I-TASSER results

I-TASSER results for job id Rv0785

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

Input Sequence in FASTA format

>protein (566 residues)
MALTCTDMSDAVAGSDAEGLTADAIVVGAGLAGLVAACELADRGLRVLILDQENRANVGG
QAFWSFGGLFLVNSPEQRRLGIRDSHELALQDWLGTAAFDRPEDYWPEQWAHAYVDFAAG
EKRSWLRARGLKIFPLVGWAERGGYDAQGHGNSVPRFHITWGTGPALVDIFVRQLRDRPT
VRFAHRHQVDKLIVEGNAVTGVRGTVLEPSDEPRGAPSSRKSVGKFEFRASAVIVASGGI
GGNHELVRKNWPRRMGRIPKQLLSGVPAHVDGRMIGIAQKAGAAVINPDRMWHYTEGITN
YDPIWPRHGIRIIPGPSSLWLDAAGKRLPVPLFPGFDTLGTLEYITKSGHDYTWFVLNAK
IIEKEFALSGQEQNPDLTGRRLGQLLRSRAHAGPPGPVQAFIDRGVDCVHANSLRELVAA
MNELPDVVPLDYETVAAAVTARDREVVNKYSKDGQITAIRAARRYRGDRFGRVVAPHRLT
DPKAGPLIAVKLHILTRKTLGGIETDLDARVLKADGTPLAGLYAAGEVAGFGGGGVHGYR
ALEGTFLGGCIFSGRAAGRGAAEDIR

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MALTCTDMSDAVAGSDAEGLTADAIVVGAGLAGLVAACELADRGLRVLILDQENRANVGGQAFWSFGGLFLVNSPEQRRLGIRDSHELALQDWLGTAAFDRPEDYWPEQWAHAYVDFAAGEKRSWLRARGLKIFPLVGWAERGGYDAQGHGNSVPRFHITWGTGPALVDIFVRQLRDRPTVRFAHRHQVDKLIVEGNAVTGVRGTVLEPSDEPRGAPSSRKSVGKFEFRASAVIVASGGIGGNHELVRKNWPRRMGRIPKQLLSGVPAHVDGRMIGIAQKAGAAVINPDRMWHYTEGITNYDPIWPRHGIRIIPGPSSLWLDAAGKRLPVPLFPGFDTLGTLEYITKSGHDYTWFVLNAKIIEKEFALSGQEQNPDLTGRRLGQLLRSRAHAGPPGPVQAFIDRGVDCVHANSLRELVAAMNELPDVVPLDYETVAAAVTARDREVVNKYSKDGQITAIRAARRYRGDRFGRVVAPHRLTDPKAGPLIAVKLHILTRKTLGGIETDLDARVLKADGTPLAGLYAAGEVAGFGGGGVHGYRALEGTFLGGCIFSGRAAGRGAAEDIR
Prediction	CCCCCCCCCCCCCCCCCCCEEEEEEEHCCCHHHHHHHHHHHHHCCCEEEEHCCCCCCCCCHHHHCCCCEEHCCCHHHHHHCCCCCHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCEEEHCCEEEEEEEHCCEEEEEEEEEHCCCCCEEEEEEEHCCCEEEEEHCCEEEEHCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCEHCCCEHCCCCCCCCCCHHHEHCCCCEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCEEEEEHCHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCHHHHHHHHCCEEEHCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEEEEEHCCCCCEEHCCCCEEHCCCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHC
Conf.Score	99887777888888887646677999889899999999999989989999889988888744444677575899999998999999999999999858898877755999999998765779999999899666555555677766677888888777788886899999999999979988985784568898799899999999668887678888866875999995859997789876989999979665588876677788999884999999999995468544355665456899888765344436898799879998667999998569999999998799869999689999987556777788877876567777666556776568999998984898589999999998877765999999999999999999878888877776666656788777999999888888888789999987765567785878997587799986799568654346888899998888865567788999999999999969
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MALTCTDMSDAVAGSDAEGLTADAIVVGAGLAGLVAACELADRGLRVLILDQENRANVGGQAFWSFGGLFLVNSPEQRRLGIRDSHELALQDWLGTAAFDRPEDYWPEQWAHAYVDFAAGEKRSWLRARGLKIFPLVGWAERGGYDAQGHGNSVPRFHITWGTGPALVDIFVRQLRDRPTVRFAHRHQVDKLIVEGNAVTGVRGTVLEPSDEPRGAPSSRKSVGKFEFRASAVIVASGGIGGNHELVRKNWPRRMGRIPKQLLSGVPAHVDGRMIGIAQKAGAAVINPDRMWHYTEGITNYDPIWPRHGIRIIPGPSSLWLDAAGKRLPVPLFPGFDTLGTLEYITKSGHDYTWFVLNAKIIEKEFALSGQEQNPDLTGRRLGQLLRSRAHAGPPGPVQAFIDRGVDCVHANSLRELVAAMNELPDVVPLDYETVAAAVTARDREVVNKYSKDGQITAIRAARRYRGDRFGRVVAPHRLTDPKAGPLIAVKLHILTRKTLGGIETDLDARVLKADGTPLAGLYAAGEVAGFGGGGVHGYRALEGTFLGGCIFSGRAAGRGAAEDIR
Prediction	60311352354355655341300000000100000000100534030000010432321010000000000010410362415112420020003103122234102420030002300520130036222401200211221212131111001000101010010031005103734303012402033003453100002021226444321120345543312020300000000002023002401231023023201120111000100300230031001002000000000014121010000001131010125643310000000100000021016354200000001301442211122220120232201200323224214210330042002001020003005202211741413162034004401420143105104133122044121220012122220141540000000000000000000100550101256442020000000000000001000100000000000000010022006418
	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                 540                 560

