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I-TASSER results for job id S773643

(Click on S773643_results.tar.bz2 to download the tarball file including all modeling results listed on this page. Click on Annotation of I-TASSER Output to read the instructions for how to interpret the results on this page. Model results are kept on the server for 60 days, there is no way to retrieve the modeling data older than 2 months)

Submitted Sequence in FASTA format

>GRHL3
MSNELDFRSVRLLKNDPVNLQKFSYTSEDEAWKTYLENPLTAATKAMMRVNGDDDSVAAL
SFLYDYYMGPKEKRILSSSTGGRNDQGKRYYHGMEYETDLTPLESPTHLMKFLTENVSGT
PEYPDLLKKNNLMSLEGALPTPGKAAPLPAGPSKLEAGSVDSYLLPTTDMYDNGSLNSLF
ESIHGVPPTQRWQPDSTFKDDPQESMLFPDILKTSPEPPCPEDYPSLKSDFEYTLGSPKA
IHIKSGESPMAYLNKGQFYPVTLRTPAGGKGLALSSNKVKSVVMVVFDNEKVPVEQLRFW
KHWHSRQPTAKQRVIDVADCKENFNTVEHIEEVAYNALSFVWNVNEEAKVFIGVNCLSTD
FSSQKGVKGVPLNLQIDTYDCGLGTERLVHRAVCQIKIFCDKGAERKMRDDERKQFRRKV
KCPDSSNSGVKGCLLSGFRGNETTYLRPETDLETPPVLFIPNVHFSSLQRSGGAAPSAGP
SSSNRLPLKRTCSPFTEEFEPLPSKQAKEGDLQRVLLYVRRETEEVFDALMLKTPDLKGL
RNAISEKYGFPEENIYKVYKKCKRGETSLLHPRLSRHPPPDCLECSHPVTQVRNMGFGDG
FWRQRDLDSNPSPTTVNSLHFTVNSE

