I-TASSER results

I-TASSER results for job id Rv2100

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

Input Sequence in FASTA format

>protein (550 residues)
MAGALFEPSFAAAHPAGLLRRPVTRTVVLSVAATSIAHMFEISLPDPTELCRSDDGALVA
AIEDCARVEAAASARRLSAIAELTGRRTGADQRADWACDFWDCAAAEVAAALTISHGKAS
GQMHLSLALNRLPQVAALFLAGHLGARLFSIIAWRTYLVRDPHALSLLDAALAEHAGAWG
PLSAPKLEKAIDSWIDRYDPGALRRSRISARTRDLCIGDPDEDAGTAALWGRLYATDAAM
LDRRLTEMAHGVCEDDPRTLAQRRADALGALAAGADHLACGCGKPDCPSGAGNDERAAGV
VIHVVADASALDAQPDPHLSGDEPPSRPLTPETTLFEALTPDPEPDPPATHAPAELITTG
GGVVPAPLLAELIRGGATISQVRHPGDLAAEPHYRPSAKLAEFVRMRDLTCRFPGCDVPA
EFCDIDHSAPWPLGPTHPSNLKCACRKHHLLKTFWTGWRDVQLPDGTVIWTAPNGHTYTT
HPGSRIFFPTWHTTTAELPQTSTAAVNVDARGLMMPRRRRTRAAELAHRINAERALNDAY
MAERNKPPSF

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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAGALFEPSFAAAHPAGLLRRPVTRTVVLSVAATSIAHMFEISLPDPTELCRSDDGALVAAIEDCARVEAAASARRLSAIAELTGRRTGADQRADWACDFWDCAAAEVAAALTISHGKASGQMHLSLALNRLPQVAALFLAGHLGARLFSIIAWRTYLVRDPHALSLLDAALAEHAGAWGPLSAPKLEKAIDSWIDRYDPGALRRSRISARTRDLCIGDPDEDAGTAALWGRLYATDAAMLDRRLTEMAHGVCEDDPRTLAQRRADALGALAAGADHLACGCGKPDCPSGAGNDERAAGVVIHVVADASALDAQPDPHLSGDEPPSRPLTPETTLFEALTPDPEPDPPATHAPAELITTGGGVVPAPLLAELIRGGATISQVRHPGDLAAEPHYRPSAKLAEFVRMRDLTCRFPGCDVPAEFCDIDHSAPWPLGPTHPSNLKCACRKHHLLKTFWTGWRDVQLPDGTVIWTAPNGHTYTTHPGSRIFFPTWHTTTAELPQTSTAAVNVDARGLMMPRRRRTRAAELAHRINAERALNDAYMAERNKPPSF
Prediction	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHCHHHHHHHHHCCCCHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHCCCCCCCCHHHHHHCCEEEEHCCCCCCEEEEEEEHCHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCEHCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCEHCCCCCCCCCCCCCCCCCCCEEHCCCCCCCHHHHHHHHHHCCCCCEEHCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCHHHCCCCCCCCCEEEEHCCCCEEEEHCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCC
Conf.Score	9887667776667765667788887766667765688988656788665556999999999999999999999999999999999865555566655555789999999999999999999999976565558999999989999999999999997599577788999999987776567899999999999999989777776688887768589856799987999999879999999999999987568999999877666777777578887776667778777778888887755544577677656787766678888877655554444445555556777777765675788877899999999867766555568888777788899999999998688679999999975556666778899999977755555555455557885788758998599988999689769999888888888887888888889888777667775445578999999999999999999876589999
	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 \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| \| MAGALFEPSFAAAHPAGLLRRPVTRTVVLSVAATSIAHMFEISLPDPTELCRSDDGALVAAIEDCARVEAAASARRLSAIAELTGRRTGADQRADWACDFWDCAAAEVAAALTISHGKASGQMHLSLALNRLPQVAALFLAGHLGARLFSIIAWRTYLVRDPHALSLLDAALAEHAGAWGPLSAPKLEKAIDSWIDRYDPGALRRSRISARTRDLCIGDPDEDAGTAALWGRLYATDAAMLDRRLTEMAHGVCEDDPRTLAQRRADALGALAAGADHLACGCGKPDCPSGAGNDERAAGVVIHVVADASALDAQPDPHLSGDEPPSRPLTPETTLFEALTPDPEPDPPATHAPAELITTGGGVVPAPLLAELIRGGATISQVRHPGDLAAEPHYRPSAKLAEFVRMRDLTCRFPGCDVPAEFCDIDHSAPWPLGPTHPSNLKCACRKHHLLKTFWTGWRDVQLPDGTVIWTAPNGHTYTTHPGSRIFFPTWHTTTAELPQTSTAAVNVDARGLMMPRRRRTRAAELAHRINAERALNDAYMAERNKPPSF
Prediction	6101113431213344223644244121012322101200122214233034032310040023013010000010000000013213434444422232031000000110400121021103102113100100100221301140010003004404463113201200121032014111520150033004302352355456414543112132321100010101010200000120023004311563522321111100022124224121313332144344525333313111002221121143231323312222222221011011112122212121001010111000000000100110121110122143142421100300010000010000000001003101110023154010002001000210021133442122211250100000131121213052112124132142532444445344654434434453424552343154025324432466563237
	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

