I-TASSER results

I-TASSER results for job id Rv1354c

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

Input Sequence in FASTA format

>protein (623 residues)
MCNDTATPQLEELVTTVANQLMTVDAATSAEVSQRVLAYLVEQLGVDVSFLRHNDRDRRA
TRLVAEWPPRLNIPDPDPLRLIYFADADPVFALCEHAKEPLVFRPEPATEDYQRLIEEAR
GVPVTSAAAVPLVSGEITTGLLGFIKFGDRKWHEAELNALMTIATLFAQVQARVAAEARL
RYLADHDDLTGLHNRRALLQHLDQRLAPGQPGPVAALFLDLDRLKAINDYLGHAAGDQFI
HVFAQRIGDALVGESLIARLGGDEFVLIPASPMSADAAQPLAERLRDQLKDHVAIGGEVL
TRTVSIGVASGTPGQHTPSDLLRRADQAALAAKHAGGDSVAIFTADMSVSGELRNDIELH
LRRGIESDALRLVYLPEVDLRTGDIVGTEALVRWQHPTRGLLAPGCFIPVAESINLAGEL
DRWVLRRACNEFSEWQSAGLGHDALLRINVSAGQLVTGGFVDFVADTIGQHGLDASSVCL
EITENVVVQDLHTARATLARLKEVGVHIAIDDFGTGYSAISLLQTLPIDTLKIDKTFVRQ
LGTNTSDLVIVRGIMTLAEGFQLDVVAEGVETEAAARILLDQRCYRAQGFLFSRPVPGEA
MRHMLSARRLPPTCIPATDPALS

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MCNDTATPQLEELVTTVANQLMTVDAATSAEVSQRVLAYLVEQLGVDVSFLRHNDRDRRATRLVAEWPPRLNIPDPDPLRLIYFADADPVFALCEHAKEPLVFRPEPATEDYQRLIEEARGVPVTSAAAVPLVSGEITTGLLGFIKFGDRKWHEAELNALMTIATLFAQVQARVAAEARLRYLADHDDLTGLHNRRALLQHLDQRLAPGQPGPVAALFLDLDRLKAINDYLGHAAGDQFIHVFAQRIGDALVGESLIARLGGDEFVLIPASPMSADAAQPLAERLRDQLKDHVAIGGEVLTRTVSIGVASGTPGQHTPSDLLRRADQAALAAKHAGGDSVAIFTADMSVSGELRNDIELHLRRGIESDALRLVYLPEVDLRTGDIVGTEALVRWQHPTRGLLAPGCFIPVAESINLAGELDRWVLRRACNEFSEWQSAGLGHDALLRINVSAGQLVTGGFVDFVADTIGQHGLDASSVCLEITENVVVQDLHTARATLARLKEVGVHIAIDDFGTGYSAISLLQTLPIDTLKIDKTFVRQLGTNTSDLVIVRGIMTLAEGFQLDVVAEGVETEAAARILLDQRCYRAQGFLFSRPVPGEAMRHMLSARRLPPTCIPATDPALS
Prediction	CCCHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCEEEEHCCCCEEEEHCCCCEEEHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCEEEEEEEEEHCCCCCCEHCCCCCEEEEEEEEEHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHCCCEEEEEEHCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCEEEEHCCCEEEEEHCCCCCHHHHHHHHHHHHHHHHCCEEHCCEEEEEEEEEEEEHCCCCCCCHHHHHHHHHHHHHHHHHHCCCCEEHCCHHHHHHHHHHHHHHHHHHHHHHHCCEEEEEEEEEHCCCCCEEEEEEEEHCCCCCCCCCCHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCEEEEHCCHHHHHCCCHHHHHHHHHHHHCCCHHHEEEEHHHHHHHHCHHHHHHHHHHHHHHCCEEEEHCCCCCCCCHHHHHHCCCCEEEEEHHHHCCCCCCCCHHHHHHHHHHHHHHHCCEEEEEHCCCHHHHHHHHHHCCCEEEEEHCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCC
Conf.Score	98657889999999999999985555657899999999999998556999999999999999999967888875555565799985887588875875344457654445578888776655589999999998977877899986788764554589668999987448999999999999987567889857999999999999998799799999976788754454787899999999999999967998868875897799996899999999999999999998878989989999855589986899999999999999999999998999699869999999999999999999999989969999778987899799999998645888899985554455666698478899999999999999999899999789998478886589899999999999899966735654577888679999999999999899899975899876678877589987776445546788997679999999999999899799986687999999999999867654357999999999999989988887887888889
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MCNDTATPQLEELVTTVANQLMTVDAATSAEVSQRVLAYLVEQLGVDVSFLRHNDRDRRATRLVAEWPPRLNIPDPDPLRLIYFADADPVFALCEHAKEPLVFRPEPATEDYQRLIEEARGVPVTSAAAVPLVSGEITTGLLGFIKFGDRKWHEAELNALMTIATLFAQVQARVAAEARLRYLADHDDLTGLHNRRALLQHLDQRLAPGQPGPVAALFLDLDRLKAINDYLGHAAGDQFIHVFAQRIGDALVGESLIARLGGDEFVLIPASPMSADAAQPLAERLRDQLKDHVAIGGEVLTRTVSIGVASGTPGQHTPSDLLRRADQAALAAKHAGGDSVAIFTADMSVSGELRNDIELHLRRGIESDALRLVYLPEVDLRTGDIVGTEALVRWQHPTRGLLAPGCFIPVAESINLAGELDRWVLRRACNEFSEWQSAGLGHDALLRINVSAGQLVTGGFVDFVADTIGQHGLDASSVCLEITENVVVQDLHTARATLARLKEVGVHIAIDDFGTGYSAISLLQTLPIDTLKIDKTFVRQLGTNTSDLVIVRGIMTLAEGFQLDVVAEGVETEAAARILLDQRCYRAQGFLFSRPVPGEAMRHMLSARRLPPTCIPATDPALS
Prediction	64466235303400330032013143342440034003300430320002023334433034104412430220132010001001011002101312321112343225403400440342202100010034441120001112214230343232201000000000130340152032001000012400130033004300440572100000000120120020110302230121004002610263000000422000000120632610230042015003300405612010000000000042262033003201300010165031011012550252044024103330400354002001101000432200000050353114200001341400001010413042000310030034327442426010000000200435501520350065160315200000000000420440151043027120100022120200000101301023025110102204626502000200020043060400034021520141036223410000000010217201400563412132333552448
	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                 580                 600                 620