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSNELDFRSVRLLKNDPVNLQKFSYTSEDEAWKTYLENPLTAATKAMMRVNGDDDSVAALSFLYDYYMGPKEKRILSSSTGGRNDQGKRYYHGMEYETDLTPLESPTHLMKFLTENVSGTPEYPDLLKKNNLMSLEGALPTPGKAAPLPAGPSKLEAGSVDSYLLPTTDMYDNGSLNSLFESIHGVPPTQRWQPDSTFKDDPQESMLFPDILKTSPEPPCPEDYPSLKSDFEYTLGSPKAIHIKSGESPMAYLNKGQFYPVTLRTPAGGKGLALSSNKVKSVVMVVFDNEKVPVEQLRFWKHWHSRQPTAKQRVIDVADCKENFNTVEHIEEVAYNALSFVWNVNEEAKVFIGVNCLSTDFSSQKGVKGVPLNLQIDTYDCGLGTERLVHRAVCQIKIFCDKGAERKMRDDERKQFRRKVKCPDSSNSGVKGCLLSGFRGNETTYLRPETDLETPPVLFIPNVHFSSLQRSGGAAPSAGPSSSNRLPLKRTCSPFTEEFEPLPSKQAKEGDLQRVLLYVRRETEEVFDALMLKTPDLKGLRNAISEKYGFPEENIYKVYKKCKRGETSLLHPRLSRHPPPDCLECSHPVTQVRNMGFGDGFWRQRDLDSNPSPTTVNSLHFTVNSE
Prediction	CCCCCCCCCHHHCCCCCCHHHHCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSCCCCCCSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHCCCCCCCCCCCCCCCCCSSSSSSCCCCCCCCCCCCCCSSSCCCCSSSSSSSSCCCCCCCCCCCCSSSSSSSSSSCCCCCHHHHHHHHHHHHHCCCCCCSSSSSSCCCCCCCCCSSCCCCCCCCSSSSSSCCCCCSSSSSSSSSSCCCCCCCCCCCCCCSSSSSSSSSCCCCCCCCCSSSSSSSSSSCCHHCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSSCCCCCCCSSSSCCCCCHHHHHHHHHHHHCCCHHHHHHHHSSCCCCSSSSSCHHHHHCCCCCCCCCCCCCSSSSSSCCCCCSSSSCCCCCCCCCCSSSSSSSSSCCC
Conf.Score	96312455210066760111111356831657776318332123344565788876454103344202885655567887776775666467678767677767631110356731145788533346666667677778887656668887554568888746888776788777883223678984334688865556752111356500015678776555677777489985774445477887544321671279998536887655688847999999996154441439999999985099872046762156667683432575545606886158775268999766113335457856761599987652478988634056668876400000045542689998877876642145555445577768885411687766789856588545576112577788877543455344466766634457785345577777638999863651331004316878999999999986989999888861289704999247896467533334567644678620467601403466798985123468873279
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500 520 540 560 580 600 620 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MSNELDFRSVRLLKNDPVNLQKFSYTSEDEAWKTYLENPLTAATKAMMRVNGDDDSVAALSFLYDYYMGPKEKRILSSSTGGRNDQGKRYYHGMEYETDLTPLESPTHLMKFLTENVSGTPEYPDLLKKNNLMSLEGALPTPGKAAPLPAGPSKLEAGSVDSYLLPTTDMYDNGSLNSLFESIHGVPPTQRWQPDSTFKDDPQESMLFPDILKTSPEPPCPEDYPSLKSDFEYTLGSPKAIHIKSGESPMAYLNKGQFYPVTLRTPAGGKGLALSSNKVKSVVMVVFDNEKVPVEQLRFWKHWHSRQPTAKQRVIDVADCKENFNTVEHIEEVAYNALSFVWNVNEEAKVFIGVNCLSTDFSSQKGVKGVPLNLQIDTYDCGLGTERLVHRAVCQIKIFCDKGAERKMRDDERKQFRRKVKCPDSSNSGVKGCLLSGFRGNETTYLRPETDLETPPVLFIPNVHFSSLQRSGGAAPSAGPSSSNRLPLKRTCSPFTEEFEPLPSKQAKEGDLQRVLLYVRRETEEVFDALMLKTPDLKGLRNAISEKYGFPEENIYKVYKKCKRGETSLLHPRLSRHPPPDCLECSHPVTQVRNMGFGDGFWRQRDLDSNPSPTTVNSLHFTVNSE
Prediction	64442432103214223233434514464420341143114213432241334444142132014314225533224443454444443333324323313312110121231122021333344334443334342323323221222333343434333323124333133333323243333333433233323243333342333433433433433343444412010001002023433743102101431000010332443532624322010001000114632630340033026423343222022312434332333134220100001031353020102010010403443223001010001013336634420120000010023312624344434333533452353344436333234343241121331432533121101433233143323222334343333223432232346323333343345542420000022454410200103312053014101621704362023002324300001011300320364334001100001305344221343424643433303102021458
	Values range from 0 (buried residue) to 9 (highly exposed residue)

Predicted normalized B-factor

(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

(I-TASSER modeling starts from the structure templates identified by LOMETS from the PDB library. LOMETS is a meta-server threading approach containing multiple threading programs, where each threading program can generate tens of thousands of template alignments. I-TASSER only uses the templates of the highest significance in the threading alignments, the significance of which are measured by the Z-score, i.e. the difference between the raw and average scores in the unit of standard deviation. The templates in this section are the 10 best templates selected from the LOMETS threading programs. Usually, one template of the highest Z-score is selected from each threading program, where the threading programs are sorted by the average performance in the large-scale benchmark test experiments.)

Rank

PDB
Hit

Iden1

Iden2

Cov

Norm.
Z-score

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                 540                 560                 580                 600                 620
                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |                   |      

