C-I-TASSER PF16149

C-I-TASSER results for PF16149

Input Sequence in FASTA format

>PF16149 (270 residues)
FSMYSTIIDDFVSMGHEEGKGMMRRDQSGNVYTQEQVDSILPFFYIRQLMADERFPDTIK
GIAVTPREIQLTNFSFRSAPSDINASRIELYPLLESMSGRVDLAMPDDVFRITNKGIEFI
KMKTNTVDADKSSQFTEAMVKKGFKFPAQRLAGNPTTRKEYDEGYLILDNEGKLFHLKQT
KGRPYVRAISLPEGVKAKHLFITEFKSRKTLGFLTDMDNNFYVLNNKTYDLVKTGVPAFN
PEQDALSIFGNMFDWTVCIKTGKADEYYAL

Predicted contact map

C-I-TASSER simulation is guided by consensus contact map derived based on confidence scores of TripletRes ResTriplet, ResPRE, and NeBcon. In the contact map, the axes mark the residue indexes along the sequence, while each dot represents a residue pair with predicted contact. The upper left triangle is for top L contact map, while the lower right triangle is for top L/5 contact map. No contact is close to the diagonal, because C-I-TASSER does not consider contacts for residue pairs separated by <6 residues.

Top 10 threading templates (target type: hard)

Rank

PDB
hit

ID1

ID2

Cov

Norm.
Zscore

Threading
program

                  20                  40                  60                  80                 100                 120                 140                 160                 180                 200                 220                 240                 260

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

Seq

FSMYSTIIDDFVSMGHEEGKGMMRRDQSGNVYTQEQVDSILPFFYIRQLMADERFPDTIKGIAVTPREIQLTNFSFRSAPSDINASRIELYPLLESMSGRVDLAMPDDVFRITNKGIEFIKMKTNTVDADKSSQFTEAMVKKGFKFPAQRLAGNPTTRKEYDEGYLILDNEGKLFHLKQTKGRPYVRAISLPEGVKAKHLFITEFKSRKTLGFLTDMDNNFYVLNNKTYDLVKTGVPAFNPEQDALSIFGNMFDWTVCIKTGKADEYYAL

3vuoA

0.07

0.06

2.43

0.87

SPARKS-K

TRLIGNKVNNWEIYFEDNGLVFEIIDSNGNQ------------------------------ESVYLSNVINNNYYISISVDRLK---DQLLIFINDKEQILNIYSTNVISLVNKNNEELSVLDKPVASEEVIRNYFSYLD-NSY---IRDSSKSLLE---YNKNYQLYNPETSL--YEVNDNNKSYLSLKNTDGIPSVKFKLINIDKWDECIICVSDGTEKYLDISENNRIQLVS----SKDNAKITVNTDLFRPCITFSYNDKYFSLSL

3vgzA2

0.13

0.06

1.93

0.54

FFAS-3D

---------------------------------------------------------------------------------------------------------------------------------------------------------KSTGLALDSEGLYTTNADGELITIDTADNKILSRKKLLDDGKEHFFINISLDTARQRAFITDSKAAEVLVVDTRNGNILASLAVLFNPARNEAYVTHRQAGKVSVIDAKSYKVVKTF

3s94A

0.13

0.10

3.57

0.31

HHpred

-------ATELLLLARRT--DLRRISLDTPDFTD----IVLQL---------EDI-RHAIAIDYDPVEGDEVRAIRRSFIDG---SG--SQFVVTAHPDGIAVDVARNLYWTDTDRIEVTRLNGTMR--------------------KILIS--EDLEEPR---AIVLDPVGYMYWTD--WGIPKIERAALD-G-SDRVVLVN-TSLGWPNGLALDDEGKIYWGDAKTDKIEVMNTDGTGRRIFGFTLLGDYVYWTDRVHKRSAER----

5oljA1

0.12

0.11

3.90

0.72

MUSTER

GIRSMP--GEHYTEMNRERTAIVRYNYASGKAVDTLFSI----------RARECPFKQIQNYEVSSDMESIYRHSYRAAVYDYDVRRNLVKPLSEHVGKVMIPTFPDGVAFVRDNNIFIKKFDFDTE-----VQVTTDGQINSVLNGATDWVYEEEFGVTNL---MSWSADNAAFVRSDESAVPEYRMPMYEDKLYPEDYTYKYPKAGE-----KNSTVSLHLYNVADRNTKSVSLPIDADGYPRIAF-ADELAVMTLNRLQNDFKMYYV

1q7fA

0.09

0.07

2.51

1.27

CNFpred

RVAVVRNSGDIIVTERSPTHQIQIYNQYGQFVR-----------------------------KFGATILQ-HPRGVTVDN------KGRIIVVECK---------VMRVIIFDQNVLHKFGCSK------------------HLEFPNGVVVND-------KQEIFISDNRHCVKVFNYE--GQYLRQIGGEITNYPIGVGINS--NGEILIADNHNNFNLTIFTQDGQLISALESKVK---AQCFDVALMDDGSVVLASKDYRLYIYRY