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

Sec.Str
Seq

CCCHHHHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHHCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCEEEEHCCCCEEEEHCCCCEEEHCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHCCEEEEEEEEEHCCCCCCEHCCCCCEEEEEEEEEHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHHHHHCCCEEEEEEHCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHCCCCCEEEEHCCCEEEEEHCCCCCHHHHHHHHHHHHHHHHCCEEHCCEEEEEEEEEEEEHCCCCCCCHHHHHHHHHHHHHHHHHHCCCCEEHCCHHHHHHHHHHHHHHHHHHHHHHHCCEEEEEEEEEHCCCCCEEEEEEEEHCCCCCCCCCCHHHHHHHHHHHCCHHHHHHHHHHHHHHHHHHHHHHCCCCCCEEEEHCCHHHHHCCCHHHHHHHHHHHHCCCHHHEEEEHHHHHHHHCHHHHHHHHHHHHHHCCEEEEHCCCCCCCCHHHHHHCCCCEEEEEHHHHCCCCCCCCHHHHHHHHHHHHHHHCCEEEEEHCCCHHHHHHHHHHCCCEEEEEHCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCC
MCNDTATPQLEELVTTVANQLMTVDAATSAEVSQRVLAYLVEQLGVDVSFLRHNDRDRRATRLVAEWPPRLNIPDPDPLRLIYFADADPVFALCEHAKEPLVFRPEPATEDYQRLIEEARGVPVTSAAAVPLVSGEITTGLLGFIKFGDRKWHEAELNALMTIATLFAQVQARVAAEARLRYLADHDDLTGLHNRRALLQHLDQRLAPGQPGPVAALFLDLDRLKAINDYLGHAAGDQFIHVFAQRIGDALVGESLIARLGGDEFVLIPASPMSADAAQPLAERLRDQLKDHVAIGGEVLTRTVSIGVASGTPGQHTPSDLLRRADQAALAAKHAGGDSVAIFTADMSVSGELRNDIELHLRRGIESDALRLVYLPEVDLRTGDIVGTEALVRWQHPTRGLLAPGCFIPVAESINLAGELDRWVLRRACNEFSEWQSAGLGHDALLRINVSAGQLVTGGFVDFVADTIGQHGLDASSVCLEITENVVVQDLHTARATLARLKEVGVHIAIDDFGTGYSAISLLQTLPIDTLKIDKTFVRQLGTNTSDLVIVRGIMTLAEGFQLDVVAEGVETEAAARILLDQRCYRAQGFLFSRPVPGEAMRHMLSARRLPPTCIPATDPALS

