D-I-TASSER P60411-D1

D-I-TASSER results for P60411-D1

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

Input Sequence in FASTA format

>P60411 (292 residues)
MAASTMSIRSSAYSDSWQVDDCPESCCEPPCCATSCCAPAPCLTLVCTPVSRVSSPCCQV
TCEPSPCQSGCTSSCTPSCCQQSSCQPAYCTSSPCQQACCVPVCCKPVCCVPVCCGASSC
CQQSSYQPACCASSSCQPACCVPVCCKPVCCAPTCSEDSYSCCQQSSCQPACCTSSPCQQ
SYCVPVCCKPVCCKPICCVPVCSGASSLCCQQSGCQPACCTTSCCRPSSSVSLLCRPVCR
PACCVPVSSCCAPTSSRQPSYCRQASCVSLLCRPVCSRPACYSFSSGQKSSC

Predicted Secondary Structure

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAASTMSIRSSAYSDSWQVDDCPESCCEPPCCATSCCAPAPCLTLVCTPVSRVSSPCCQVTCEPSPCQSGCTSSCTPSCCQQSSCQPAYCTSSPCQQACCVPVCCKPVCCVPVCCGASSCCQQSSYQPACCASSSCQPACCVPVCCKPVCCAPTCSEDSYSCCQQSSCQPACCTSSPCQQSYCVPVCCKPVCCKPICCVPVCSGASSLCCQQSGCQPACCTTSCCRPSSSVSLLCRPVCRPACCVPVSSCCAPTSSRQPSYCRQASCVSLLCRPVCSRPACYSFSSGQKSSC
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Confidence	9988652788999998888982899823988899884888888885389988879837988788885888888889986688872688616688588871467758988188872689752799747884788884888757887787630788888998868899878988789986888635788788750788878888886898878997789988998889897347876998789986457888388988889987889868887578789988268688899999
	H:Helix; S:Strand; C:Coil

Predicted Solvent Accessibility

Sequence	20 40 60 80 100 120 140 160 180 200 220 240 260 280 \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAASTMSIRSSAYSDSWQVDDCPESCCEPPCCATSCCAPAPCLTLVCTPVSRVSSPCCQVTCEPSPCQSGCTSSCTPSCCQQSSCQPAYCTSSPCQQACCVPVCCKPVCCVPVCCGASSCCQQSSYQPACCASSSCQPACCVPVCCKPVCCAPTCSEDSYSCCQQSSCQPACCTSSPCQQSYCVPVCCKPVCCKPICCVPVCSGASSLCCQQSGCQPACCTTSCCRPSSSVSLLCRPVCRPACCVPVSSCCAPTSSRQPSYCRQASCVSLLCRPVCSRPACYSFSSGQKSSC
Prediction	7401100001212353033731363101121143211431224332042413344302432154331442134304352344431422114433144311333214242133332444413444224342243421434124432143322423224334423322112131143321223113121143411413124331343334223432142311444114111134210312022411322233243432131221331213320010212332124344345326
	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                 120                 140                 160                 180                 200                 220                 240                 260                 280

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

SS
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MAASTMSIRSSAYSDSWQVDDCPESCCEPPCCATSCCAPAPCLTLVCTPVSRVSSPCCQVTCEPSPCQSGCTSSCTPSCCQQSSCQPAYCTSSPCQQACCVPVCCKPVCCVPVCCGASSCCQQSSYQPACCASSSCQPACCVPVCCKPVCCAPTCSEDSYSCCQQSSCQPACCTSSPCQQSYCVPVCCKPVCCKPICCVPVCSGASSLCCQQSGCQPACCTTSCCRPSSSVSLLCRPVCRPACCVPVSSCCAPTSSRQPSYCRQASCVSLLCRPVCSRPACYSFSSGQKSSC

3gavA

0.13

4.60

2.26

SPARKS-K

YSERGDAVCTE---SGWRPLSCEEKSCDNPYINTAKCPAPRCTLKPCDYPDIKHGGLYHENMRRPYFPVAVGKYYSYYCDESYWDHIHCTQDGWSPAVPCLRKCYFPNHGRKFACHPGYALPKAQTTVTCMENGWSPTPRCIRTCSSIDIENGFISESQYTYALKEKAKYQCKLGYVTAGETSGSITCAQPTCIKSCDIPVFMNARTKNDFTWFKLNDTLDYECSNTGSTGSIVCLPICYERECELPKIDVHLVPDRKKDQYKVGEVLKFSCKIVGPNSVQCYHFSPDLPIC