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

Sec.Str
Seq

CCCCCCCCCCCCCCCCCCCEEEEEEEHCCCHHHHHHHHHHHHHCCCEEEEHCCCCCCCCCHHHHCCCCEEHCCCHHHHHHCCCCCHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHCHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHCCCEEEHCCEEEEEEEHCCEEEEEEEEEHCCCCCEEEEEEEHCCCEEEEEHCCEEEEHCCCCCCCHHHHHHHCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCEHCCCEHCCCCCCCCCCHHHEHCCCCEEEHCCCCCCCCCCCCCCCHHHHHHHHHHHCCCCEEEEEHCHHHHHHHHCCCCCCCCCCCCCCCHHHHHHHHHCCCCCCHHHHHHHHCCEEEHCCCHHHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCEEEEEEEEEEHCCCCCEEHCCCCEEHCCCCCCCCCCEEEEHCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHC
MALTCTDMSDAVAGSDAEGLTADAIVVGAGLAGLVAACELADRGLRVLILDQENRANVGGQAFWSFGGLFLVNSPEQRRLGIRDSHELALQDWLGTAAFDRPEDYWPEQWAHAYVDFAAGEKRSWLRARGLKIFPLVGWAERGGYDAQGHGNSVPRFHITWGTGPALVDIFVRQLRDRPTVRFAHRHQVDKLIVEGNAVTGVRGTVLEPSDEPRGAPSSRKSVGKFEFRASAVIVASGGIGGNHELVRKNWPRRMGRIPKQLLSGVPAHVDGRMIGIAQKAGAAVINPDRMWHYTEGITNYDPIWPRHGIRIIPGPSSLWLDAAGKRLPVPLFPGFDTLGTLEYITKSGHDYTWFVLNAKIIEKEFALSGQEQNPDLTGRRLGQLLRSRAHAGPPGPVQAFIDRGVDCVHANSLRELVAAMNELPDVVPLDYETVAAAVTARDREVVNKYSKDGQITAIRAARRYRGDRFGRVVAPHRLTDPKAGPLIAVKLHILTRKTLGGIETDLDARVLKADGTPLAGLYAAGEVAGFGGGGVHGYRALEGTFLGGCIFSGRAAGRGAAEDIR