Sec.Str
Seq

CCCCCCCCCHHHCCCCCCHHHHCCCCCCHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSCCCCCCSSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHCCCCCCCCCCCCCCCCCSSSSSSCCCCCCCCCCCCCCSSSCCCCSSSSSSSSCCCCCCCCCCCCSSSSSSSSSSCCCCCHHHHHHHHHHHHHCCCCCCSSSSSSCCCCCCCCCSSCCCCCCCCSSSSSSCCCCCSSSSSSSSSSCCCCCCCCCCCCCCSSSSSSSSSCCCCCCCCCSSSSSSSSSSCCHHCCCCCCCHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSSSSSSSCCCCCCCSSSSCCCCCHHHHHHHHHHHHCCCHHHHHHHHSSCCCCSSSSSCHHHHHCCCCCCCCCCCCCSSSSSSCCCCCSSSSCCCCCCCCCCSSSSSSSSSCCC
MSNELDFRSVRLLKNDPVNLQKFSYTSEDEAWKTYLENPLTAATKAMMRVNGDDDSVAALSFLYDYYMGPKEKRILSSSTGGRNDQGKRYYHGMEYETDLTPLESPTHLMKFLTENVSGTPEYPDLLKKNNLMSLEGALPTPGKAAPLPAGPSKLEAGSVDSYLLPTTDMYDNGSLNSLFESIHGVPPTQRWQPDSTFKDDPQESMLFPDILKTSPEPPCPEDYPSLKSDFEYTLGSPKAIHIKSGESPMAYLNKGQFYPVTLRTPAGGKGLALSSNKVKSVVMVVFDNEKVPVEQLRFWKHWHSRQPTAKQRVIDVADCKENFNTVEHIEEVAYNALSFVWNVNEEAKVFIGVNCLSTDFSSQKGVKGVPLNLQIDTYDCGLGTERLVHRAVCQIKIFCDKGAERKMRDDERKQFRRKVKCPDSSNSGVKGCLLSGFRGNETTYLRPETDLETPPVLFIPNVHFSSLQRSGGAAPSAGPSSSNRLPLKRTCSPFTEEFEPLPSKQAKEGDLQRVLLYVRRETEEVFDALMLKTPDLKGLRNAISEKYGFPEENIYKVYKKCKRGETSLLHPRLSRHPPPDCLECSHPVTQVRNMGFGDGFWRQRDLDSNPSPTTVNSLHFTVNSE

5mphA

0.62

0.21

0.33

3.21

Download

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NNFEYTLEASKSLRQKPGDSTMTYLNKGQFYPITLKEVS--------SSKVRSVIMVVFAEDKSREDQLRHWKYWHSRQHTAKQRCIDIADYKESFNTISNVEEIAYNAISFTWDINDEAKVFISVNCLSTDFS--SQVKGLPLNIQIDTYSYNNRSNKPVHRAYCQIKVFCDKGAERKIRDEERK-------------------------QMDITVFKPFIDLDTQPVLFIPDVHFAN---------------------------------------------------------------------------------------------------------------------------------------------------------------

7e2cI

0.09

0.22

0.87

1.14

Download

IVDILSIEIGLLYYQKKYEEAVSLFLSCYEYYTQIGLKILQVFIDSLSHCASAVLTNAFLNILKLCKDNDSKEIFMDLQMKVHLARANVSAIEVNLKSYGFPEDISTKTMRLSLKNIVFGASDFLLKKGENKLILECRDIMYGEFSLLSFEIIVEGITFVKEFPENQDEFIVVPEIYCKESTKVLVKQAHNLNLLELKSVQSDALESLQVEVEVQKNIGNMKNLPVSFSMDEIQARKRYNTPFENVRLE------------------YYLLDQITAFDLIIKTSFTKKNDQ-------------GTFGETKKVRIQCYLQLSVSVEDIFKKDIFFFKFLLNSSVREEPVILYSSELSAPDTRNDYNIRG----------DYIATTPALITFDGNCYEITANNNFDSKDIKEQLDCFITDAVLIEGDV--------EWFILFEKWKTFWELEILKKLKYDYDAFKENRIIRLLKT-SIDLNKTKSKIRNLCIEKAVLDKILICLNKVSRGIAVC------NTDMDEYVRNLVPKQL--------------TVPVQLPGFEQFF----HVQFEQM----ETSHDALHDTIATI---GNSLSYTVIVENLSGQWGQDVIDDGGYIFEIL

5mpfA

0.66

0.21

0.31

0.90

Download

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NNFEYTLEASKSLR---GDSTMTYLNKGQFYPITLKEVS----------KVRSVIMVVFAEDKSREDQLRHWKYWHSRQHTAKQRCIDIADYKESFNTISNVEEIAYNAISFTWDINDEAKVFISVNCLSTDFSSQKGVKGLPLNIQIDTY-----NNKPVHRAYCQIKVFCDKGAERKIRDEERKQSKR----------------------MDITVFKPFIDLDTQPVLFIPDVH------------------------------------------------------------------------------------------------------------------------------------------------------------------

