I-TASSER results

I-TASSER results for job id Rv2000

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

Input Sequence in FASTA format

>protein (537 residues)
MRPGFVGLGFGQWPVYVVRWPKLHLTPRQRKRVLHRRRLLTDRPISLSQIPIRTGGPMND
PWPRPTQGPAKTIETDYLVIGAGAMGMAFTDTLITESGARVVMIDRACQPGGHWTTAYPF
VRLHQPSAYYGVNSRALGNNTIDLVGWNQGLNELAPVGEICAYFDAVLQQQLLPTGRVDY
FPMSEYLGDGRFRTLAGTEYVVTVNRRIVDATYLRAVVPSMRPAPYSVAPGVDCVAPNEL
PKLGTRDRYVVVGAGKTGMDVCLWLLRNDVCPDKLTWIMPRDSWLIDRATLQPGPTFVRQ
FRESYGATLEAIGAATSTDDLFDRLETAGTLLRIDPSVRPSMYRCATVSHLELEQLRRIR
DIVRMGHVQRIEPTTIVLDGGSVPATPTALYIDCTADGAPQRPAKPVFDADHLTLQAVRG
CQQVFSAAFIAHVEFAYEDDAVKNELCTPIPHPDCDLDWMRLMHSDLGNFQRWLNDPDLT
DWLSSARLNLLADLLPPLSHKPRVRERVVSMFQKRLGTAGDQLAKLLDAATATTEQR

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MRPGFVGLGFGQWPVYVVRWPKLHLTPRQRKRVLHRRRLLTDRPISLSQIPIRTGGPMNDPWPRPTQGPAKTIETDYLVIGAGAMGMAFTDTLITESGARVVMIDRACQPGGHWTTAYPFVRLHQPSAYYGVNSRALGNNTIDLVGWNQGLNELAPVGEICAYFDAVLQQQLLPTGRVDYFPMSEYLGDGRFRTLAGTEYVVTVNRRIVDATYLRAVVPSMRPAPYSVAPGVDCVAPNELPKLGTRDRYVVVGAGKTGMDVCLWLLRNDVCPDKLTWIMPRDSWLIDRATLQPGPTFVRQFRESYGATLEAIGAATSTDDLFDRLETAGTLLRIDPSVRPSMYRCATVSHLELEQLRRIRDIVRMGHVQRIEPTTIVLDGGSVPATPTALYIDCTADGAPQRPAKPVFDADHLTLQAVRGCQQVFSAAFIAHVEFAYEDDAVKNELCTPIPHPDCDLDWMRLMHSDLGNFQRWLNDPDLTDWLSSARLNLLADLLPPLSHKPRVRERVVSMFQKRLGTAGDQLAKLLDAATATTEQR
Prediction	CCCCCCCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCHHHHHHHHHHHHHCCCCEEEEHCCCCCCCCCCCCCCEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCCEEEEEEHCCCEEEEEEEEEHCCCEEEEEEEEEEEHCCCCCCCCCCCCCCCCCCCCCEEEHCCCCCCCCCCCCEEEEHCCCHHHHHHHHHHHHHCCCCCCCEEEHCCCCCHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHCCEEHCCCCCCCCCCCCCCCCHHHHHHHHHCCCEEEHCCEEEEHCCEEEHCCCEEEHCCCEEEHCCCCCCCCCCCCCCCCCCCEEEEEEHCCCCCHHHHHHHHHHHHCCCCHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCC
Conf.Score	998766778777764566645544467765554444444556765445578888898877777777888865556689988988899999999997699799996899999765677995788588766778886689886556787666555687899999999999987577658999864544555899998588699998558999578777889999987777777798577656555789869998798699999999999898766656775688754455445778799999999999999887655557899999987574665689989644455667889999997577578767788996996998795898579889995778777778885555699788876556654467888887754578877865457888899998658999999988889886586899999985556555556778888579999999999999999999999999998756789
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MRPGFVGLGFGQWPVYVVRWPKLHLTPRQRKRVLHRRRLLTDRPISLSQIPIRTGGPMNDPWPRPTQGPAKTIETDYLVIGAGAMGMAFTDTLITESGARVVMIDRACQPGGHWTTAYPFVRLHQPSAYYGVNSRALGNNTIDLVGWNQGLNELAPVGEICAYFDAVLQQQLLPTGRVDYFPMSEYLGDGRFRTLAGTEYVVTVNRRIVDATYLRAVVPSMRPAPYSVAPGVDCVAPNELPKLGTRDRYVVVGAGKTGMDVCLWLLRNDVCPDKLTWIMPRDSWLIDRATLQPGPTFVRQFRESYGATLEAIGAATSTDDLFDRLETAGTLLRIDPSVRPSMYRCATVSHLELEQLRRIRDIVRMGHVQRIEPTTIVLDGGSVPATPTALYIDCTADGAPQRPAKPVFDADHLTLQAVRGCQQVFSAAFIAHVEFAYEDDAVKNELCTPIPHPDCDLDWMRLMHSDLGNFQRWLNDPDLTDWLSSARLNLLADLLPPLSHKPRVRERVVSMFQKRLGTAGDQLAKLLDAATATTEQR
Prediction	733212310113010101301324325344433334341334321214536165441465523444635643230100000000000000020054371300000234510210241010000121220110002203542153231442232114252014003400543114313022132032313020102334423131021000001121311314316134144031031420241455310000001000000001005341424301001232111022420322340033014212310310240322540042045322102034612010010000234004203404410220204303563030233514243200000000412532402200445200000110010000000000000116466313410412212533110010002112223303534403400440202113401452465443244025304631440152034004315444668
	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

CCCCCCCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCHHHHHHHHHHHHHCCCCEEEEHCCCCCCCCCCCCCCEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHCCCCEEEEEEHCCCEEEEEEEEEHCCCEEEEEEEEEEEHCCCCCCCCCCCCCCCCCCCCCEEEHCCCCCCCCCCCCEEEEHCCCHHHHHHHHHHHHHCCCCCCCEEEHCCCCCHCCCCCCCCCHHHHHHHHHHHHHHHHHHHHCCCHHHHHHHHHHHCCEEHCCCCCCCCCCCCCCCCHHHHHHHHHCCCEEEHCCEEEEHCCEEEHCCCEEEHCCCEEEHCCCCCCCCCCCCCCCCCCCEEEEEEHCCCCCHHHHHHHHHHHHCCCCHHHHHHCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCC
MRPGFVGLGFGQWPVYVVRWPKLHLTPRQRKRVLHRRRLLTDRPISLSQIPIRTGGPMNDPWPRPTQGPAKTIETDYLVIGAGAMGMAFTDTLITESGARVVMIDRACQPGGHWTTAYPFVRLHQPSAYYGVNSRALGNNTIDLVGWNQGLNELAPVGEICAYFDAVLQQQLLPTGRVDYFPMSEYLGDGRFRTLAGTEYVVTVNRRIVDATYLRAVVPSMRPAPYSVAPGVDCVAPNELPKLGTRDRYVVVGAGKTGMDVCLWLLRNDVCPDKLTWIMPRDSWLIDRATLQPGPTFVRQFRESYGATLEAIGAATSTDDLFDRLETAGTLLRIDPSVRPSMYRCATVSHLELEQLRRIRDIVRMGHVQRIEPTTIVLDGGSVPATPTALYIDCTADGAPQRPAKPVFDADHLTLQAVRGCQQVFSAAFIAHVEFAYEDDAVKNELCTPIPHPDCDLDWMRLMHSDLGNFQRWLNDPDLTDWLSSARLNLLADLLPPLSHKPRVRERVVSMFQKRLGTAGDQLAKLLDAATATTEQR

5j7xA

0.15

0.13

0.83

1.62

MUSTER

----------------------------------------------------------------------GVLHLDALIIGSGFSGIYLLHKLRDELKLKVKIFEAESDIGGTWNNRYPGARVDCPVPFYAYSLPEVW----QSWNWTE---LYPNQKEIKSYFDHVDRVLDVRHSRVNEGTFDEATGRWTVWTTDGK---VATAKYLLVAVGFKSYLPDWKGLDSFKGTIYHSAHWPEAEEISVGKKVAVIGTGSTGIQIFQEWAREALFQRTPNLCLPMRQQELHKNTFDASEEEREAFWEDLYQMFRFWQNNYQARKTRARIQDPKLLAPLEPPY-PFGTKRPSLEQDFYEQFNKSNVHIVDQPIVGVTPTGIVTADEKVHEVD-IIAVATGFDATGGLLRLGLKDVNGVGLDWKDGMSTYLGMAISGFPNMFLPY--APTAFANGPTLIELQGDWITSLIRKMEMENV--TPHAESAWNDEVNMIANKTLLPNIPGKPVQSLNYLGGLPTYRERCAKVLDE-FFGFAKAHH--