4c3xA

0.21

0.18

0.84

2.69

MUSTER

----------------DWTSECDVLVVGSGGGALTGAYTAAAQGLTTIVLEKTDR--FGGTSAYSGASIWLPGTQVQERAGLPDSTENARTYLRALLGDAE------SERQDAYVET-APAVVALLEQNNIEFEFRAFPDYYKAEGRMDTGRSRPELDQPMIGGRALIGRLLAAVQSTGKAELRTESVLTSLIVEDGRVVGAEVES---------------GETQRIKANRGVLMAAGGIEGNAEMREQAGTPGKA----IWSMGPFGANTGDAISAGIAVGGATALLDQAWFCPGVEQPDGS-----AAFMVGVRGGLVVDSAGERYLNESLPYDQFGRAMDAHDDGSAVPSFMIFDSREGGGLPAIC-----------------------IPNTAPAKHLEAGT-WVGADTLEELAAKTG-------LPADALRSTVEKFNDAAKLGVDEEFHRGEDPYDAFFCPPN---GGANAALTAIENGPFYAARIVLSDLGTKGGLVTDVNGRVLRADGSAIDGLYAAGNTSASLSGRFYPG---PGVPLGTAMVFSYRAAQDMAK---

4c3xA

0.21

0.17

0.84

4.01

dPPAS

----------------DWTSECDVLVVGSGGGALTGAYTAAAQGLTTIVLEK--TDRFGGTSAYSGASIWLPGTQVQERAGLPDSTENARTYLRALLGDAE------SERQDAYVET-APAVVALLEQNPNIEFEFRAFPDYYKAEGRMDTTGQDHAPGPMIGGRALIGRLLAAVQSTGKAELRTESVLTSLIVEDGRVVGAEVESG--------------GETQRIKANRGVLMAAGGIEGNAEMREQAGTPGKA----IWSMGPFGANTGDAISAGIAVGGATALLDQAWFCPGVEQPDGSAAF-----MVGVRGGLVVDSAGERYLNESLPYDQFGRAMDAHDDNGSAPSFMIFDS-------REGGGLPAICIPNTAPAKHLEAG-----------------TWVGADTLEELAAKTG-------LPADALRSTVEKFNDAAKLGVDEEFHRGEDPYDAFFCPPN---GGANAALTAIENGPFYAARIVLSDLGTKGGLVTDVNGRVLRADGSAIDGLYAAGNTSASLSGRFYPG---PGVPLGTAMVFSYRAAQDMAK---

4c3xA

0.21

0.17

0.84

5.16

wdPPAS

----------------DWTSECDVLVVGSGGGALTGAYTAAAQGLTTIVLEK--TDRFGGTSAYSGASIWLPGTQVQERAGLPDSTENARTYLRALLGDA------ESERQDAYVET-APAVVALLEQNNIEFEFRAFPDYYKAEGRMDTGRSQDHAPGPMIGGRALIGRLLAAVQSTGKAELRTESVLTSLIVEDGRVVGAEVESG--------------GETQRIKANRGVLMAAGGIEGNAEMREQAGTPGKA----IWSMGPFGANTGDAISAGIAVGGATALLDQAWFCPGVEQPDGSAA-----FMVGVRGGLVVDSAGERYLNESLPYDQFGRAMDAHDDNGSAPSFMIFDSREGGGLPAICIPNTA-----------------------PAKHLEAGT-WVGADTLEELAAKTG-------LPADALRSTVEKFNDAAKLGVDEEFHRGEDPYDAFFCPPN---GGANAALTAIENGPFYAARIVLSDLGTKGGLVTDVNGRVLRADGSAIDGLYAAGNTSASLSGRFYPG---PGVPLGTAMVFSYRAAQDMAK---