4jhnA

0.12

0.10

3.57

0.38

HHsearch-2

KFWFKPTKEKVKLAACGRN-HTLVSTEGGNVYATGG-------NNEGQLGLGDNTFHVISFFTHKIKQLSASNTSAALTE------DGRLFMWGDNSEGQIGVCVPKPVSWISYYHSAFVTTDEPELGLPNQ-------LLGNHRTPQLV-SEIPEKVIQVGEHTVVLT-ENAVYTFGLGQGTSEPKVIENIRDQTISYISCG-----ENHTALITDIGLMYTFGDGRHHFIPTLCSNFLR-FIVKLVACGGCHMVVFAAPHR-------

2fp9A

0.11

0.10

3.62

0.90

Neff-PPAS

-GFYTSVQDGRVIKYEGPNSGFVDFAYASPYWNKAFCENSTDAEKRPLCG-------RTYDISYNLQ---NNQLYIVDCYYHLSGSEGGHATQLATSVDGVPFKWLYAVTVDQRTGIVYFTDVSTLYDDRGVQQIMDTSDKTGRLIPSTKETTLLLKELHVPGGAEVSADSSFVLVAEFLSHQIVKYWLEGPKKGTAEVLVKIPN----PGNIKRNADGHFWVSSSEELD------GNMHGRVDPKGIKFDEGNILEVIPLPPPFAGEHF

2qc5A3

0.11

0.03

1.20

0.29

HHsearch

---------------------------------------------------------------------------------------------------------------------------------------------QPDSGPYGITEG------L-NGDIWFTQLNDRIGKLTA-DGT-------------IYEYDL-PNKGSYPAFITLGSDNALWFTENQNNSIGRITN------TGKLEEYP--------------------

3p1lA

0.11

0.10

3.46

0.84

SP3

ALLSGGVTGGHVYIGSEKAQVYALNTSDGTVAWQTKVAGEAPVVSDGLVTSNG----QL--QALNEAD---GAVKWTV---NLDMPSLS-------LRGESAPTTAFGAAVVDNGRVSAVLMEQGQM------IWQQRISQATGSTEIDRLSDVDTTPVVVNGVVFALAYNGNLTALDLRSGQIMWKR----ELGSVNDFIVDGN-----RIYLVDQNDRVMALTIDGGVTLWTQSDLLHRLLTSPVLYNG----NLVVGDSEG-YLHWI

5ay6A

0.09

0.08

3.16

0.84

PROSPECTOR2

KTTRVAAAVSYKVGTAGSPSKTNVVDSATNSHN------------YDVVYSSTGIANPVSGNNEYLVDIKENGVIVATGKVAYDAATNELVSSTIDYKGASPVTGSMTTTRINAAGTTVLGIVNASGADDAEVVAGKLYDPSTWSMSDYAKDNSKGVKPDFEVQIPLSDSKGGQRTVTLSPNQWYAEDLANNGNGQISTGIIEFTTDGKLKSLFGTTSPTAITIKSSGYIAPTVTPPAVQPPTPEVQIDLASAAGGLTQYNSQSVVQSVN

(a)	ID1 is the number of template residues identical to query divided by number of aligned residues.
(b)	ID2 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 and is highlighted in bold.
(e)	Threading program lists the threading program used to identify the template.
(f)	Template residues identical to query sequence are highlighted in color.

Top 5 final models from C-I-TASSER

Click to view	Rank^a	Download	C-score^b	Estimated TM-score^c	Estimated RMSD^c
	1	model1.pdb.gz	-3.85	0.39±0.08	13.6±3.2Å
	2	model2.pdb.gz	-4.21
	3	model3.pdb.gz	-8.58
	4	model4.pdb.gz	-8.65
	5	model5.pdb.gz	-8.65

(a)	C-I-TASSER simulations generate a large ensemble of structural conformations, i.e. decoys. These decoys are clustered by SPICKER based on pairwise structure similarity to report up to five final models from the five largest clusters. Models are ranked in descending order of cluster size. If the simulations converge well, it is possible to have less than 5 models generated, which is usually an indication of good model quality.
(b)	The model confidence is quantitatified by C-score, calculated based on significance of threading template alignments and convergence of C-I-TASSER simulations. higher C-score signifies higher model confidence.
(c)	Model TM-score and RMSD are estimated based on C-score and protein length for the first model.

References:
1.	Wei Zheng, Yang Li, Chengxin Zhang, Robin Pearce, S. M. Mortuza, Yang Zhang. "Deep-learning contact-map guided protein structure prediction in CASP13." Proteins: Structure, Function, and Bioinformatics, 87: 1149-1164 (2019).