5j7xA

0.14

0.12

0.81

2.06

dPPAS

----------------------------------------------------------------------GVLHLDALIIGSGFSGIYLLHKLRDELKLKVKIFEAESDIGGTWNNRYPGARVDCPVPFYAYSLPEVWQSW-------NWTELYPNQKEIKSYFDHVDRVLDLFHSRVNEGTFDEATGRWTVWTTDGK---VATAKYLLVAVGFKSYLPDWKGLDSFKGTIYHSAHWPEAEEIVKGKKVAVIGTGSTGIQIFQEWAREALFQRTPNLCLPMRQQELHKNTFDASEEEREAFWEDLYQMGGFRFWQNNANREAYNFWARKTRARIQDPPYPFGTKRPSLEQDFYEQFNKSNVHIVDQPIVGVTPTGIVTADEKVHE-VDIIAVATGFDAVTGLLRLGLKDVNGVGLDERWKDGMPTLIELQGDWITSLIRKMEMENVQSVTATPHAESAWNDEVNMIANKTLLPLT----DSWYMGSNIPGKPVQSLNYLGG------------------LPTYRERCAKVLDEDFFG

4aosA

0.16

0.13

0.82

3.28

wdPPAS

------------------------------------------------------------------------TSYDVVVVGAGIAGLYAIHRFRSQ-GLTVRAFEAASGVGGVWYNRYPGARCDVESIDYSYSFSPELNWS----------EKYATQPEILAYLEHVADRF-RFDTRVTSAVLDEEGLRWTVRTDRGD---EVSARFLVVAAGPNANTPAFDGLDRFTGDIVHTARWPHDGVDFTGKRVGVIGTGSSGIQSIPIIAEQAVFQRSANYSIPAGNVPLDKSALEVSEEERRAVYEERWKLGGVLFSKAFEEKIRAVVDDPAVAELLTPKDHAIGAKRIVTDSGYYETYNRDNVELVDTPIVGMDETGIVT-TGA-HYDLDMIVLATGFDAMTSLDKLEIVGRGGRTLKETWGPRTYLGLGIDGFPNFFLTGPGSPSVLANMVLHSELHVDWVADAIAYLDARGAAGIEEAVADWVEECRNRAEASLLNSANS-------YLGRVFMPFLGGFGVYREIITEVAESGYKG

5j7xA

0.16

0.13

0.83

2.42

wMUSTER

-----------------------------------------------------------------------VLHLDALIIGSGFSGIYLLHKLRDELKLKVKIFEAESDIGGTWNNRYPGARVDCPVPFYAYSLPEV----WQSWNWTE---LYPNQKEIKSYFDHVDRVLDVFHSRVNEGTFDEATGRWTVWTTDGK---VATAKYLLVAVGFKSYLPDWKGLDSFKGTIYHSAHWPEAEEIVKGKKVAVIGTGSTGIQIFQEWAREALFQRTPNLCLPMRQQELHKNTFDASEEEREAFWEDLYQMFRFWQNNYQARKTRARIQDPKLLAPLEPPY-PFGTKRPSLEQDFYEQFNKSNVHIVDQPIVGVTPTGIVTADEKVHE-VDIIAVATGFDATGGLLRLGLKDVNGVGLDERWGMSTYLGMAISGFPNFLPYSLQAPTAFANGPTLIELQGDWITSLIRKMEMENVQSVTHAESAWNDEVNMIANKTLLPNIPGKPVQSLNYLGG--------LPTYRERCAKVLDED--F

5j7xA

0.17

0.13

0.80

3.21

wPPAS

----------------------------------------------------------------------GVLHLDALIIGSGFSGIYLLHKLRDELKLKVKIFEAESDIGGTWNNRYPGARVDCPVPFYAYSLPESWNWT----------ELYPNQKEIKSYFDHVDRVL-LFHSRVNEGTFDEATGRWTVWTTDGK---VATAKYLLVAVGFKSYLPDWKGLDSFKGTIYHSAHWPEAEEIVKGKKVAVIGTGSTGIQIFQEWARAFLFQRTPNLCLPMRQQELHKNTFDASEEEREAFWEDLYQMFRFWQNNYQARKTRARIQDPKLLAPLEPPY-PFGTKRPSLEQDFYEQFNKSNVHIVDQPIVGVTPTGIVTADEK-VHEVDIIAVATGFDAVTGLLRLGLKDVNGVGLDERWGMSTYLGMAISGFPNMFL----APTAFANGPTLIELQGDWITSLIRKMEME----TPHAESAWNDEVNMIANKTLLPNIPGKPVQSL--LPTYRERCAKVLDEKAHH-----------