4c3xA

0.22

0.18

0.84

3.38

wMUSTER

-----------------WTSECDVLVVGSGGGALTGAYTAAAQGLTTIVLEKTD--RFGGTSAYSGASIWLPGTQVQERAGLPDSTENARTYLRALLG-DAE-----SERQDAYVET-APAVVALLEQNNIEFFPDYYKAEGRMDTGRSAGKVRPELDQPMIGGRALIGRLLAAVQSTGKAELRTESVLTSLIVEDGRVVGAEVES---------------GETQRIKANRGVLMAAGGIEGNAEMREQAGTPGKA----IWSMGPFGANTGDAISAGIAVGGATALLDQAWFCPGVEQPDGS-----AAFMVGVRGGLVVDSAGERYLNESLPYDQFGRAMDAHDDGSAVPSFMIFDSREGGGLPAIC-----------------------IPNTAPAKHLEAGT-WVGADTLEELAAKTG-------LPADALRSTVEKFNDAAKLGVDEEFHRGEDPYDAFFCPPN---GGANAALTAIENGPFYAARIVLSDLGTKGGLVTDVNGRVLRADGSAIDGLYAAGNTS----ASLSGRFYPGGVPLGTAMVFSYRAAQDMAK---

4c3xA

0.22

0.18

0.84

4.87

wPPAS

----------------DWTSECDVLVVGSGGGALTGAYTAAAQGLTTIVLEK--TDRFGGTSAYSGASIWLPGTQVQERAGLPDSTENARTYLRALLG-DAE-----SERQDAYVET-APAVVALLEQNNIEFEFRAFYKAEGRMDTGRSGKVRPELDQPMIGGRALIGRLLAAVQSTGKAELRTESVLTSLIVEDGRVVGAEVESG--------------GETQRIKANRGVLMAAGGIEGNAEMREQAGTPGKA----IWSMGPFGANTGDAISAGIAVGGATALLDQAWFCPGVEQPDGSAA-----FMVGVRGGLVVDSAGERYLNESLPYDQFGRAMDAHDDNGSAPSFMIFDSREGGGLPAI-----------------------CIPNTAPAKHLEAGT-WVGADTLEELAAKTG-------LPADALRSTVEKFNDAAKLGVDEEFHRGEDPYDAFFCPP---NGGANAALTAIENGPFYAARIVLSDLGTKGGLVTDVNGRVLRADGSAIDGLYAAGNTS----ASLSGRFYPGGVPLGTAMVFSYRAAQDMAK---

4c3xA

0.21

0.17

0.84

6.90

dPPAS2

----------------DWTSECDVLVVGSGGGALTGAYTAAAQGLTTIVLEK--TDRFGGTSAYSGASIWLPGTQVQERAGLPDSTENARTYLRALLGDAE------SERQDAYVET-APAVVALLEQNPNIEFEFRAFPDYYKAEGRMDTTGQDHAPGPMIGGRALIGRLLAAVQSTGKAELRTESVLTSLIVEDGRVVGAEVESG--------------GETQRIKANRGVLMAAGGIEGNAEMREQAGTPGKA----IWSMGPFGANTGDAISAGIAVGGATALLDQAWFCPGVEQPDGSAAF-----MVGVRGGLVVDSAGERYLNESLPYDQFGRAMDAHDDNGSAPSFMIFDSREGGGLPAICIPNTA-----------------------PAKHLEAGT-WVGADTLEELAAKTG-------LPADALRSTVEKFNDAAKLGVDEEFHRGEDPYDAFFCPPN---GGANAALTAIENGPFYAARIVLSDLGTKGGLVTDVNGRVLRADGSAIDGLYAAGNTSASLSGRFYPG---PGVPLGTAMVFSYRAAQDMAK---