3ltfA

0.21

0.10

3.05

1.06

CNFpred

------------------------------------------------------------------CP-KCHESCTHGCWGEG---PKNCQ--KFSKLTCSPQCA-GGRCYGP--KPRECCHL-FCAGGCTGPTQKDCIACKNFFDEG-VCKEECPPMRGKYAYGATCVKECPGHLLRDNGACVRSCPQDKMDKGGECVPCNGPCPKTCPGV--------------------------------------------------------------------------------

2nbiA1

0.18

0.17

5.71

1.28

MUSTER

LNPSSQPSECADVLEECPIDECFLPYSDASRPPSCLSFGRPDCDVLPTPQNINCPRCCATECRPDNPMFTPSPDGSPPICSPTMLQPTPPEPSSAPSDCGEVIEECPLCFLPTSDPARPPDCTAVGRPDCDVLPFPNNLGC-PACCPFECSPDNPMFTPSPDGSPPNCSPTTPQPSTPTVITSPAPSSQPSQCAEQCPIDECFLPYGDSSRPLDCTDPAVNRPDCDVLPTPQNINCPACCAFECRPDNPMFTPSPDGSPPICSPTSSQPSDCGEVCPIDACFLPKSARPPDC

1a39A

0.06

0.05

2.47

0.52

CEthreader

HPQLTTFRCTKRGGCKPATNFIVLDSLWHWIHRAEGLGPGGCGDWGNPPPKDVCPDVESCAKNCIMEGIPDYSQYGVTTNGTSLRLQHILPDGRVPSPRVYLLDKTKRRYEMLHLTGFEFTFDSEMHPTGAKSKYNPGGAYYGTGYCDAQCFVTPFINGLGNIEGKGSCCNEMDIWEANSRASHVAPHTCNKKGLYLCEGEECAFEGVCDKNGCGWNNYRVNV--TDYYGRGEEFKVNTLKPFTVVTQFLANRRGKLEKIHRFYVQDGKVIESFYTNKEGVPYTNMIDDEFC

2xm6A

0.05

0.04

2.19

0.53

EigenThreader

SVKWFRLAAEQGRDSGQQSMGDAYFEGDGVTRDYVMAREWYSKAAEQGSCNQLGYMYSRGLGVERNDAISAQWYRKSATSGDELGQLHLADMYYFGIGVTQDYTQSRVLFSQSAEQGNSIAQFRLGYILEQGLAGAKEPLKALEWYR----KSAEQGNSDGQYYLAHLYDKGAEGVAKNKSAEQGDATAQANLGAIYFRLGSEEEHKKAVEWFRKAAAKGEKAAQFNLGNALLQGKGVKKDEQQAAIWMRKAAEQGLSAAQVQLGEIYYYGYVQAWAWFDTASTNDMNLFGT

1w0rA

0.12

0.11

3.99

0.25

FFAS-3D

-------------PVLCFTQYEESGKCKGLLGGGVSVEDCCLNTAFAYQKRSGGLCQPCRSPRWSLWST--WAPCSVTCSEGSQLRYRRCVGW--NGQCSGKVAPGTLEWQLQACEDQQCCPEMGGWSGWGPWEPCSVTCSKGTRTRRRACNHPAPKCGGHCCDTQQVCPTHGAWTPCSASCHGGPHEPKETRSRKCSAPEPSQKPPGKPCPRCTGLPPCPVAGGWGPWGPVSPCPVTCGLGQTMEQRTCNHPVPQHGGPFCAGDATRTHICNTAVPCPVDGEWSPCIRRN-