5j7xA

0.15

0.12

0.80

3.66

dPPAS2

----------------------------------------------------------------------GVLHLDALIIGSGFSGIYLLHKLRDELKLKVKIFEAESDIGGTWNNRYPGARVDCPVPFYAYSLPESWNWT----------ELYPNQKEIKSYFDHVDRVLDLFHSRVNEGTFDEATGRWTVWTTDGK---VATAKYLLVAVGFKSYLPDWKGLDSFKGTIYHSAHWPEAEEIVKGKKVAVIGTGSTGIQIFQEWAREALFQRTPNLCLPMRQQELHKNTFDASEEEREAFWEDLYQMGGFRFWQNNANREAYNFWARKTRARIQDPPYPFGTKRPSLEQDFYEQFNKSNVHIVDQPIVGVTPTGIVTADEK-VHEVDIIAVATGFDAVTGLLRLGLKDVNGVGLDERWKDAPTAFANGPTLIELQGDRKMEMENVQSVTATPHAESAWNDEVNMIANKTL-LPLT---DSWYMGSNIPGKPVQSLNYLGG------------------LPTYRERCAKVLDEDFFG

5j7xA

0.15

0.12

0.80

2.57

PPAS

----------------------------------------------------------------------GVLHLDALIIGSGFSGIYLLHKLRDELKLKVKIFEAESDIGGTWNNRYPGARVDCPVPFYAYSLPESWNWT----------ELYPNQKEIKSYFDHVDRVL-LFHSRVNEGTFDEATGRWTVWTTDGK---VATAKYLLVAVGFKSYLPDWKGLDSFKGTIYHSAHWPEAEEIVKGKKVAVIGTGSTGIQIFQEWAREALFQRTPNLCLPMRQQELHKNTFDASEEEREAFWEDLYQMGGFRFWQNNANREAYNFWARKTRARIQAPLEPPGTKRPSLEQDFYEQFNKSNVHIVDQPIVGVTPTGIVTADEK-VHEVDIIAVATGFDATGGLLRLGLKDVNGVGLDERWKDAPTAFANGPTLIELQGDRKMEMENVQSVTATPHAESAWNDEVNMIANKTL-LPL----DSWYMGSNIPGKPVQSLNYLGG------------------LPTYRERCAKVLDEDFFG

4usrA

0.17

0.11

0.65

3.51

Env-PPAS

-------------------------------------------------------------------GPAMPPILDVIVIGGGQAALTTAYFLRRT-SLSYLLLDEQPGPGGAWLHAWDSLRLFSPAAWSSIAGWPMPSPTEPG---------NPTRNDVIDYLRRYEDRYIQRPVRVDTVTRLD--DLWRVQAGD----QQWLARAVISATGTKPFIPPYEGRELFQGAQIHSAHYRTPAPF-AGKRVMVVGGGNSGAQVLAELSSVS----ETLWITQEPPAFLPDEVD------GRVLFERATARWKAQQEGRSI-------------------DEPAGGFGDIVMVPPVREARERGVLVAERPFARFTETGVEWADG-RRENLDAVIWCSGFRALDHLRELGVVEADVQVEDTRVVKQPNL--WLVGYGDWTG---------------------MASATLIGVTRTARSTA-DQVVQALT--ATP------------------------------------------------

1w4xA

0.17

0.14

0.84

1.62

MUSTER

-------------------------------------------------------------------RRQPPEEVDVLVVGAGFSGLYALYRLREL-GRSVHVIETAGDVGGVWYNRYPGARCDIESIEYCYSFSE---EVLQEWNWTE---RYASQPEILRYINFVADKFDLR----SGITFHTTVTAAAFDEATNTWTVDTNHGDRIRARYLIMASGQLSVPQLPNFPGLKDFAGNLYHTGNWGQRVGVIGTGSSGIQVSPQIAKQAVFQRTPHFAVPARNYQGPKSALEVSDEELVETLERYWQEPDILAAYRDRNKIRNTVRDPEVAERLVPKGYPFGTKRLILEIDYYEMFNRDNVHLVDAPIETITPRGVRTSEREYEL--DSLVLATGFDLTGALFKIDIRGVGNVALKWAAGPRTYLGLSTAGFPNFFIAGPGSPSALSNMLVSIEQHVEWVTDHIAYMFKNGL--VLEKEDEWVEHVNEIADETLYPNVPGKPRVFMLYVGGFHRYRQICDEVAAKGYEGFVLT----