4c3xA

0.21

0.18

0.84

4.70

PPAS

----------------DWTSECDVLVVGSGGGALTGAYTAAAQGLTTIVLEKT--DRFGGTSAYSGASIWLPGTQVQERAGLPDSTENARTYLRALLGDAE------SERQDAYVET-APAVVALLEQNPNIEFEFRAFPAEGRMDTGRSINPLDHAPGPMIGGRALIGRLLAAVQSTGKAELRTESVLTSLIVEDGRVVGAEVESG--------------GETQRIKANRGVLMAAGGIEGNAEMREQAGTPGKA----IWSMGPFGANTGDAISAGIAVGGATALLDQAWFCPGVEQPDGSAA-----FMVGVRGGLVVDSAGERYLNESLPYDQFGRAMDAHDDNSAVPSFMIFDSREGGGLPAICIPNTA-----------------------PAKHLEAGT-WVGADTLEELAAKTG-------LPADALRSTVEKFNDAAKLGVDEEFHRGEDPYDAFFCPPNGG---ANAALTAIENGPFYAARIVLSDLGTKGGLVTDVNGRVLRADGSAIDGLYAAGNTS----ASLSGRFYPGGVPLGTAMVFSYRAAQDMAK---

4c3xA

0.21

0.18

0.84

5.92

Env-PPAS

----------------DWTSECDVLVVGSGGGALTGAYTAAAQGLTTIVLEKTDR--FGGTSAYSGASIWLPGTQVQERAGLPDSTENARTYLRALLGD------AESERQDAYVET-APAVVALLEQNPNEFRAFPDYYKAEGRMDTGAGKVRPELDQPMIGGRALIGRLLAAVQSTGKAELRTESVLTSLIVEDGRVVGAEVESG--------------GETQRIKANRGVLMAAGGIEGNAEMREQAGTPGKA----IWSMGPFGANTGDAISAGIAVGGATALLDQAWFCPGVEQPDGSAA-----FMVGVRGGLVVDSAGERYLNESLPYDQFGRAMDAHDNGSAVPSFMIFDSREGGGLPAICIPNTA-----------------------PAKHLEAGT-WVGADTLEELAAKTG-------LPADALRSTVEKFNDAAKLGVDEEFHRGEDPYDAFFCPPNGGANAA---LTAIENGPFYAARIVLSDLGTKGGLVTDVNGRVLRADGSAIDGLYAAGNTS----ASLSGRFYPGGVPLGTAMVFSYRAAQDMAK---

4at0A

0.22

0.18

0.81

2.47

MUSTER

------IRPRSATTVTEWDYEADVVVAGYGIAGVAASIEAARAGADVLVLERTSG--WGGATALAGGFIYLGGTPLQKACGFDDSPENMKTFMMAALGPGAD-----EEKITDYCEG-SVEHYNWLVDCGVPFKESGWEPPFDDGLMYSGGENAPRGHVPQGGGYMLMKPLVETAEKLG-VRAEYDMRVQTLVTDD-------------TGRVVGIVAKQYGKEVAVRARRGVVLATGSFAYNDKMIEAHAPRLIG-----RPGAAIEEHDGRSILMAQALGADLAHMDATEVAFVCDPQ--------LIV-----RGILVNGRGQRYVPEDTYSGRIGQMTLFHQDNQ---AFLIIDEASYEEGAAATTATPFLRVQPK----------------------------WAAETVEELESDMG-------LPAGALQSTVEVYNKHAAEGSDPLLHK------------------KSEWVKPI-GTPVAALDLRFTLGFTLGGLRTTVNSEVLHVSGEPIPGLFAAGRCT----SGVCAGGYASGTSLGDGSFYGRRAGISAAKQ--

4at0A

0.21

0.17

0.81

3.46

dPPAS

------IRPRSATTVTEWDYEADVVVAGYGIAGVAASIEAARAGADVLVLER--TSGWGGATALAGGFIYLGGTPLQKACGFDDSPENMKTFMMAALGPGAD-----EEKITDYCEG-SVEHYNWLVDCGVPFKESFWGEPGWEPPFDDGAAPAPRGHVPQMDGYMLMKPLVETAEKL-GVRAEYDMRVQTLVTDD-------------TGRVVGIVAKQYGKEVAVRARRGVVLATGSFAYNDKMIEAHAPRLIG-----RPGAAIEEHDGRSILMAQALGADLAHMDATEVAFV----------CDPQLIVRG---ILVNGRGQRYVPEDTY---SGRIGQMTLFHQDNQAFLIIDEASYEEGAAATTAT----------------------------PFLRVQPKWAAET-------VEELESDMGLPAGALQSTVEVYNKHAAEGSDPLLHK------------------KSEWVKPIGTPVAALDLRGFTLGFTLGGLRTTVNSEVLHVSGEPIPGLFAAGRCT----SGVCAGGYASGTSLGDGSFYGRRAGISAAKQ--