5mpf

0.66

0.21

0.31

12.21

Download

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NNFEYTLEASKSLR---GDSTMTYLNKGQFYPITLKEV----------SKVRSVIMVVFAEDKSREDQLRHWKYWHSRQHTAKQRCIDIADYKESFNTISNVEEIAYNAISFTWDINDEAKVFISVNCLSTDFSSQKGVKGLPLNIQIDTY-----NNKPVHRAYCQIKVFCDKGAERKIRDEERKQSK----------------------RMDITVFKPFIDLDTQPVLFIPDVH------------------------------------------------------------------------------------------------------------------------------------------------------------------

5mpfA

0.66

0.21

0.31

1.32

Download

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NNFEYTLEASKSLR---GDSTMTYLNKGQFYPITLKE----------VSKVRSVIMVVFAEDKSREDQLRHWKYWHSRQHTAKQRCIDIADYKESFNTISNVEEIAYNAISFTWDINDEAKVFISVNCLSTDFSSQKGVKGLPLNIQIDTY-----NNKPVHRAYCQIKVFCDKGAERKIRDEERKQSKR----------------------MDITVFKPFIDLDTQPVLFIPDVH------------------------------------------------------------------------------------------------------------------------------------------------------------------

5mpfA

0.67

0.21

0.31

1.93

Download

-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NFEYTLEASKSLR---GDSTMTYLNKGQFYPITLKEVS----------KVRSVIMVVFAEDKSREDQLRHWKYWHSRQHTAKQRCIDIADYKESFNTISNVEEIAYNAISFTWDINDEAKVFISVNCLSTDFSSQKGVKGLPLNIQIDTY-----NNKPVHRAYCQIKVFCDKGAERKIRDEERKQSKR----------------------MDITVFKPFIDLDTQPVLFIPDVH------------------------------------------------------------------------------------------------------------------------------------------------------------------

5mpf

0.66

0.21

0.31

10.02

Download

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NNFEYTLEASKSLR---GDSTMTYLNKGQFYPITLKEV----------SKVRSVIMVVFAEDKSREDQLRHWKYWHSRQHTAKQRCIDIADYKESFNTISNVEEIAYNAISFTWDINDEAKVFISVNCLSTDFSSQKGVKGLPLNIQIDTY-----NNKPVHRAYCQIKVFCDKGAERKIRDEERKQSKRM----------------------DITVFKPFIDLDTQPVLFIPDVH------------------------------------------------------------------------------------------------------------------------------------------------------------------

5mphA

0.63

0.21

0.33

4.02

Download

-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GNNFEYTLEASKSLRQKPGDSTMTYLNKGQFYPITLKEV--------SSSKVRSVIMVVFAEDKSREDQLRHWKYWHSRQHTAKQRCIDIADYKESFNTISNVEEIAYNAISFTWDINDEAKVFISVNCLSTDFSSQ--VKGLPLNIQIDTYSYNNRSNKPVHRAYCQIKVFCDKGAERKIRDEER-------------------------KQMDITVFKPFIDLDTQPVLFIPDVHFAN---------------------------------------------------------------------------------------------------------------------------------------------------------------

5mpf

0.66

0.21

0.31

7.34

Download

------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NNFEYTLEASKSLR---GDSTMTYLNKGQFYPITLKEV----------SKVRSVIMVVFAEDKSREDQLRHWKYWHSRQHTAKQRCIDIADYKESFNTISNVEEIAYNAISFTWDINDEAKVFISVNCLSTDFSSQKGVKGLPLNIQIDTY-----NNKPVHRAYCQIKVFCDKGAERKIRDEERKQSK----------------------RMDITVFKPFIDLDTQPVLFIPDVH------------------------------------------------------------------------------------------------------------------------------------------------------------------