3gwdA

0.17

0.14

0.80

2.04

dPPAS

----------------------------------------------------------------------TTHTVDAVVIGAGFGGIYAVHKLHHELGLTTVGFDKADGPGGTWYNRYPGALSDTESHLYRFSFDRDLLQESTWK------TTYITQPEILEYLEDVVDRFDLFGTEVTSALYLDDENLWEVTTDHGE---VYRAKYVVNAVGLAINFPNLPGLDTFEGETIHTAAWPEGKSLAG-RRVGVIGTGSTGQQVITSLAP---EVEHLTVFVRTPQYSVPVGNRPVNPEQIAEIKADYDRIWERAKNSAVRNRIFQEAWDHGGMFGTFGDIKGLFAKRPLCDSGYYEVYNRPNVEAVANPIREVTAKGVVTEDGVLHE-LDVLVFATGFDAVDNYRRIEIRGRDGLHINDHWDGQPPPSIETQVEWISDTIGYAERNGVRAIEPTPEAEAEWTETCTEIANATLFTKGD----SWIFGANIPGKKPSVLFYLGGLRNYRAVMAEVAADVKSA------------------

(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=-2.46

Estimated TM-score = 0.43±0.14

Estimated RMSD = 13.5±4.0Å

Download Model 2

C-score=-2.96

Download Model 3

C-score=-3.37

Download Model 4

C-score=-3.33

Download Model 5

C-score=-3.17

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	5j7xA	0.776	2.60	0.138	0.832
2	1w4xA	0.771	2.80	0.143	0.840
3	4aosA	0.770	2.62	0.157	0.829
4	3uovA	0.754	2.91	0.141	0.825
5	3gwdA	0.746	3.16	0.145	0.832
6	4b63A	0.543	4.03	0.104	0.646
7	2vq7C	0.534	4.12	0.107	0.637
8	4tlxA	0.532	4.00	0.075	0.631
9	1vqwA	0.532	3.98	0.135	0.635
10	3s5wA	0.526	3.88	0.102	0.620

(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	0.44	34	5j7xA	FAD	Rep, Mult	80,81,83,84,85,104,105,106,112,113,115,118,122,123,124,125,130,176,177,178,211,212,213,345,396,405,448,449
2	0.06	5	2ylwA	NAP	Rep, Mult	118,122,124,219,252,253,254,255,256,257,260,274,276,344,345,393,394,395,396
3	0.04	3	2xluA	NA7	Rep, Mult	217,219,252,254,255,256,257,393,394,395

	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	2zzbC	0.454	4.63	0.083	0.555	1.8.1.9	NA
2	0.060	2npxA	0.461	4.55	0.066	0.564	1.11.1.1	253
3	0.060	1w4xA	0.771	2.80	0.143	0.840	1.14.13.92	NA
4	0.060	3dk9A	0.454	5.20	0.104	0.577	1.8.1.7	81,83,112,211,400,449
5	0.060	2yquA	0.446	5.09	0.098	0.564	1.8.1.4	NA
6	0.060	3ladB	0.452	4.91	0.092	0.564	1.8.1.4	81,211
7	0.060	1jehA	0.451	5.11	0.078	0.570	1.8.1.4	NA
8	0.060	2jk6A	0.457	4.79	0.071	0.562	1.8.1.12	NA
9	0.060	1f6mA	0.469	3.83	0.108	0.549	1.8.1.9	NA
10	0.060	2qaeA	0.448	4.96	0.076	0.562	1.8.1.4	NA
11	0.060	1zk7A	0.451	4.96	0.089	0.566	1.16.1.1	305,310
12	0.060	1f8wA	0.460	4.61	0.063	0.566	1.11.1.1	NA
13	0.060	1fl2A	0.400	4.72	0.087	0.501	1.8.1.-	NA
14	0.060	1lpfA	0.451	4.88	0.086	0.562	1.8.1.4	500,506
15	0.060	1mo9A	0.453	5.15	0.093	0.577	1.8.1.5	NA
16	0.060	3l8kA	0.448	5.13	0.074	0.568	1.8.1.4	83
17	0.060	1bzlA	0.457	4.77	0.082	0.562	1.8.1.12	NA
18	0.060	1grtA	0.454	5.21	0.099	0.575	1.8.1.7	NA
19	0.060	2hqmB	0.451	5.08	0.099	0.566	1.8.1.7	83,398