2qfgA

0.10

0.09

3.16

2.15

SPARKS-K

------------------------------------------EFEDCNELPPRRNTEILTGSWSDQTYPE-GTQAIYKCYRSLGNVIMVCRKGEWVALNPLRKCQKRPCGHPTLTGGNVFEYGVKAVYTCNLGEINYRECDTIPICEVVKCLPVAPENGKIVSSAMEPDREYHFGQAVRFVCNEEMHCSGFWSKEKKCVEISCKSPDVINGSPISQKIIYKENEFQYKCNGDAVCTPSCEEKSCDNPYIKHRTGDEITYQCYPATRGNTAKCTSGWIPAPRCTLHHHHHH--

5ms9A

0.17

0.09

2.81

1.03

CNFpred

-----------------------SASRSIQHCNIRCMNGGSCSDDHCLCQKYIGTHCGQPVCE-SGCLNGGRCVAPNRCACTYGFTGPQCERDYRTGPCFTVIMCQGQLSGIVSTKTLCCATVGRAWGHPCEMCPAQPHPCRRGFIPNACQDVDECQAIPGLCQGGNCI---------------------------------------------------------------------------------------------------------------------------

5y81A

0.04

0.02

1.27

0.67

DEthreader

----------------------------------------------------------------L-PTPTNPIKDAFYRGLKPYERLHA--LFAGILREVVLL--PHLNDISIKPILQLAYLPFLMKPLVFALQQYPDLS--------GQDLLRLQ------RQLVLFNMDLFNTVIKFQALLKIFQFVINLLLSFIDIIKWVYFDFPI---------AGTDHPDNWENKTLR-LNILSE------F-KFL------ENILYYCMNALDVLYVKMNLPTIQNLL-----KCI

6su8A

0.08

3.03

0.89

MapAlign

HPKLPTWKCTTEGGCVQQNTSVVLSHPIHEVGNSDVSCVVSGGLNQSLCPNEEECSKNCVVEGANYTSSGVHTDGDALTLNQYVTNGDQVVTASPRVYLLASDDEDGNYSMLQLLGQELSFDVDVSKLVCGMNGALYLSEMDASGGRNSLNPAGAQYGSGYCDAQCGVQPFINGTVNTGSLGACCNELTPHPCSVTSIYACSGAECGSNGVCDKPGCGYNPYALGDHNYYGPGKTVDTSRPFTVVTQFLTNDNTTTGTLTEIRRLYVQPSPSDSVSSITDSFCSTVDSYFE-

(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

SpinHigh qualityWhite background

Click to view	Rank^a	Download	Estimated TM-score^b
	1	model1.pdb.gz	0.3243

(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.

Proteins with similar structure

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script 1 started

FileManager.getAtomSetCollectionFromFile(model1_5ou5A.pdb.gz)

FileManager opening 1 https://zhanglab.comp.nus.edu.sg/HPmod/data/P60411/P60411-D1/model1_5ou5A.pdb.gz

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The Resolver thinks Pdb

/jmol//j2s/core/corebio.z.js

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Time for openFile(model1_5ou5A.pdb.gz): 3068 ms

reading 8242 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

8242 atoms created

ModelSet: autobonding; use autobond=false to not generate bonds automatically

Jmol 14.2.13_2015.03.07 2015-03-07 10:45 DSSP analysis for model 1.1 - null

W. Kabsch and C. Sander, Biopolymers, vol 22, 1983, pp 2577-2637

We thank Wolfgang Kabsch and Chris Sander for writing the DSSP software,

and we thank the CMBI for maintaining it to the extent that it was easy to

re-engineer for our purposes. At this point in time, we make no guarantee

that this code gives precisely the same analysis as the code available via license

from CMBI at http://swift.cmbi.ru.nl/gv/dssp

All bioshapes have been deleted and must be regenerated.

NOTE: Backbone amide hydrogen positions are present and will be ignored. Their positions will be approximated, as in standard DSSP analysis.

