10	0.060	1dxlC	0.483	4.04	0.101	0.567	1.8.1.4	22,202,204
11	0.060	1mo9A	0.474	4.58	0.113	0.570	1.8.1.5	NA
12	0.060	2eq6A	0.472	4.26	0.121	0.563	1.8.1.4	255
13	0.060	3dk9A	0.475	4.41	0.094	0.569	1.8.1.7	22,24,54,202,204,225,488
14	0.060	3ef6A	0.484	3.76	0.140	0.559	1.18.1.3	257
15	0.060	2hqmB	0.470	4.34	0.084	0.559	1.8.1.7	24,72,204,225
16	0.060	3ladB	0.473	4.11	0.134	0.561	1.8.1.4	22,54,202,204,207
17	0.060	1f8wA	0.483	4.20	0.122	0.572	1.11.1.1	NA
18	0.060	1grtA	0.473	4.53	0.099	0.574	1.8.1.7	264
19	0.060	1dxlA	0.480	4.08	0.101	0.565	1.8.1.4	NA
20	0.060	1xdiA	0.474	4.31	0.120	0.569	1.6.5.2	26
21	0.060	1zdlA	0.484	4.05	0.125	0.572	1.8.1.9	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	0.29	0.696	3.02	0.12	0.77	5cqfA	GO:0004497 GO:0016491 GO:0055114
1	0.29	0.805	1.59	0.12	0.83	4b65A	GO:0000166 GO:0004497 GO:0004499 GO:0005506 GO:0005634 GO:0005737 GO:0005829 GO:0006696 GO:0006879 GO:0009405 GO:0010106 GO:0016491 GO:0019290 GO:0031169 GO:0033212 GO:0044550 GO:0050662 GO:0055114 GO:0070401
2	0.26	0.732	2.05	0.12	0.77	3s5wB	GO:0002049 GO:0004497 GO:0005886 GO:0016020 GO:0016491 GO:0055114
3	0.20	0.722	2.19	0.12	0.77	4tlxA	GO:0000166 GO:0004497 GO:0016491 GO:0055114
4	0.20	0.557	3.91	0.08	0.66	4d7eC	GO:0000166 GO:0016491 GO:0055114
5	0.17	0.536	3.71	0.14	0.62	4usqF	GO:0000166 GO:0016491 GO:0055114
6	0.17	0.526	3.64	0.12	0.61	4c5oD	GO:0000166 GO:0004497 GO:0016491 GO:0055114
7	0.14	0.397	4.67	0.11	0.49	3ishA	GO:0004791 GO:0005737 GO:0016491 GO:0019430 GO:0055114
8	0.12	0.579	4.05	0.07	0.69	4d7eA	GO:0000166 GO:0016491 GO:0055114
9	0.07	0.477	4.12	0.12	0.56	3urhB	GO:0000166 GO:0004148 GO:0005623 GO:0006096 GO:0016021 GO:0016491 GO:0016668 GO:0045454 GO:0050660 GO:0055114
10	0.07	0.452	4.77	0.09	0.57	3ab1B	GO:0004324 GO:0016491 GO:0050660 GO:0050661 GO:0055114
11	0.06	0.414	5.64	0.10	0.54	1hyuA	GO:0000302 GO:0005623 GO:0008785 GO:0009055 GO:0015035 GO:0016491 GO:0016651 GO:0045454 GO:0050660 GO:0051287 GO:0055114
12	0.06	0.322	7.48	0.03	0.52	3kx2A	GO:0000166 GO:0000390 GO:0000462 GO:0000463 GO:0000466 GO:0003676 GO:0004004 GO:0004386 GO:0005524 GO:0005634 GO:0006364 GO:0006397 GO:0008026 GO:0008380 GO:0016787 GO:0030490 GO:0042273 GO:0071014
13	0.06	0.249	7.76	0.03	0.41	3u4jA	GO:0008152 GO:0016491 GO:0016620 GO:0055114
14	0.06	0.248	7.56	0.07	0.41	4zfvA	GO:0005524 GO:0006040 GO:0009254 GO:0016301 GO:0016310 GO:0016740 GO:0016773
15	0.06	0.258	7.28	0.07	0.41	4hea1	GO:0005886 GO:0008137 GO:0010181 GO:0016020 GO:0016491 GO:0016651 GO:0046872 GO:0048038 GO:0051287 GO:0051536 GO:0051539 GO:0055114
16	0.06	0.212	5.68	0.06	0.29	1b73A	GO:0006807 GO:0008152 GO:0008360 GO:0008881 GO:0009252 GO:0016853 GO:0016855 GO:0036361 GO:0071555
17	0.06	0.230	5.93	0.07	0.32	1ujmA	GO:0003824 GO:0008106 GO:0016491 GO:0050662 GO:0055114
18	0.06	0.198	6.12	0.04	0.28	4v1cG	GO:0003950 GO:0005737 GO:0005739 GO:0005743 GO:0005759 GO:0006471 GO:0006476 GO:0007005 GO:0008270 GO:0009060 GO:0016020 GO:0016787 GO:0032041 GO:0034983 GO:0046872 GO:0070403 GO:0070932 GO:2000757

Consensus prediction of GO terms

Molecular Function	GO:0050661	GO:0016709	GO:0046914
GO-Score	0.58	0.58	0.58
Biological Processes	GO:0055114	GO:0009267	GO:0016129	GO:1902653	GO:0016126	GO:0051704	GO:0019539	GO:0055072	GO:0044108	GO:0008204	GO:0031168	GO:0097384	GO:0046916	GO:0002048
GO-Score	0.76	0.58	0.58	0.58	0.58	0.58	0.58	0.58	0.58	0.58	0.58	0.58	0.58	0.52
Cellular Component	GO:0044444	GO:0043231	GO:0071944	GO:0016020
GO-Score	0.58	0.58	0.52	0.39

(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.