7e2cI

0.06

0.22

0.95

1.74

Download

QVSMLSYFEFENVSNPLLCEIKAELLMLKRDNWVQGVMATSGYRLMDKNYPNSKETFVDETVFQENFASAVLTNAFLNILKLCKDNDSKMDLQMKVHLARANVSAIEVNLKSYGFPEDISTKTMRLSLKNMGGDVIVFGASDFLLKKGENKLILECRDIMYGEFSLLSFEIIVEGITFVKEFPENQDEFIVVPEIYCKESTKVLVKQAHNLNLGEYALELKSVQSDALESLQVEVEVQKNIKNLPVSFSMDEIQARKRYNTPFENVRLEYYLLDQITAFDLIIKTSFTKKND--------------QGTFGETKKVRIQCYLQLVEDIFKKDIFFFKFLLNSSVREEPVILYSSELSAPD-----TRNDYNIRGDYIATTPALITFDGNESFINCYEITANNNFDSKDITLKEQLDCFITDAVLIEGDVEWFILFELEILKKLKYDYDAFKENRIIRLLKTSIDLNKTKSKIRNLCIEKAVLDKILICLNKVSRGIAVCNTDMDEYVRNLVPKQLTVPVQLPGFEQFFHVQFEQM---------------ETSHDALHDTIATIGNSLSYTVIVENLSGQWGQDVIDDGGYIFEILSSNEWQKRCAIKEKRKEFEVHLIRVEITIN

(a)	All the residues are colored in black; however, those residues in template which are identical to the residue in the query sequence are highlighted in color. Coloring scheme is based on the property of amino acids, where polar are brightly coloured while non-polar residues are colored in dark shade. (more about the colors used)
(b)	Rank of templates represents the top ten threading templates used by I-TASSER.
(c)	Ident1 is the percentage sequence identity of the templates in the threading aligned region with the query sequence.
(d)	Ident2 is the percentage sequence identity of the whole template chains with query sequence.
(e)	Cov represents the coverage of the threading alignment and is equal to the number of aligned residues divided by the length of query protein.
(f)	Norm. Z-score is the normalized Z-score of the threading alignments. Alignment with a Normalized Z-score >1 mean a good alignment and vice versa.
(g)	Download Align. provides the 3D structure of the aligned regions of the threading templates.
(h)	The top 10 alignments reported above (in order of their ranking) are from the following threading programs:
	1: FFAS-3D 2: SPARKS-X 3: SP3 4: HHSEARCH 5: wdPPAS 6: Neff-PPAS 7: HHSEARCH2 8: pGenTHREADER 9: HHSEARCH I 10: PROSPECT2

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 a higher value signifies a model with a higher 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.)

(By right-click on the images, you can export image file or change the configurations, e.g. modifying the background color or stopping the spin of your models)

Download Model 1 C-score=-1.22 (Read more about C-score) Estimated TM-score = 0.56±0.15 Estimated RMSD = 10.7±4.6Å	Download Model 2 C-score = -2.58	Download Model 3 C-score = -2.42	Download Model 4 C-score = -2.77	Download Model 5 C-score = -2.60

Proteins structurally close to the target in the 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	Alignment
1	7e2cI	0.854	1.62	0.086	0.877	Download
2	8e20A	0.361	7.59	0.046	0.567	Download
3	7mp5A	0.356	7.97	0.035	0.575	Download
4	5ganA	0.349	7.97	0.064	0.577	Download
5	7wjiA	0.349	7.19	0.043	0.524	Download
6	7dpaA	0.347	7.90	0.040	0.554	Download
7	6g7eB	0.347	7.72	0.052	0.553	Download
8	7qtqA	0.346	7.34	0.043	0.535	Download
9	5gm6B	0.344	8.35	0.038	0.580	Download
10	6g2dC	0.343	7.71	0.036	0.546	Download

(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 COFACTOR and COACH

(This section reports biological annotations of the target protein by COFACTOR and COACH based on the I-TASSER structure prediction. While COFACTOR deduces protein functions (ligand-binding sites, EC and GO) using structure comparison and protein-protein networks, COACH is a meta-server approach that combines multiple function annotation results (on ligand-binding sites) 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	0.05	2	4ireB	OXL	Rep, Mult	414,417
2	0.05	2	2a69P	MG	Rep, Mult	298,302
3	0.03	1	N/A	N/A	N/A	195,314,315,316,318,320,342,347,409,411,413,414,417,453,462,467,468
4	0.02	1	N/A	N/A	N/A	207,208,232,234,268,269,281
5	0.02	1	2yl8A	MN	Rep, Mult	497,500