Use SET dsspCalculateHydrogenAlways FALSE to not use this approximation.

null

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Jmol JavaScript applet jmolApplet2__258535394147224__ initializing

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SpinHigh qualityWhite background

Top 10 structural analogs in PDB (as identified by TM-align)

Rank	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	Download Alignment
1	5ou5A	0.43	6.09	0.037	0.712	model1_5ou5A.pdb.gz
2	2aw5B	0.43	6.09	0.082	0.712	model1_2aw5B.pdb.gz
3	6w29A	0.43	6.31	0.061	0.726	model1_6w29A.pdb.gz
4	1o0sA	0.43	6.28	0.058	0.723	model1_1o0sA.pdb.gz
5	1eflA	0.43	6.13	0.041	0.712	model1_1eflA.pdb.gz
6	6urfA	0.43	6.34	0.055	0.726	model1_6urfA.pdb.gz
7	4zhjA	0.42	6.54	0.040	0.706	model1_4zhjA.pdb.gz
8	6xlrA2	0.41	6.35	0.058	0.695	model1_6xlrA2.pdb.gz
9	7d0kA	0.40	6.34	0.041	0.685	model1_7d0kA.pdb.gz
10	6rc9A1	0.40	6.26	0.041	0.688	model1_6rc9A1.pdb.gz

(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 Gene Ontology (GO) Terms

Molecular Function (MF)

GO term	Cscore^GO	Name
GO:1901363	0.41	heterocyclic compound binding
GO:0097159	0.41	organic cyclic compound binding
GO:0042802	0.34	identical protein binding

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Molecular Function. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Biological Process (BP)

GO term	Cscore^GO	Name
GO:0044699	0.92	single-organism process
GO:0009987	0.87	cellular process
GO:0044763	0.74	single-organism cellular process
GO:0008152	0.71	metabolic process
GO:0071704	0.69	organic substance metabolic process
GO:0044237	0.68	cellular metabolic process
GO:0032502	0.66	developmental process
GO:0044767	0.58	single-organism developmental process
GO:0044710	0.53	single-organism metabolic process
GO:0044281	0.51	small molecule metabolic process

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Biological Process. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Cellular Component (CC)

GO term	Cscore^GO	Name
GO:0044464	0.99	cell part
GO:0044424	0.93	intracellular part
GO:0043226	0.69	organelle
GO:0043227	0.67	membrane-bounded organelle
GO:0043229	0.62	intracellular organelle
GO:0043231	0.60	intracellular membrane-bounded organelle
GO:0044422	0.55	organelle part
GO:0044446	0.54	intracellular organelle part
GO:0044444	0.50	cytoplasmic part

Download full result of the above consensus prediction.

Click the graph to show a high resolution version.

(a)

Cscore^GO is the confidence score of predicted GO terms. Cscore^GO values range in between [0-1]; where a higher value indicates a better confidence in predicting the function using the template.

(b)

The graph shows the predicted terms within the Gene Ontology hierachy for Cellular Component. Confidently predicted terms are color coded by Cscore^GO:

[0.4,0.5)

[0.5,0.6)

[0.6,0.7)

[0.7,0.8)

[0.8,0.9)

[0.9,1.0]

Predicted Enzyme Commission (EC) Numbers

script 1 started

FileManager.getAtomSetCollectionFromFile(model1.pdb.gz)

FileManager opening 1 https://zhanglab.comp.nus.edu.sg/HPmod/data/P60411/P60411-D1/model1.pdb.gz

The Resolver thinks Pdb

Time for openFile(model1.pdb.gz): 610 ms

reading 3945 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

3945 atoms created

ModelSet: autobonding; use autobond=false to not generate bonds automatically

Jmol 14.2.13_2015.03.07 2015-03-07 10:45 DSSP analysis for model 1.1 - null

W. Kabsch and C. Sander, Biopolymers, vol 22, 1983, pp 2577-2637

We thank Wolfgang Kabsch and Chris Sander for writing the DSSP software,

and we thank the CMBI for maintaining it to the extent that it was easy to

re-engineer for our purposes. At this point in time, we make no guarantee

that this code gives precisely the same analysis as the code available via license

from CMBI at http://swift.cmbi.ru.nl/gv/dssp

All bioshapes have been deleted and must be regenerated.

NOTE: Backbone amide hydrogen positions are present and will be ignored. Their positions will be approximated, as in standard DSSP analysis.