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

Sec.Str
Seq

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHCCCCCCCCCCCHHHHHHHHHHHHHCCCHHHHHHHHHHHHHHHHCHHHHHHHHHCCCCHHHHHHHHHHHHCCCCHHHHHHHHHHHHHHHHHCCCCCHHHHHHHHHHHHHHHCCCCCCCCHHHHHHCCEEEEHCCCCCCEEEEEEEHCHHHHHHHHHHHHHHHHHCCCCCCCCHHHHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCEHCCCCCHHHHHCCCCCCCCCCCCCCCCCCCCCCEHCCCCCCCCCCCCCCCCCCCEEHCCCCCCCHHHHHHHHHHCCCCCEEHCCCCCCCCCCCCCCHHHHHHHHHHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHCHHHCCCCCCCCCEEEEHCCCCEEEEHCCCCCEEHCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHCCCCCC
MAGALFEPSFAAAHPAGLLRRPVTRTVVLSVAATSIAHMFEISLPDPTELCRSDDGALVAAIEDCARVEAAASARRLSAIAELTGRRTGADQRADWACDFWDCAAAEVAAALTISHGKASGQMHLSLALNRLPQVAALFLAGHLGARLFSIIAWRTYLVRDPHALSLLDAALAEHAGAWGPLSAPKLEKAIDSWIDRYDPGALRRSRISARTRDLCIGDPDEDAGTAALWGRLYATDAAMLDRRLTEMAHGVCEDDPRTLAQRRADALGALAAGADHLACGCGKPDCPSGAGNDERAAGVVIHVVADASALDAQPDPHLSGDEPPSRPLTPETTLFEALTPDPEPDPPATHAPAELITTGGGVVPAPLLAELIRGGATISQVRHPGDLAAEPHYRPSAKLAEFVRMRDLTCRFPGCDVPAEFCDIDHSAPWPLGPTHPSNLKCACRKHHLLKTFWTGWRDVQLPDGTVIWTAPNGHTYTTHPGSRIFFPTWHTTTAELPQTSTAAVNVDARGLMMPRRRRTRAAELAHRINAERALNDAYMAERNKPPSF

5gaoE

0.15

0.09

0.59

1.17

dPPAS2

--------------------------------------------------------------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA--------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA------AAAAAAAAAAAAAAAAAARAAAAAAAAA---------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK--------

5gaoE

0.15

0.09

0.61

1.23

PPAS

------------------------------------------------------------------------------------------------------------------------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA-----AAAAAAAAAAAAAAAAAAAAAAAAAAAAAA------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA----------AAARAAAAAAAAAA-----------------------------------AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAATTKEAYKKLSQKFHGTKSNKK------------

2c9kA

0.09

0.98

1.14

Env-PPAS

VVGTVL-TGFGFTTPLGLALIGFGTLIPVLFPAQDQSNTWSDFITQTKNIKEIASTYISNANKILNRSFNVISTYHNHLKTWE---NNPNPQNTQDVRTQIQLVHYHFQNVIPVNSCPPNPSDCDYYNILVLSSYAQAANLHLTVLNQAVKFEAYLKNNTAIDYYPVLTKAIEDYTNYCVTTYKKGLNLIKTTPDSNLDGNINWNTYNTYRTKMTTAVLD-----LVALFPNYDVGKPIGVQSELTREIYQVLNFEESPYKYYDFQYQEDSLTRRPHLFTWEKAQTTPNNFFTSHYNMFHYTLDNISQKSSVFGNHNVTDKLKSLGLATNIYIFLLNVISLDNKYLNDYNNISKMFITNGTRLLEKELTAGSGQITYDVNKNIFPILKRREETLFPTYDIKSLSIPATYKTQVYTFAWTHSSVDPKNTIYTHQIPAVKANSLGTASKVVQGPGHTGGDLIDFKDHFKITCQHSNFQRYASNGSANTRAVINLSIPGVAELGMALNPTFSGTDYTNLKYKDFQYLEFSNEVKFAPNQNISLVFNRSDVYTF