4rnfA

0.36

0.24

0.67

4.16

MUSTER

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAYYDALTHLPNRTLFQDRLHTALQQAERQWVVLMFLDLD-----NDSLGHAAGDRMLQEVATRLSACVSQDDTVARMGGDEFTLLLPSQGDLKRAIQVAELILGRLARPFTLEGREFFVTASIGVALSPQDGAELSLLMKNADTAMYHAKEMGKNNFQFYQAEMNARALERLELESDLRRALELGEFVLHYQPQFTGDGRRLTGAEALLRWQHPRRGLVPPSEFIPVLEEIGLVAQVGDWLLAEACKQLRSWHKAKVR-VPKVSVNLSARQFADGQLGERIAAILYETGIPPACLELELTESILMSDVAEAMQILSGLKRLGLAIAVNNFGTGYSSLNYLKQFPIDVLKIDRSFVDGLPHGEQDAQIARAIIAMAHSLNLMVIAEGVESQAQLDFLREHGCDEVQGYLFGRPMPAEQFGMLYAS----------------

4rnfA

0.36

0.24

0.67

4.92

dPPAS

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAYYDALTHLPNRTLFQDRLHTALQQAERNGVVLMFLDLD-----NDSLGHAAGDRMLQEVATRLSACVSQDDTVARMGGDEFTLLLPSQGDLKRAIQVAELILGRLARPFTLEGREFFVTASIGVALSPQDGAELSLLMKNADTAMYHAKEMGKNNFQFYQAEMNARALERLELESDLRRALELGEFVLHYQPQFTGDGRRLTGAEALLRWQHPRRGLVPPSEFIPVLEEIGLVAQVGDWLLAEACKQLRSWHKAKVR-VPKVSVNLSARQFADGQLGERIAAILYETGIPPACLELELTESILMSDVAEAMQILSGLKRLGLAIAVNNFGTGYSSLNYLKQFPIDVLKIDRSFVDGLPHGEQDAQIARAIIAMAHSLNLMVIAEGVESQAQLDFLREHGCDEVQGYLFGRPMPAEQFGMLYAS----------------

4rnfA

0.36

0.24

0.67

7.33

wdPPAS

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAYYDALTHLPNRTLFQDRLHTALQQAERNGVVLMFLDLD-----NDSLGHAAGDRMLQEVATRLSACVSQDDTVARMGGDEFTLLLPSQGDLKRAIQVAELILGRLARPFTLEGREFFVTASIGVALSPQDGAELSLLMKNADTAMYHAKEMGKNNFQFYQAEMNARALERLELESDLRRALELGEFVLHYQPQFTGDGRRLTGAEALLRWQHPRRGLVPPSEFIPVLEEIGLVAQVGDWLLAEACKQLRSWHKAKVR-VPKVSVNLSARQFADGQLGERIAAILYETGIPPACLELELTESILMSDVAEAMQILSGLKRLGLAIAVNNFGTGYSSLNYLKQFPIDVLKIDRSFVDGLPHGEQDAQIARAIIAMAHSLNLMVIAEGVESQAQLDFLREHGCDEVQGYLFGRPMPAEQFGMLYAS----------------

4rnfA

0.36

0.24

0.67

5.08

wMUSTER

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAYYDALTHLPNRTLFQDRLHTALQQAERQWVVLMFLDLD-----NDSLGHAAGDRMLQEVATRLSACVSQDDTVARMGGDEFTLLLPSQGDLKRAIQVAELILGRLARPFTLEGREFFVTASIGVALSPQDGAELSLLMKNADTAMYHAKEMGKNNFQFYQAEMNARALERLELESDLRRALELGEFVLHYQPQFTGDGRRLTGAEALLRWQHPRRGLVPPSEFIPVLEEIGLVAQVGDWLLAEACKQLRSWHKAKVR-VPKVSVNLSARQFADGQLGERIAAILYETGIPPACLELELTESILMSDVAEAMQILSGLKRLGLAIAVNNFGTGYSSLNYLKQFPIDVLKIDRSFVDGLPHGEQDAQIARAIIAMAHSLNLMVIAEGVESQAQLDFLREHGCDEVQGYLFGRPMPAEQFGMLYAS----------------

