I-TASSER results

I-TASSER results for job id Rv3031

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

Input Sequence in FASTA format

>protein (526 residues)
MNTSASPVPGLFTLVLHTHLPWLAHHGRWPVGEEWLYQSWAAAYLPLLQVLAALADENRH
RLITLGMTPVVNAQLDDPYCLNGVHHWLANWQLRAEEAASVRYARQSKSADYPSCTPEAL
RAFGIRECADAARALDNFATRWRHGGSPLLRGLIDAGTVELLGGPLAHPFQPLLAPRLRE
FALREGLADAQLRLAHRPKGIWAPECAYAPGMEVDYATAGVSHFMVDGPSLHGDTALGRP
VGKTDVVAFGRDLQVSYRVWSPKSGYPGHAAYRDFHTYDHLTGLKPARVTGRNVPSEQKA
PYDPERADRAVDVHVADFVDVVRNRLLSESERIGRPAHVIAAFDTELFGHWWYEGPTWLQ
RVLRALPAAGVRVGTLSDAIADGFVGDPVELPPSSWGSGKDWQVWSGAKVADLVQLNSEV
VDTALTTIDKALAQTASLDGPLPRDHVADQILRETLLTVSSDWPFMVSKDSAADYARYRA
HLHAHATREIAGALAAGRRDTARRLAEGWNRADGLFGALDARRLPK

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MNTSASPVPGLFTLVLHTHLPWLAHHGRWPVGEEWLYQSWAAAYLPLLQVLAALADENRHRLITLGMTPVVNAQLDDPYCLNGVHHWLANWQLRAEEAASVRYARQSKSADYPSCTPEALRAFGIRECADAARALDNFATRWRHGGSPLLRGLIDAGTVELLGGPLAHPFQPLLAPRLREFALREGLADAQLRLAHRPKGIWAPECAYAPGMEVDYATAGVSHFMVDGPSLHGDTALGRPVGKTDVVAFGRDLQVSYRVWSPKSGYPGHAAYRDFHTYDHLTGLKPARVTGRNVPSEQKAPYDPERADRAVDVHVADFVDVVRNRLLSESERIGRPAHVIAAFDTELFGHWWYEGPTWLQRVLRALPAAGVRVGTLSDAIADGFVGDPVELPPSSWGSGKDWQVWSGAKVADLVQLNSEVVDTALTTIDKALAQTASLDGPLPRDHVADQILRETLLTVSSDWPFMVSKDSAADYARYRAHLHAHATREIAGALAAGRRDTARRLAEGWNRADGLFGALDARRLPK
Prediction	CCCCCCCCCCEEEEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCEEEEEHCHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHCCEEEEHCCCCCHHHHCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHCCEEEEHCCCCCCCCCCCCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCEEEEHCCCCCCCCCCCHHHHHHHHHHHHHHCCCCEEHCHHHHHHHCCCCCEEHCCCCCCCCCCCCCHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHCCHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHCCCCCCCCCCCCCC
Conf.Score	9998899885899998556765568899875558999999999999999999999989985799997689999985878888999999999999999988877776655555567899999975566778999999999998657899999999989979996677656775699899999999999999999799998756887678857999999989969998675556778888888888889995787666555567788888855455556666677654455467777767778899999999999999999999999999999859997899966765567776558999999999965579688589999987688756656898778899754468987567999999999999999999998755567765899999999999999985675565478885789999999999999999999985988858999999999868887777544589
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MNTSASPVPGLFTLVLHTHLPWLAHHGRWPVGEEWLYQSWAAAYLPLLQVLAALADENRHRLITLGMTPVVNAQLDDPYCLNGVHHWLANWQLRAEEAASVRYARQSKSADYPSCTPEALRAFGIRECADAARALDNFATRWRHGGSPLLRGLIDAGTVELLGGPLAHPFQPLLAPRLREFALREGLADAQLRLAHRPKGIWAPECAYAPGMEVDYATAGVSHFMVDGPSLHGDTALGRPVGKTDVVAFGRDLQVSYRVWSPKSGYPGHAAYRDFHTYDHLTGLKPARVTGRNVPSEQKAPYDPERADRAVDVHVADFVDVVRNRLLSESERIGRPAHVIAAFDTELFGHWWYEGPTWLQRVLRALPAAGVRVGTLSDAIADGFVGDPVELPPSSWGSGKDWQVWSGAKVADLVQLNSEVVDTALTTIDKALAQTASLDGPLPRDHVADQILRETLLTVSSDWPFMVSKDSAADYARYRAHLHAHATREIAGALAAGRRDTARRLAEGWNRADGLFGALDARRLPK
Prediction	8655565220000000000000022245322012000000030000001003303756141200000000001003262136203500440131024003211343354352342124103312232133035004402530353015104401743200000000000000002440021004200510361042405103000000134015103714020000002102363100101214100000004500330233530131212002124252111030110003424164331032520252035003200430252035117526320000000102100201200130032004204655021010020045224433040120000341211001036121003102400320041045115533536454113200300020000000000000134422240035003300400230041046632532330043036521001301113148
	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

CCCCCCCCCCEEEEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCCEEEEEHCHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCHHHHHHHHHHHCCEEEEHCCCCCHHHHCCCHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCHHHHHHHHHCCEEEEHCCCCCCCCCCCCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEHCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCEEEEHCCCCCCCCCCCHHHHHHHHHHHHHHCCCCEEHCHHHHHHHCCCCCEEHCCCCCCCCCCCCCHCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHHHHCCHHHHHCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCCCHHHHHHHHHHHHCCCCCCCCCCCCCC
MNTSASPVPGLFTLVLHTHLPWLAHHGRWPVGEEWLYQSWAAAYLPLLQVLAALADENRHRLITLGMTPVVNAQLDDPYCLNGVHHWLANWQLRAEEAASVRYARQSKSADYPSCTPEALRAFGIRECADAARALDNFATRWRHGGSPLLRGLIDAGTVELLGGPLAHPFQPLLAPRLREFALREGLADAQLRLAHRPKGIWAPECAYAPGMEVDYATAGVSHFMVDGPSLHGDTALGRPVGKTDVVAFGRDLQVSYRVWSPKSGYPGHAAYRDFHTYDHLTGLKPARVTGRNVPSEQKAPYDPERADRAVDVHVADFVDVVRNRLLSESERIGRPAHVIAAFDTELFGHWWYEGPTWLQRVLRALPAAGVRVGTLSDAIADGFVGDPVELPPSSWGSGKDWQVWSGAKVADLVQLNSEVVDTALTTIDKALAQTASLDGPLPRDHVADQILRETLLTVSSDWPFMVSKDSAADYARYRAHLHAHATREIAGALAAGRRDTARRLAEGWNRADGLFGALDARRLPK

3n8tA

0.29

0.28

0.94

2.97

MUSTER

-------MKGYLTFVLHTHIPYVRKHGKWPFGEEWVFEAISETYIPLLMEFERLRDSGVKFGIVINVTPVLAEQLTDEYMKKAFEEYMERKLKAMEEDLKSGKYD----------------EKAVSYMLNYFRKVYDYWKAINGDIIGKLRELQDQGYVEVITSAATHGYLPLLRDEAIRAQIANGVATYEKHFGMKPKGIWLPECAYRPAIEKFLEEFGLRYFFVESRLIDTEKTTLRPYKGSNVAVFARNRETGHQVWSAHYGYPGDFWYREFHKKAPKSGGQYWRITSKEVGLGEKEFYDPDKAMERVEEHARHFVSLVERLLREHEEKFGEKGIIVAPYDTELFGHWWFEGVKWLGRVLELLYQRGVETPTLSRFLEEYSGKHEIELPEGSWGANSDHSTWWNEETEWTWPHIYRAEDRMVAIVSRFR------GRDELTNRVIEQLARELLILEASDWQFLITTGQAKEYAKRRVLIHSRDFHRLANELVRYVGEFDVKLLEELEERDNPFRPVVVGPYVS

3n8tA

0.29

0.28

0.94

4.61

dPPAS

-------MKGYLTFVLHTHIPYVRKHGKWPFGEEWVFEAISETYIPLLMEFERLRDSGVKFGIVINVTPVLAEQLTDEYMKKAFEEYMERKLKAMEEDLKSGKYD----------------EKAVSYMLNYFRKVYDYWKAINGDIIGKLRELQDQGYVEVITSAATHGYLPLLGDEAIRAQIANGVATYEKHFGMKPKGIWLPECAYRPGIEKFLEEFGLRYFFVESRLIDEGPASNVYGKGSNVAVFARNRETGHQVWSAHYGYPGDFWYREFHKKAPKSGGQYWRITSKEVGLGEKEFYDPDKAMERVEEHARHFVSLVERLLREHEEKFGEKGIIVAPYDTELFGHWWFEGVKWLGRVLELLYQRGVETPTLSRFLEEYSEKHEIELPEGSWGANSDHSTWWNEETEWTWPHIYRAEDRMVAIVSRFR------GRDELTNRVIEQLARELLILEASDWQFLITTGQAKEYAKRRVLIHSRDFHRLANELVRYVGEFDVKLLEELEERDNPFRPVVVGPYVS