(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=0.36

Estimated TM-score = 0.76±0.10

Estimated RMSD = 6.8±4.0Å

Download Model 2

C-score=-0.12

Download Model 3

C-score=-1.83

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	4c3xA	0.821	1.53	0.207	0.845
2	4at0A	0.698	3.60	0.197	0.806
3	1qo8A	0.698	3.79	0.193	0.806
4	1d4cA	0.672	4.34	0.188	0.800
5	1q9iA	0.671	4.31	0.195	0.799
6	1zoyA	0.606	4.04	0.156	0.703
7	2wdrA	0.600	4.08	0.170	0.703
8	2bs3A	0.594	3.80	0.165	0.685
9	1knrA	0.588	3.71	0.196	0.673
10	1l0vA	0.586	3.95	0.171	0.680

(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	0.52	77	1jrxA	FAD	Rep, Mult	27,28,29,30,31,32,51,52,53,59,60,61,62,64,65,66,68,187,188,189,236,237,238,264,265,266,273,497,498,526,527,537,544,545,546,547,550
2	0.12	14	2wp9A	NA	Rep, Mult	498,499,500,501,526,527,528,529,530
3	0.07	11	4c3yB	ANB	Rep, Mult	68,139,311,335,370,537,543,544
4	0.01	1	5kxjA	ASP	Rep, Mult	32,526,527,546,547,550