4rnfA

0.36

0.24

0.67

4.63

wPPAS

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAYYDALTHLPNRTLFQDRLHTALQQAERQWVVLMFLDLD-----NDSLGHAAGDRMLQEVATRLSACVSQDDTVARMGGDEFTLLLPSQGDLKRAIQVAELILGRLARPFTLEGREFFVTASIGVALSPQDGAELSLLMKNADTAMYHAKEMGKNNFQFYQAEMNARALERLELESDLRRALELGEFVLHYQPQFTGDGRRLTGAEALLRWQHPRRGLVPPSEFIPVLEEIGLVAQVGDWLLAEACKQLRSWHKAKVR-VPKVSVNLSARQFADGQLGERIAAILYETGIPPACLELELTESILMSDVAEAMQILSGLKRLGLAIAVNNFGTGYSSLNYLKQFPIDVLKIDRSFVDGLPHGEQDAQIARAIIAMAHSLNLMVIAEGVESQAQLDFLREHGCDEVQGYLFGRPMPAEQFGMLYAS----------------

4rnfA

0.36

0.24

0.67

6.74

dPPAS2

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAYYDALTHLPNRTLFQDRLHTALQQAERNGVVLMFLDLD-----NDSLGHAAGDRMLQEVATRLSACVSQDDTVARMGGDEFTLLLPSQGDLKRAIQVAELILGRLARPFTLEGREFFVTASIGVALSPQDGAELSLLMKNADTAMYHAKEMGKNNFQFYQAEMNARALERLELESDLRRALELGEFVLHYQPQFTGDGRRLTGAEALLRWQHPRRGLVPPSEFIPVLEEIGLVAQVGDWLLAEACKQLRSWHKAKVR-VPKVSVNLSARQFADGQLGERIAAILYETGIPPACLELELTESILMSDVAEAMQILSGLKRLGLAIAVNNFGTGYSSLNYLKQFPIDVLKIDRSFVDGLPHGEQDAQIARAIIAMAHSLNLMVIAEGVESQAQLDFLREHGCDEVQGYLFGRPMPAEQFGMLYAS----------------

4rnfA

0.36

0.24

0.67

4.89

PPAS

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAYYDALTHLPNRTLFQDRLHTALQQAERQWVVLMFLDLD-----NDSLGHAAGDRMLQEVATRLSACVSQDDTVARMGGDEFTLLLPSQGDLKRAIQVAELILGRLARPFTLEGREFFVTASIGVALSPQDGAELSLLMKNADTAMYHAKEMGKNNFQFYQAEMNARALERLELESDLRRALELGEFVLHYQPQFTGDGRRLTGAEALLRWQHPRRGLVPPSEFIPVLEEIGLVAQVGDWLLAEACKQLRSWHKAKVR-VPKVSVNLSARQFADGQLGERIAAILYETGIPPACLELELTESILMSDVAEAMQILSGLKRLGLAIAVNNFGTGYSSLNYLKQFPIDVLKIDRSFVDGLPHGEQDAQIARAIIAMAHSLNLMVIAEGVESQAQLDFLREHGCDEVQGYLFGRPMPAEQFGMLYAS----------------

4rnfA

0.36

0.24

0.67

8.66

Env-PPAS

--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MAYYDALTHLPNRTLFQDRLHTALQQAERQWVVLMFLDLD-----NDSLGHAAGDRMLQEVATRLSACVSQDDTVARMGGDEFTLLLPSQGDLKRAIQVAELILGRLARPFTLEGREFFVTASIGVALSPQDGAELSLLMKNADTAMYHAKEMGKNNFQFYQAEMNARALERLELESDLRRALELGEFVLHYQPQFTGDGRRLTGAEALLRWQHPRRGLVPPSEFIPVLEEIGLVAQVGDWLLAEACKQLRSWHKAKVR-VPKVSVNLSARQFADGQLGERIAAILYETGIPPACLELELTESILMSDVAEAMQILSGLKRLGLAIAVNNFGTGYSSLNYLKQFPIDVLKIDRSFVDGLPHGEQDAQIARAIIAMAHSLNLMVIAEGVESQAQLDFLREHGCDEVQGYLFGRPMPAEQFGMLYAS----------------