2b5dX

0.25

0.23

0.92

5.78

wdPPAS

-------MRGKILIFLHAHLPYVHHPEYDHFEERWLFEAITETYIPLLMMFDEIE----DFRLTMSITPPLMEMLSSRDLQEKYERHMEKLIELANKEVERTKK------------EHPLKHKMAKFYREHFEKILNVFRSYDGNILEGFKKYQETGKLEIVTCNATHAFLPLYQPEVVNAQITVGVKNYEKHMKKHPRGIWLAECGYYQGLDLYLAQNNVEYFFVDSHAFWFADEQPRYMTPSGVFAFARDPESSEQVWSAAVGYPGDPRYREFYRVRINTGIKYHRITSKSLDASQKEYYDIDLAMEAVEEHARDFLHKKESQARRLMDIMGVEPVIVAPFDAELFGHWWFEGVFFLKRFFELVNEKDLKLVTASEVIDTLEEVQIATPADSSW----------GATNDWIYRHLHEMIERMIDLSKKYY-----NSSDPLVERVLNQMLRELFLAQSSDWAFIMTTRTSVQYAENRTKLHIKRFLNLYDQLVSGRID--EEMLRYYEWTDAIFPEINFRVMAR

3n8tA

0.29

0.28

0.94

3.43

wMUSTER

--------KGYLTFVLHTHIPYVRKHGKWPFGEEWVFEAISETYIPLLMEFERLRDSGVKFGIVINVTPVLAEQLTDEYMKKAFEEYMERKLKAMEEDLKSGKYD----------------EKAVSYMLNYFRKVYDYWKAINGDIIGKLRELQDQGYVEVITSAATHGYLPLLRDEAIRAQIANGVATYEKHFGMKPKGIWLPECAYRPAIEKFLEEFGLRYFFVESRLIDTEKTTLRPYKGSNVAVFARNRETGHQVWSAHYGYPGDFWYREFHKKAPKSGGQYWRITSKEVGLGEKEFYDPDKAMERVEEHARHFVSLVERLLREHEEKFGEKGIIVAPYDTELFGHWWFEGVKWLGRVLELLYQRGVETPTLSRFLEEYSGKHEIELPEGSWGANSDHSTWWNEETEWTWPHIYRAEDRMVAIVSRFR------GRDELTNRVIEQLARELLILEASDWQFLITTGQAKEYAKRRVLIHSRDFHRLANELVRYVGEFDVKLLEELEERDNPFRPVVVGPYVS

2b5dX

0.25

0.23

0.92

5.60

wPPAS

M-------RGKILIFLHAHLPYVHHPEYDHFEERWLFEAITETYIPLLMMFDEIE----DFRLTMSITPPLMEMLSSRDLQEKYERHMEKLIELANKEVERTKK------------EHPLKHKMAKFYREHFEKILNVFRSYDGNILEGFKKYQETGKLEIVTCNATHAFLPLYQPEVVNAQITVGVKNYEKHMKKHPRGIWLAECGYYQGLDLYLAQNNVEYFFVDSHAFWFADEVYRPITPSGVFAFARDPESSEQVWSAAVGYPGDPRYREFYRVRINTGIKYHRITSKSLDASQKEYYDIDLAMEAVEEHARDFLHKKESQARRLMDIMGVEPVIVAPFDAELFGHWWFEGVFFLKRFFELVNEKDLKLVTASEVIDTLEEVQIATPADSSW---GATNDWIYRHLHEMIERMIDLSKKYYN------------SSDPLVERVLNQMLRELFLAQSSDWAFIMTTRTSVQYAENRTKLHIKRFLNLYDQLVSGRID--EEMLRYYEWTDAIFPEINFRVMAR