	Download the residue-specific ligand binding probability, which is estimated by SVM.
	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	0.106	1l9mB	0.293	7.24	0.034	0.446	2.3.2.13	NA
2	0.106	1f13A	0.316	7.47	0.044	0.490	2.3.2.13	NA
3	0.105	3hmjA	0.313	8.11	0.019	0.519	2.3.1.86	NA
4	0.104	2wyhA	0.297	7.57	0.044	0.460	3.2.1.24	NA
5	0.103	1ej6A	0.306	8.38	0.048	0.519	2.7.7.50	NA

	Click on the radio buttons to visualize predicted active site residues.
(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
Top 10 homologous GO templates in PDB
1	0.11	0.3128	7.73	0.02	0.49	3p8cA	GO:0051015 GO:0030032 GO:0003779 GO:0048675 GO:0045202 GO:0031529 GO:0030027 GO:0005515 GO:0042995 GO:0005845 GO:0001726 GO:0005737 GO:0019717 GO:0048471 GO:0048365 GO:0030154 GO:0008360 GO:0007275 GO:0030054 GO:0007399
2	0.11	0.3312	7.98	0.04	0.54	3pvmB	GO:0005515 GO:0006954 GO:0004866 GO:0005615 GO:0005576 GO:0006956
3	0.11	0.3283	8.37	0.03	0.55	2pffA	GO:0008610 GO:0000287 GO:0009058 GO:0005829 GO:0005835 GO:0006633 GO:0004316 GO:0004321 GO:0005515 GO:0009059 GO:0016740 GO:0005488 GO:0008897 GO:0004312 GO:0008152 GO:0005737 GO:0016491 GO:0004315 GO:0005739 GO:0055114 GO:0003824
4	0.11	0.3047	8.27	0.04	0.52	2zxqA	GO:0007155
5	0.11	0.3020	7.94	0.03	0.48	3k1qA	GO:0004482 GO:0004484 GO:0005524 GO:0019028 GO:0006370
6	0.11	0.3042	8.30	0.04	0.51	3cmuA	GO:0003697 GO:0048870 GO:0006310 GO:0017111 GO:0009432 GO:0006281 GO:0006950 GO:0003677 GO:0008094 GO:0006974 GO:0000166 GO:0006259 GO:0005737 GO:0005524
7	0.11	0.3200	7.81	0.04	0.51	3p8cB	GO:0005515 GO:0007417 GO:0016021 GO:0042995 GO:0016020 GO:0031258 GO:0006915 GO:0005886
8	0.11	0.3015	7.90	0.05	0.49	3o8oB	GO:0003872 GO:0005737 GO:0005945 GO:0006096
9	0.11	0.3087	7.54	0.04	0.48	3gq2A	GO:0000139 GO:0005488 GO:0005515 GO:0005737 GO:0006886 GO:0048280
10	0.10	0.3144	8.23	0.05	0.53	3pvmA	GO:0005576 GO:0006954 GO:0006956 GO:0004866 GO:0005615 GO:0005515

Consensus prediction of GO terms

Molecular Function GO:0005515

GO-Score 0.30

Biological Process GO:0048675 GO:0030032 GO:0008360 GO:0031529 GO:0009059 GO:0006956 GO:0006633 GO:0055114 GO:0006954 GO:0006370

GO-Score 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.11 0.11

Cellular Component GO:0044424

GO-Score 0.43

(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 S773643_results.tar.bz2 to download the tarball file including all modeling results listed on this page]

Please cite the following articles when you use the I-TASSER server:

Wei Zheng, Chengxin Zhang, Yang Li, Robin Pearce, Eric W. Bell, Yang Zhang. Folding non-homology proteins by coupling deep-learning contact maps with I-TASSER assembly simulations. Cell Reports Methods, 1: 100014 (2021).
Chengxin Zhang, Peter L. Freddolino, and Yang Zhang. COFACTOR: improved protein function prediction by combining structure, sequence and protein-protein interaction information. Nucleic Acids Research, 45: W291-299 (2017).
Jianyi Yang, Yang Zhang. I-TASSER server: new development for protein structure and function predictions, Nucleic Acids Research, 43: W174-W181, 2015.