	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	0.099	1qo8A	0.698	3.79	0.193	0.806	1.3.99.1	187,273
2	0.090	1e39A	0.672	4.30	0.195	0.799	1.3.99.1	387
3	0.090	1lj1A	0.671	4.32	0.195	0.799	1.3.99.1	59
4	0.089	1d4cA	0.672	4.34	0.188	0.800	1.3.99.1	187,203
5	0.067	2e5vB	0.569	3.39	0.164	0.643	1.4.3.16	67,527
6	0.060	2e5vA	0.569	3.39	0.164	0.643	1.4.3.16	NA
7	0.060	1fohC	0.409	5.23	0.116	0.512	1.14.13.7	523
8	0.060	3cp8A	0.454	5.45	0.112	0.578	1.-.-.-	NA
9	0.060	3cn8B	0.422	5.76	0.088	0.556	1.5.3.17	28,55,58,60
10	0.060	2gmhA	0.444	5.19	0.159	0.560	1.5.5.1	28,30,32,56,65,238
11	0.060	1knpA	0.589	3.70	0.196	0.673	1.4.3.16	NA
12	0.060	2jbvB	0.482	5.48	0.101	0.618	1.1.3.17	NA
13	0.060	1nekA	0.593	4.08	0.180	0.696	1.3.99.1,	NA
14	0.060	1vrqB	0.407	4.73	0.125	0.495	1.5.3.1	542
15	0.060	1x31B	0.409	4.66	0.129	0.496	1.5.3.1	60
16	0.060	1kdgB	0.476	5.78	0.125	0.618	1.1.99.18,	NA
17	0.060	2gmjA	0.443	5.20	0.165	0.560	1.5.5.1	NA
18	0.060	1gpeB	0.471	5.77	0.078	0.613	1.1.3.4	28,31,526,546
19	0.060	1jnrA	0.565	5.12	0.125	0.710	1.8.99.2	NA
20	0.060	1qo8D	0.702	3.75	0.192	0.809	1.3.99.1	65,67,527,544
21	0.060	1b37B	0.411	5.62	0.117	0.534	1.5.3.15,1.5.3.14	NA
22	0.060	1e7pA	0.589	4.00	0.165	0.685	1.3.99.1	NA
23	0.060	2yr4A	0.428	5.92	0.058	0.571	1.13.12.9	28,65,291,547
24	0.060	3cirM	0.531	3.35	0.192	0.599	1.3.99.1	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	0.40	0.821	1.53	0.21	0.84	4c3xA	GO:0000166 GO:0016491 GO:0055114
1	0.37	0.698	3.60	0.20	0.81	4at0A	GO:0000166 GO:0016491 GO:0055114
2	0.28	0.698	3.79	0.19	0.81	1qo8A	GO:0000104 GO:0016491 GO:0042597 GO:0046872 GO:0055114
3	0.26	0.672	4.34	0.19	0.80	1d4cA	GO:0000104 GO:0006099 GO:0009061 GO:0016491 GO:0042597 GO:0046872 GO:0055114
4	0.24	0.670	4.32	0.19	0.80	2b7rA	GO:0000104 GO:0009055 GO:0009061 GO:0016491 GO:0019645 GO:0030288 GO:0042597 GO:0046872 GO:0055114
5	0.19	0.603	4.10	0.16	0.70	5c2tA	GO:0005743 GO:0006099 GO:0008177 GO:0016020 GO:0016491 GO:0016627 GO:0022900 GO:0050660 GO:0055114
6	0.12	0.474	4.34	0.15	0.56	2i0zA	GO:0000166 GO:0016491 GO:0055114
7	0.10	0.378	4.50	0.15	0.45	2q7vA	GO:0000166 GO:0004791 GO:0005737 GO:0016491 GO:0019430 GO:0055114
8	0.06	0.448	5.35	0.13	0.57	3nlcA	GO:0000166 GO:0016491 GO:0055114
9	0.06	0.402	5.55	0.11	0.52	3rhaA	GO:0016491 GO:0050232 GO:0055114
10	0.06	0.409	4.91	0.09	0.51	2x3nA	GO:0000166 GO:0004497 GO:0016491 GO:0044550 GO:0055114 GO:0071949
11	0.06	0.415	4.95	0.16	0.51	3oz2A	GO:0005886 GO:0006629 GO:0006650 GO:0008654 GO:0016020 GO:0016491 GO:0016628 GO:0045550 GO:0046467 GO:0050660 GO:0050661 GO:0051287 GO:0055114 GO:0071949
12	0.06	0.403	5.11	0.11	0.50	4wctA	GO:0016491 GO:0055114
13	0.06	0.407	5.58	0.10	0.52	2vvmA	GO:0005777 GO:0016491 GO:0055114
14	0.06	0.399	5.52	0.11	0.51	3kveA	GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0046872 GO:0055114
15	0.06	0.400	5.63	0.12	0.51	1reoA	GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0055114
16	0.06	0.396	5.49	0.12	0.51	4a79A	GO:0005739 GO:0005740 GO:0005741 GO:0005743 GO:0008131 GO:0009055 GO:0009636 GO:0010044 GO:0010269 GO:0014063 GO:0016020 GO:0016021 GO:0016491 GO:0021762 GO:0032496 GO:0042420 GO:0042493 GO:0042803 GO:0045471 GO:0045964 GO:0048545 GO:0050660 GO:0050665 GO:0051412 GO:0055114 GO:0070062
17	0.06	0.400	5.60	0.12	0.51	1f8rA	GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0055114
18	0.06	0.394	5.56	0.11	0.50	4e0vB	GO:0001716 GO:0005576 GO:0006915 GO:0016491 GO:0019835 GO:0042742 GO:0044179 GO:0055114

Consensus prediction of GO terms

Molecular Function	GO:0000166	GO:0000104	GO:0046872
GO-Score	0.62	0.59	0.59
Biological Processes	GO:0009060	GO:0006082	GO:0022904	GO:0044238	GO:0009061
GO-Score	0.51	0.51	0.48	0.44	0.43
Cellular Component	GO:0042597	GO:0030313
GO-Score	0.59	0.48

(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.