3n8tA

0.29

0.28

0.94

10.11

dPPAS2

-------MKGYLTFVLHTHIPYVRKHGKWPFGEEWVFEAISETYIPLLMEFERLRDSGVKFGIVINVTPVLAEQLTDEYMKKAFEEYMERKLKAMEEDLKSGKYD----------------EKAVSYMLNYFRKVYDYWKAINGDIIGKLRELQDQGYVEVITSAATHGYLPLLGDEAIRAQIANGVATYEKHFGMKPKGIWLPECAYRPGIEKFLEEFGLRYFFVESRLIDEGPASNVYGKGSNVAVFARNRETGHQVWSAHYGYPGDFWYREFHKKAPKSGGQYWRITSKEVGLGEKEFYDPDKAMERVEEHARHFVSLVERLLREHEEKFGEKGIIVAPYDTELFGHWWFEGVKWLGRVLELLYQRGVETPTLSRFLEEYSEKHEIELPEGSWGANSDHSTWWNEETEWTWPHIYRAEDRMVAIVSRFR------GRDELTNRVIEQLARELLILEASDWQFLITTGQAKEYAKRRVLIHSRDFHRLANELVRYVGEFDVKLLEELEERDNPFRPVVVGPYVS

3n8tA

0.30

0.28

0.94

5.07

PPAS

-------MKGYLTFVLHTHIPYVRKHGKWPFGEEWVFEAISETYIPLLMEFERLRDSGVKFGIVINVTPVLAEQLTDEYMKKAFEEYMERKLKAMEEDLKSGKYD----------------EKAVSYMLNYFRKVYDYWKAINGDIIGKLRELQDQGYVEVITSAATHGYLPLLGDEAIRAQIANGVATYEKHFGMKPKGIWLPECAYRPGIEKFLEEFGLRYFFVESRLIDEGPATLRPYKGSNVAVFARNRETGHQVWSAHYGYPGDFWYREFHKKAPKSGGQYWRITSKEVGLGEKEFYDPDKAMERVEEHARHFVSLVERLLREHEEKFGEKGIIVAPYDTELFGHWWFEGVKWLGRVLELLYQRGVETPTLSRFLEEYSGKHEIELPEGSWGANSDHSTWWNEETEWTWPHIYRAEDRMVAIVSRFR------GRDELTNRVIEQLARELLILEASDWQFLITTGQAKEYAKRRVLIHSRDFHRLANELVRYVGEFDVKLLEELEERDNPFRPVVVGPYVS

2b5dX

0.25

0.23

0.92

8.53

Env-PPAS

-------MRGKILIFLHAHLPYVHHPEYDHFEERWLFEAITETYIPLLMMFDEI----EDFRLTMSITPPLMEMLSSRDLQEKYERHMEKLIELANKEVERTKKEH------------PLKHKMAKFYREHFEKILNVFRSYDGNILEGFKKYQETGKLEIVTCNATHAFLPLYQPEVVNAQITVGVKNYEKHMKKHPRGIWLAECGYYQGLDLYLAQNNVEYFFVDSHAFWFADEVYRPMTPSGVFAFARDPESSEQVWSAAVGYPGDPRYREFYRDRINTGIKYHRITSKSLDASQKEYYDIDLAMEAVEEHARDFLHKKESQARRLMDIMGVEPVIVAPFDAELFGHWWFEGVFFLKRFFELVNEKDLKLVTASEVIDTLEEVQIATPADSSWGATND----------WIYRHLHEMIERMIDLSKKYY-----NSSDPLVERVLNQMLRELFLAQSSDWAFIMTTRTSVQYAENRTKLHIKRFLNLYDQLVSGRID--EEMLRYYEWTDAIFPEINFRVMAR

2b5dX

0.25

0.23

0.92

2.97

MUSTER

-------MRGKILIFLHAHLPYVHHPEYDHFEERWLFEAITETYIPLLMMFDEIE----DFRLTMSITPPLMEMLSSRDLQEKYERHMEKLIELANKEVERTKK------------EHPLKHKMAKFYREHFEKILNVFRSYDGNILEGFKKYQETGKLEIVTCNATHAFLPLYYPEVVNAQITVGVKNYEKHMKKHPRGIWLAECGYYQGLDLYLAQNNVEYFFVDSHAFQPRYGVYRPITPSGVFAFARDPESSEQVWSAAVGYPGDPRYREFYRVRINTGIKYHRITSKSLDASQKEYYDIDLAMEAVEEHARDFLHKKESQARRLMDIMGVEPVIVAPFDAELFGHWWFEGVFFLKRFFELVNEKDLKLVTASEVIDTLEEVQIATPADSSW----------GATNDWIYRHLHEMIERMIDLSKKYYN-----SSDPLVERVLNQMLRELFLAQSSDWAFIMTTRTSVQYAENRTKLHIKRFLNLYDQLVSGRID--EEMLRYYEWTDAIFPEINFRVMAR

