D-I-TASSER A0ZSE6-D1

D-I-TASSER results for A0ZSE6-D1

[Click result.zip to download all results on this page]

Input Sequence in FASTA format

>A0ZSE6 (113 residues)
MEERAQHCLSRLLDNSALKQQELPIHRLYFTARRVLFVFFATGIFCLCMGIILILSARST
QEIEINYTRICANCAKLRENASNFDKECTCSIPFYLSGKMMVGEIQETRLTLH

Predicted Secondary Structure

Sequence	20 40 60 80 100 \| \| \| \| \| MEERAQHCLSRLLDNSALKQQELPIHRLYFTARRVLFVFFATGIFCLCMGIILILSARSTQEIEINYTRICANCAKLRENASNFDKECTCSIPFYLSGKMMVGEIQETRLTLH
Prediction	CCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCSSSSSSSCCCCCCCHHHHHHHCCCCCCCSSSSSSSSSCCCCCCCCSSSSSSSCC
Confidence	98666654568999996200135534401474389999999999999999999633287589999548887754666541368999827999999767676884479998619
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 \| \| \| \| \| MEERAQHCLSRLLDNSALKQQELPIHRLYFTARRVLFVFFATGIFCLCMGIILILSARSTQEIEINYTRICANCAKLRENASNFDKECTCSIPFYLSGKMMVGEIQETRLTLH
Prediction	86657876545427734243252422313132432232133313322331211121144044230303532452453455346565513040405055615444144340447
	Values range from 0 (buried residue) to 8 (highly exposed residue)

Predicted Contact, Hydrogen and Distance Map Used in D-I-TASSER simulation

Contact Map

Distance Map

Hydrogen bond networks

D-I-TASSER simulation is guided by the consensus contact map (left figure), distance map (middle figure) and Hydrogen bond network (right figure) derived based on confidence scores of AttentionPotential. In the contact, distance map and hydrogen bond networks, the axes mark the residue index along the sequence. For the contact map, each dot represents a residue pair with predicted contact, while for the distance map and hydrogen bond network, a color scale represents a distance of 1-20+ angstroms or a angle of 0-180 degree.

Top 10 threading templates used by D-I-TASSER

Rank

PDB
hit

ID1

ID2

Cov

Norm.
Zscore

Download
alignment

                  20                  40                  60                  80                 100

                   |                   |                   |                   |                   |

SS
Seq

CCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHCCCSSSSSSSCCCCCCCHHHHHHHCCCCCCCSSSSSSSSSCCCCCCCCSSSSSSSCC
MEERAQHCLSRLLDNSALKQQELPIHRLYFTARRVLFVFFATGIFCLCMGIILILSARSTQEIEINYTRICANCAKLRENASNFDKECTCSIPFYLSGKMMVGEIQETRLTLH

6k7gC

0.30

0.27

8.06

2.94

SPARKS-K

-----------RPDNTAFKQQRLPAWQPILTAGTVLPIFFIIGLIFIPIGIGIFVTSNNIREIEIDYTG-TEPSSPCNKCLSPDVTPCFCTINFTLEKSFEGNVFMYYGLSNF

7ky5B

0.19

0.18

5.73

4.71

HHsearch

-----DEVKNRRPKEDAFTQQRLAAINPVLTPRTVLPLYLLIAVVFVIVGGCILAQNSKVDEVTIYYQDCMTNASDIPSEHDFTKQRGTCQIRFTTPSDMKNNVYLNYVLEKF

7ky5B

0.20

0.19

5.96

1.52

FFAS-3D

-----DEVKNRRPKEDAFTQQRLAAINPVLTPRTVLPLYLLIAVVFVIVGGCILAQNSKVDEVTIYYQDCMTNATSDDESDDFTKQRGTCQIRFTTPSDMKNNVYLNYVLE--

6k7mC

0.31

0.27

8.28

1.36

CNFpred

-----------RPDNTAFKQQRLPAWQPILTAGTVLPIFFIIGLIFIPIGIGIFVTSNNIREIEIDYTGTESPCNKCLSPD---VTPCFCTINFTLEKSFEGNVFMYYGLSNF

5iwkA

0.08

0.07

2.79

0.83

DEthreader

HAALHIVPSFAACVVILILEPFAFLMQLPVKE-LVSLKWKYGRPYFCVLGAIYVLYIICFCCYRPLK-PRITNRTN-P-----------QKLLQEADDLLELVSITMSIQTED

7bspC

0.30

0.27

8.06

2.79

SPARKS-K

-----------RPDNTAFKQQRLPAWQPILTAGTVLPIFFIIGLIFIPIGIGIFVTSNNIREIEIDYTGTEPSS-PCNKCLSPDVTPCFCTINFTLEKSFEGNVFMYYGLSNF

1qvbA

0.03

1.72

0.71

MapAlign

AAYIAWKMPNVVYEQGYMFVKGGFPPGYLSLEAADKARRNMIQAHARAYDNIKRFNRLDWLGVNYYSRYGFCTPGGISPAENPCSDFGWEVYLLLKELYNRYGVDLIVTENGV

4idhA

0.05

2.43

0.48

CEthreader

PEVLRLEMEECKRRNPTLYRHIWLGEPVSASDMAIIKREWLEAATDAHKKLGWKAKGAVVSAHDPSDTGPDAKGYASRHGSVVKRIAEGGADWATSLAIEDGADHYLWDGDGV

6k7gC

0.31

0.27

8.30

0.87

MUSTER

-----------RPDNTAFKQQRLPAWQPILTAGTVLPIFFIIGLIFIPIGIGIFVTSNNIREIEIDYTGTEPSSP-CNKCLSPDVTPCFCTINFTLEKSFEGNVFMYYGLSNH

6rohC

0.21

0.19

6.18

4.61

HHsearch

---------SKKPPNTAFRQQRLKAWQPILSPQSVLPLLIFVACIFTPIGIGLIVSATKVQDLTIDYSHCDTKASDIPKKYENENGEQSCELQFEIPNDIKKSIFIYYKITNF

(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)	Download alignment lists the threading program used to identify the template, and provide the 3D structure of aligned regions of threading templates (threading[1-10].pdb.gz).
(f)	Template residues identical to query sequence are highlighted in color.

Top 1 final models from D-I-TASSER

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.5119

(a)

D-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 estimated TM-score (eTM-score), calculated based on significance of threading template alignments, contact map satisfaction rate, mean absolute error between distance of model and distance of AttentionPotential, and convergence of D-I-TASSER simulations. eTM-score is typically in the range of [0, 1], with higher eTM-score signifies higher model confidence.

[Click result.zip to download all results on this page]

References:
1.	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. In preparation, 2020.