(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	0.26	0.771	2.80	0.14	0.84	1w4xA	GO:0004497 GO:0016491 GO:0033776 GO:0055114
1	0.26	0.746	3.16	0.14	0.83	3gwdA	GO:0000166 GO:0004497 GO:0004499 GO:0016491 GO:0050660 GO:0050661 GO:0055114
2	0.25	0.770	2.62	0.16	0.83	4aosA	GO:0000166 GO:0004497 GO:0004499 GO:0016491 GO:0050660 GO:0050661 GO:0055114
3	0.24	0.757	2.98	0.14	0.83	3uozA	GO:0004497 GO:0004499 GO:0016491 GO:0019383 GO:0050660 GO:0050661 GO:0055114
4	0.14	0.503	4.26	0.14	0.61	4usrA	GO:0000166 GO:0004497 GO:0016491 GO:0055114
5	0.14	0.498	3.89	0.14	0.59	4c5oD	GO:0000166 GO:0004497 GO:0016491 GO:0055114
6	0.12	0.495	3.99	0.12	0.59	4usqF	GO:0000166 GO:0016491 GO:0055114
7	0.09	0.448	5.13	0.07	0.57	3l8kA	GO:0000166 GO:0004148 GO:0005623 GO:0016491 GO:0016668 GO:0045454 GO:0050660 GO:0055114
8	0.07	0.472	3.67	0.10	0.55	3r9uA	GO:0000166 GO:0004791 GO:0005737 GO:0016491 GO:0019430 GO:0055114
9	0.07	0.536	4.10	0.13	0.64	2gv8A	GO:0004497 GO:0004499 GO:0005739 GO:0005789 GO:0006457 GO:0016491 GO:0050660 GO:0050661 GO:0055114
10	0.07	0.534	4.17	0.11	0.64	2xlrC	GO:0000166 GO:0004497 GO:0004499 GO:0016491 GO:0050660 GO:0050661 GO:0055114
11	0.07	0.461	5.67	0.09	0.61	1hyuA	GO:0000302 GO:0005623 GO:0008785 GO:0009055 GO:0015035 GO:0016491 GO:0016651 GO:0045454 GO:0050660 GO:0051287 GO:0055114
12	0.07	0.446	5.09	0.10	0.56	2yquA	GO:0000166 GO:0004148 GO:0005623 GO:0006096 GO:0016491 GO:0016668 GO:0045454 GO:0050660 GO:0055114
13	0.06	0.451	4.92	0.12	0.56	2r9zB	GO:0000166 GO:0004362 GO:0005623 GO:0006749 GO:0016491 GO:0016668 GO:0045454 GO:0046872 GO:0050660 GO:0050661 GO:0055114 GO:0098869
14	0.06	0.451	4.88	0.09	0.56	1lpfA	GO:0004148 GO:0005737 GO:0006096 GO:0016491 GO:0016668 GO:0045454 GO:0050660 GO:0055114
15	0.06	0.407	5.79	0.05	0.54	2gmhA	GO:0004174 GO:0005739 GO:0005743 GO:0006979 GO:0009055 GO:0016020 GO:0016491 GO:0022900 GO:0043783 GO:0046872 GO:0048039 GO:0050660 GO:0051536 GO:0051539 GO:0055114
16	0.06	0.397	5.82	0.07	0.53	1qo8A	GO:0000104 GO:0016491 GO:0042597 GO:0046872 GO:0055114
17	0.06	0.384	5.27	0.11	0.51	3ab1B	GO:0004324 GO:0016491 GO:0050660 GO:0050661 GO:0055114
18	0.06	0.387	5.74	0.07	0.52	3nixA	GO:0000166 GO:0016491 GO:0055114 GO:0071949
19	0.06	0.376	5.94	0.07	0.51	3kpfA	GO:0016491 GO:0052893 GO:0052896 GO:0052897 GO:0052898 GO:0052900 GO:0055114

Consensus prediction of GO terms

Molecular Function	GO:0050660	GO:0050661	GO:0004499
GO-Score	0.58	0.58	0.58
Biological Processes	GO:0055114	GO:0018882	GO:0042182	GO:0016100
GO-Score	0.73	0.48	0.48	0.48
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.