2b5dX

0.25

0.23

0.92

4.51

dPPAS

-------MRGKILIFLHAHLPYVHHPEYDHFEERWLFEAITETYIPLLMMFDEI----EDFRLTMSITPPLMEMLSSRDLQEKYERHMEKLIELANKEVERTKK------------EHPLKHKMAKFYREHFEKILNVFRSYDGNILEGFKKYQETGKLEIVTCNATHAFLPLYQPEVVNAQITVGVKNYEKHMKKHPRGIWLAECGYYQGLDLYLAQNNVEYFFVDSHAFWFADEQPRYGVPSGVFAFARDPESSEQVWSAAVGYPGDPRYREFYRVRINTGIKYHRITSKSLDASQKEYYDIDLAMEAVEEHARDFLHKKESQARRLMDIMGVEPVIVAPFDAELFGHWWFEGVFFLKRFFELVNEKDLKLVTASEVIDTLEEVQIATPADSSWGATND----------WIYRHLHEMIERMIDLSKKYY-----NSSDPLVERVLNQMLRELFLAQSSDWAFIMTTRTSVQYAENRTKLHIKRFLNLYDQLVSGRID--EEMLRYYEWTDAIFPEINFRVMAR

(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=1.08

Estimated TM-score = 0.86±0.07

Estimated RMSD = 5.1±3.3Å

Download Model 2

C-score=0.53

Download Model 3

C-score=0.30

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	2b5dX	0.883	1.96	0.243	0.924
2	1ufaA	0.872	1.50	0.313	0.899
3	3dx4A	0.616	4.72	0.107	0.770
4	1k1yA	0.598	3.07	0.149	0.658
5	2wyhA	0.580	4.27	0.087	0.703
6	3lm3A	0.431	4.89	0.057	0.538
7	1z7aF	0.412	3.44	0.096	0.470
8	2w61A	0.403	6.15	0.052	0.565
9	1tg7A	0.399	6.21	0.065	0.567
10	1o7dA	0.395	4.59	0.095	0.489

(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	2	3n98A	BGC	Rep, Mult	19,21,35,462,471
2	0.19	2	3n98A	BGC	Rep, Mult	260,261,262,268
3	0.14	2	2w63A	BGC	Rep, Mult	164,165,166,184,210
4	0.07	1	3bvtA	MPD	Rep, Mult	186,187,190,202