3pjwA

0.25

0.17

0.67

3.69

MUSTER

----------------------------------------------------------------------------------------------------------------------------------------------------------------------AALFQEQAERSEKLRTESYQDNLTGLANRRYFEMQLNARVSNEQASSGYLLLLRVKDLAGLNQRLGGQRTDELLKAVGEQLSRECETQNLVTRIRGGEFAVLAPGM-TREEALQLAQSLDSALSSLYATGATDVAAVASIGLAPFA-HGDSPQAVLSLGDQALAQAEGQGEQNWACLDGDD------HHAWHRLLDQALNQRRFELFFQPVVAAQDTLVLHYKVLSRLLDEQGQTIPAGRFLPWLERFGWTARLDRLMLERVLEQMAGH-------EESLALNLSSATLADPQALNKVFEILRAHSNLGARLTLEIGEEQLP-EQAVLEQLTRRLRELGFSLSLQRFGGRFSMIGNLARLGLAYLKIDGSYIRAIDQESDKRLFIEAIQRAAHSIDLPLIAERVETEGELSVIREMGLYGVQGQLFGEPKPWG------------------------

3pjwA

0.24

0.16

0.67

3.90

dPPAS

----------------------------------------------------------------------------------------------------------------------------------------------------------------------AALFQEQAERSEKLRTESYQDNLTGLANRRYFEMQLNARVSNPEQSSGYLLLLRVKDLAGLNQRLGGQRTDELLKAVGEQLSRECETQNLVTRIRGGEFAVLAPGM-TREEALQLAQSLDSALSSLYATGATDVAAVASIGLAPFA-HGDSPQAVLSLGDQALAQAEGQGEQNWACLDGDD------HHAWHRLLDQALNQRRFELFFQPVVAAQDTQVLHYKVLSRLLDEQGQTIPAGRFLPWLERFGWTARLDRLMLERVLEQMAGH-------EESLALNLSSATLADPQALNKVFEILRAHSNLGARLTLEIGEEQLP-EQAVLEQLTRRLRELGFSLSLQRFGGRFSMIGNLARLGLAYLKIDGSYIRAIDQESDKRLFIEAIQRAAHSIDLPLIAERVETEGELSVIREMGLYGVQGQLFGEPKPWG------------------------

(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=-2.70

Estimated TM-score = 0.40±0.14

Estimated RMSD = 14.5±3.7Å

Download Model 2

C-score=-3.33

Download Model 3

C-score=-3.23

Download Model 4

C-score=-3.60

Download Model 5

C-score=-3.65

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	4rnfA	0.664	1.06	0.356	0.673
2	3pjwA	0.440	4.60	0.160	0.520
3	3sy8A	0.431	3.81	0.205	0.483
4	1xr2B	0.422	6.87	0.054	0.608
5	4ztxA	0.420	6.99	0.057	0.616
6	3ppcA	0.408	7.06	0.060	0.599
7	1u1uA	0.403	7.02	0.043	0.592
8	2nq5A	0.402	7.05	0.062	0.597
9	4hu3A	0.399	2.58	0.332	0.429
10	3ii8B	0.388	2.20	0.408	0.408

(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	0.34	30	3pjtA	C2E	Rep, Mult	375,389,391,392,393,403,404,405,408,420,421,424,449,511,512,569,571,589,590,595
2	0.21	18	3gg0A	MN	Rep, Mult	389,449,481,511,532
3	0.08	6	3n3tA	MG	Rep, Mult	511,512,534,568
4	0.03	3	2w27B	5GP	Rep, Mult	375,389,391,449,569,570,571,589,590
5	0.03	4	3gfzB	FMN	Rep, Mult	194,239,242,243,246,247,265,267,269,281,285,288,290
6	0.02	3	1lm1A	F3S	Rep, Mult	305,306,307,329,330,331,334
7	0.01	1	3qyyA	MG	Rep, Mult	220,263
8	0.01	1	3qyyA	C2E	Rep, Mult	224,225,228,233,236,237,240,259,262,263
9	0.01	1	3b2xA	NA	Rep, Mult	228,229,232,236
10	0.01	1	4afyA	MG	Rep, Mult	375,389,588