Use SET dsspCalculateHydrogenAlways FALSE to not use this approximation.

null

3945 atoms selected

spinX = 10

spinY = 10

Script completed

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setting document base to "https://zhanglab.comp.nus.edu.sg/HPmod/data/P60411/P60411-D1/"

Jmol Version: 14.2.13_2015.03.07 2015-03-07 10:45

java.vendor: Java2Script (HTML5)

java.version: 2015-03-01 07:13:29 (JSmol/j2s)

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Jmol getValue DRAGDROPCallback null

Jmol getValue ECHOCallback null

Jmol getValue ERRORCallback null

Jmol getValue EVALCallback null

Jmol getValue HOVERCallback null

Jmol getValue IMAGECallback null

Jmol getValue LOADSTRUCTCallback null

Jmol getValue MEASURECallback null

Jmol getValue MESSAGECallback null

Jmol getValue MINIMIZATIONCallback null

Jmol getValue SERVICECallback null

Jmol getValue PICKCallback null

Jmol getValue RESIZECallback null

Jmol getValue SCRIPTCallback null

Jmol getValue SYNCCallback null

Jmol getValue STRUCTUREMODIFIEDCallback null

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SpinHigh qualityWhite background

Top 5 enzyme homologs in PDB

Rank	Cscore^EC	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	EC Number	Predicted Active Site Residues
1	0.060	2o15A	0.380	6.06	0.062	0.630	2.5.1.19	NA
2	0.060	2pdaA	0.383	6.39	0.047	0.657	1.2.7.1	NA
3	0.060	1fo4A	0.359	6.90	0.027	0.654	1.17.1.4	NA
4	0.060	3b9jC	0.350	6.82	0.024	0.630	1.17.3.2 1.17.1.4	NA
5	0.060	2ow6A	0.398	6.39	0.043	0.688	3.2.1.114	NA

	Click on the radio buttons to visualize predicted active site residues.
(a)	Cscore^EC is the confidence score for the Enzyme Commission (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.

Predicted Ligand Binding Sites

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Jmol JavaScript applet jmolApplet1__258535394147224__ initializing

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Jmol Version: 14.2.13_2015.03.07 2015-03-07 10:45

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FileManager.getAtomSetCollectionFromFile(complex1.pdb.gz)

FileManager opening 1 https://zhanglab.comp.nus.edu.sg/HPmod/data/P60411/P60411-D1/complex1.pdb.gz

The Resolver thinks Pdb

Time for openFile(complex1.pdb.gz): 676 ms

reading 3989 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

3989 atoms created

ModelSet: autobonding; use autobond=false to not generate bonds automatically

Jmol 14.2.13_2015.03.07 2015-03-07 10:45 DSSP analysis for model 1.1 - null

W. Kabsch and C. Sander, Biopolymers, vol 22, 1983, pp 2577-2637

We thank Wolfgang Kabsch and Chris Sander for writing the DSSP software,

and we thank the CMBI for maintaining it to the extent that it was easy to

re-engineer for our purposes. At this point in time, we make no guarantee

that this code gives precisely the same analysis as the code available via license

from CMBI at http://swift.cmbi.ru.nl/gv/dssp

All bioshapes have been deleted and must be regenerated.

NOTE: Backbone amide hydrogen positions are present and will be ignored. Their positions will be approximated, as in standard DSSP analysis.

Use SET dsspCalculateHydrogenAlways FALSE to not use this approximation.

null

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solventProbeRadius = 1.0

ambientPercent = 40

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SpinHigh qualityWhite background

Template proteins with similar binding site:

Click to view	Rank	Cscore^LB	PDB Hit	TM-score	RMSD^a	IDEN^a	Cov.	BS-score	Lig. Name	Download Complex	Predicted binding site residues
	1	0.01	1do8B	0.373	6.60	0.036	0.644	0.12	NAD	complex1.pdb.gz	116,117,118,119,120,173

	Click on the radio buttons to visualize predicted binding site and residues.
(a)	Cscore^LB is the confidence score of predicted binding site. Cscore^LB values range in between [0-1]; where a higher score indicates a more reliable ligand-binding site prediction.
(b)	BS-score is a measure of local similarity (sequence & structure) between template binding site and predicted binding site in the query structure. Based on large scale benchmarking analysis, we have observed that a BS-score >1 reflects a significant local match between the predicted and template binding site.
(c)	TM-score is a measure of global structural similarity between query and template protein.
(d)	RMSD^a the RMSD between residues that are structurally aligned by TM-align.
(e)	IDEN^a is the percentage sequence identity in the structurally aligned region.
(f)	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.

[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.