	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	1qhoA	0.370	6.21	0.087	0.525	3.2.1.133	344
2	0.060	1qbaA	0.372	5.42	0.037	0.487	3.2.1.52	316
3	0.060	3cmjA	0.385	5.33	0.063	0.506	3.2.1.21	NA
4	0.060	2e9lA	0.353	5.81	0.060	0.489	3.2.1.21	NA
5	0.060	2zoxA	0.383	5.44	0.070	0.506	3.2.1.21	377
6	0.060	2qf7A	0.388	6.19	0.057	0.555	6.4.1.1	227
7	0.060	3bicB	0.371	6.83	0.035	0.567	5.4.99.2	73,185
8	0.060	1xc6A	0.398	6.25	0.065	0.563	3.2.1.23	170,172,208,344
9	0.060	2jieA	0.380	5.43	0.040	0.502	3.2.1.21	NA
10	0.060	1h4pA	0.371	5.84	0.071	0.517	3.2.1.58	160
11	0.060	1reqA	0.386	6.67	0.037	0.576	5.4.99.2	223,454
12	0.060	1gowA	0.366	5.58	0.046	0.489	3.2.1.23	NA
13	0.060	1e1cA	0.386	6.74	0.040	0.580	5.4.99.2	NA
14	0.060	2ow6A	0.616	4.73	0.107	0.770	3.2.1.114	NA
15	0.060	1np2A	0.379	5.40	0.085	0.500	3.2.1.21	NA
16	0.060	1edgA	0.367	5.02	0.055	0.471	3.2.1.4	223
17	0.060	1k1xA	0.598	3.05	0.149	0.658	2.4.1.25	206
18	0.060	1gnxA	0.385	5.18	0.088	0.500	3.2.1.21	NA
19	0.060	1cbgA	0.385	5.44	0.067	0.508	3.2.1.21	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	0.53	0.888	1.55	0.31	0.92	3p0bA	GO:0003824 GO:0003844 GO:0005975 GO:0005977 GO:0005978 GO:0016740 GO:0016757
1	0.50	0.883	1.96	0.24	0.92	2b5dX
2	0.23	0.931	1.02	0.30	0.94	3n8tA	GO:0000150 GO:0000166 GO:0000400 GO:0000730 GO:0003690 GO:0003697 GO:0003824 GO:0003844 GO:0004134 GO:0004520 GO:0004556 GO:0004557 GO:0005975 GO:0006312 GO:0008094 GO:0010212 GO:0016740 GO:0016757 GO:0030979 GO:0042148 GO:0051060
3	0.20	0.598	3.05	0.15	0.66	1k1xA	GO:0003824 GO:0004134 GO:0005975 GO:0005977 GO:0016740 GO:0016757 GO:0030246
4	0.06	0.346	5.85	0.06	0.48	1vffA	GO:0004553 GO:0005975
5	0.06	0.296	6.05	0.04	0.43	3w24A	GO:0000272 GO:0004553 GO:0005975 GO:0008152 GO:0016052 GO:0016787 GO:0016798 GO:0030246 GO:0031176
6	0.06	0.285	7.21	0.05	0.45	3ux8A	GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
7	0.06	0.256	7.52	0.06	0.42	3t58B	GO:0000139 GO:0003756 GO:0005576 GO:0005615 GO:0005783 GO:0005794 GO:0006457 GO:0016020 GO:0016021 GO:0016242 GO:0016491 GO:0016971 GO:0016972 GO:0030173 GO:0043231 GO:0045171 GO:0045454 GO:0055114 GO:0070062
8	0.06	0.272	7.52	0.04	0.45	2r6fB	GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
9	0.06	0.299	7.52	0.04	0.48	2r6fA	GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
10	0.06	0.294	7.57	0.04	0.49	3uwxA	GO:0000166 GO:0003677 GO:0003824 GO:0004518 GO:0005524 GO:0005737 GO:0006281 GO:0006289 GO:0006974 GO:0008270 GO:0009380 GO:0009381 GO:0009432 GO:0016887 GO:0046872 GO:0090305
11	0.06	0.280	7.40	0.03	0.44	3cghA	GO:0046872
12	0.06	0.240	7.16	0.04	0.38	2popA	GO:0000185 GO:0000187 GO:0001701 GO:0002223 GO:0002755 GO:0003007 GO:0003279 GO:0003824 GO:0004722 GO:0005654 GO:0005737 GO:0005829 GO:0006470 GO:0007179 GO:0007249 GO:0007254 GO:0008047 GO:0010008 GO:0019209 GO:0030324 GO:0035904 GO:0038095 GO:0051092 GO:0060976 GO:0070423
13	0.06	0.212	7.80	0.04	0.36	3v97B	GO:0003676 GO:0003723 GO:0005737 GO:0006364 GO:0008168 GO:0008990 GO:0016740 GO:0031167 GO:0032259 GO:0052915 GO:0070043 GO:0070475 GO:0070476
14	0.06	0.176	5.80	0.05	0.25	3u9lA	GO:0004316 GO:0016491 GO:0055114 GO:0102132
15	0.06	0.263	6.92	0.05	0.40	2j4oA	GO:0000185 GO:0000187 GO:0001701 GO:0002223 GO:0002755 GO:0003007 GO:0003279 GO:0003824 GO:0004722 GO:0005654 GO:0005737 GO:0005829 GO:0006470 GO:0007179 GO:0007249 GO:0007254 GO:0008047 GO:0010008 GO:0019209 GO:0030324 GO:0035904 GO:0038095 GO:0051092 GO:0060976 GO:0070423
16	0.06	0.207	6.08	0.06	0.29	4fj0D	GO:0000166 GO:0016491 GO:0055114
17	0.06	0.209	6.16	0.05	0.30	3wtbA	GO:0016491 GO:0055114
18	0.06	0.206	6.45	0.03	0.31	4xmpG	GO:0005198 GO:0016020 GO:0016021 GO:0016032 GO:0019012 GO:0019031 GO:0019062 GO:0020002 GO:0033644 GO:0039663 GO:0044174 GO:0044175 GO:0046718 GO:0055036

Consensus prediction of GO terms

Molecular Function	GO:0003844	GO:1901265	GO:0015925	GO:0000217	GO:0036094	GO:0004519	GO:0016160	GO:0004536	GO:0042623	GO:0004134
GO-Score	0.64	0.46	0.46	0.46	0.46	0.46	0.46	0.46	0.46	0.39
Biological Processes	GO:0005978	GO:0045003	GO:0009314	GO:0030978	GO:0065004
GO-Score	0.53	0.46	0.46	0.46	0.46
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.