	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	1ti6A	0.336	8.01	0.034	0.541	1.97.1.2	NA
2	0.060	2wqdA	0.340	5.40	0.048	0.438	2.7.3.9	496
3	0.060	2gbcA	0.360	8.00	0.044	0.596	3.4.14.5,3.4.15.5	326
4	0.060	3ecqB	0.331	7.11	0.030	0.488	3.2.1.97	NA
5	0.060	2dqmA	0.368	7.48	0.057	0.568	3.4.11.2	264
6	0.060	1ofdA	0.376	7.25	0.037	0.559	1.4.7.1	NA
7	0.060	1z68A	0.333	7.86	0.049	0.531	3.4.21.-	NA
8	0.060	2gtqA	0.364	7.68	0.058	0.568	3.4.11.2	NA
9	0.060	1qbaA	0.366	5.73	0.055	0.483	3.2.1.52	NA
10	0.060	1b0pA	0.314	7.79	0.054	0.504	1.2.7.1	NA
11	0.060	2bklB	0.342	8.26	0.043	0.568	3.4.21.26	305
12	0.060	2vdcA	0.377	6.84	0.043	0.541	1.4.1.13	NA
13	0.060	1rs0A	0.243	7.79	0.049	0.388	3.4.21.47	NA
14	0.060	1e5tA	0.346	8.18	0.052	0.570	3.4.21.26	NA
15	0.060	2ebsB	0.335	7.83	0.036	0.539	3.2.1.150	NA
16	0.060	3bq5A	0.424	6.79	0.059	0.612	2.1.1.14	NA
17	0.060	2ok5A	0.343	7.59	0.039	0.542	3.4.21.47	NA
18	0.060	1u22A	0.408	7.11	0.052	0.605	2.1.1.14	NA
19	0.060	1bxrA	0.349	8.25	0.045	0.584	6.3.5.5	191

(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	0.35	0.355	3.66	0.19	0.40	3gfxB	GO:0000166 GO:0009785 GO:0009882 GO:0046872 GO:0071949
1	0.25	0.262	3.27	0.20	0.28	2v0nA	GO:0000160 GO:0000166 GO:0004871 GO:0005525 GO:0005737 GO:0007049 GO:0007165 GO:0016740 GO:0030154 GO:0046872 GO:0052621
2	0.16	0.259	3.16	0.20	0.28	4h54A	GO:0000166 GO:0005525 GO:0008270 GO:0016740 GO:0043709 GO:0046872 GO:0051271 GO:0052621 GO:1902209
3	0.14	0.247	1.79	0.31	0.26	4ursA	GO:0000166
4	0.08	0.664	1.06	0.36	0.67	4rnfA	GO:0000155 GO:0000160 GO:0000166 GO:0005622 GO:0016020 GO:0016021 GO:0023014 GO:0042802 GO:0046872
5	0.06	0.440	4.60	0.16	0.52	3pjwA	GO:0000166 GO:0004871 GO:0007165 GO:0016020 GO:0016021
6	0.06	0.437	3.76	0.20	0.49	3sy8B	GO:0000160 GO:0005622 GO:0045892 GO:0046872
7	0.06	0.408	3.22	0.21	0.44	3sy8D	GO:0000160 GO:0005622 GO:0045892 GO:0046872
8	0.06	0.396	2.19	0.40	0.42	3n3tB	GO:0000166 GO:0016020 GO:0016021 GO:0046872
9	0.06	0.399	2.58	0.33	0.43	4hu3A	GO:0000155 GO:0000160 GO:0000287 GO:0005622 GO:0006351 GO:0006355 GO:0016787 GO:0019826 GO:0020037 GO:0023014 GO:0046872 GO:0050896 GO:0070482 GO:0071111
10	0.06	0.397	2.23	0.35	0.42	4hjfA	GO:0000166 GO:0046872
11	0.06	0.390	2.83	0.20	0.42	4fokA	GO:0000166 GO:0046872
12	0.06	0.384	2.27	0.29	0.41	4y9mA	GO:0016020 GO:0016021
13	0.06	0.386	2.69	0.31	0.42	4kieA	GO:0003677 GO:0006355 GO:0016787 GO:0071111
14	0.06	0.373	2.40	0.21	0.40	3hv9A	GO:0000160 GO:0000166 GO:0005622 GO:0006355
15	0.06	0.361	2.22	0.24	0.38	3pfmA	GO:0004871 GO:0007165 GO:0016020 GO:0016021
16	0.06	0.328	3.51	0.16	0.36	3gfyB	GO:0000166 GO:0009785 GO:0009882 GO:0046872 GO:0071949
17	0.06	0.309	3.17	0.19	0.34	3kzpB	GO:0046872
18	0.06	0.252	2.89	0.17	0.27	3breB	GO:0000160 GO:0005622

Consensus prediction of GO terms

Molecular Function	GO:0052621	GO:0005525	GO:0071949	GO:0009882	GO:0046914
GO-Score	0.37	0.37	0.35	0.35	0.33
Biological Processes	GO:0048869	GO:0009785	GO:0090609	GO:1902208	GO:1902116	GO:0051270	GO:0043708	GO:0031345	GO:0000160
GO-Score	0.50	0.35	0.33	0.33	0.33	0.33	0.33	0.33	0.31
Cellular Component	GO:0044424
GO-Score	0.50

(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.