4ke2A

0.18

0.06

0.36

1.14

dPPAS2

--------------------------------------------------MNIDPAARAAAAAAASKAAVTAADAAAAAATIAASAAS-----------VAAATAADDAAASIATINAASAAAKSIAAAAAMAAKDTAAAAASAAAAAVASAAKALETINVKAAYAAATTANTAAAAAAATATTAAAAAAAKATIDNAAAAKAAAVATAVSD-----------------AAATAATAAAVAAATLEAAAAKAAATAVSAAAAAAAAAIAFAAAP------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4b2nA

0.10

0.09

0.97

1.19

PPAS

KQGVNSNPNAALQFNAYFVDLHNPPPPFVNRLPGQFRASATRGRVNLEERQFFQPMALATSYHFIFLQWGYLIRPPDFEEQVSKRYGLYPAPFRNPYPLPGEDPNQTNGGSGQLPLGLIQGKDDNGRWTGLIGASCSACHDSRLGTASEASFKWGLPNSANDAGLLASDMFRTTPITALGNLLPLPWIGLISLLPALFDMETLTLAPSLLEYVADAPHAGMTKDGSLSANIFRDANARRGLEDEFEDINNFLISLSPATYPKTINTALAEQGAVIYHERDLWASGANGAIPKPAGNGSCASCHGVYSPRHAADPNYLPDPRLKGVAAVVTPIETI----------------RTDPRRMRLMADERQRRAWNSGWWAYNNLSPSWTGYPSDNIVASELRRVPRAIYNNGGPIYSPLGPNIWEEPTGYIAPPLYGGPNLWGVLKPSDRKRPYTAAGIGGKNAGYDYSFASYDWQKLGWKYTAVACNNSIFTSPFLPCTHNMATIDILYSMWDNVAAQYLNLAYQSPPPITDQQIKSRMVYNSYLYGNDNG-F

1dlcA

0.10

0.93

1.10

Env-PPAS

VVGDLL-GVVGFPFGGALVSFYTNFLNTIWPSEDPWKAFMEQVEALMDQ--KIADYAKNKALAELQGLQNNVEDYVSALSSWQKN----------PVSSRNPHSQGRIRELFSQAESHFRNSMPSFAIVLFLTTYAQAANT-HLFLLKDAQIYGEEWGYEKEDIAEFYKRQLKLTQEY-----TDHCVKWYNVGLDKLRGSSYESWVNFNRYRREMT---------------LTVLDLIALFPLYD-----VRLYPKEVKTELTRDVLTDPIVGVNNLRGYGTTFSNIENYIRKPHLFDYLHRIQFHTRFQPGYYGNDSFNPSIGSNDIITSPFYGNKSSEPVQNLEFNGEKVYRAVANTNLAVWPSAVYSGV-TKVEFSQYNDQTDEASTQTYDSKRNVGAVSWDSIDQLPPETTDEPLEK-GYSHQVMCFLMQGSRGTIPVLTWTHKSVDFFQSGASVVAGPRGDIIQCTENGSTIYVTPDVSYSQKSTSQITFTLSLDGAPFNQYYFDKTINKGDTLTNLASFSTPFELSGNNLQIGVTGLSAGDKV

5cwmA

0.08

0.03

0.41

1.11

dPPAS2

---------------------------DPEDELKRVEKLVKEAEELLRQAKEKGSEEDLEKALRTAEEAAREAKKVLEQAEKEGDPEVALRAVE--LVVRVAELLLRIAKESGS-EEALERALRVAEEAARLAKRVLELAEKQGDPEVALRAVELVVRVAELLLRIAKESGSEEALERALRVAEEAARLAKRVLELAE----KQGDPEVARR---------------------AVELVKRVAELLERIARESGSEEAKERAERVREEARELQERVKELRER-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

4lm8A

0.08

0.07

0.90

1.03

PPAS

AFDSNKVFNAQLTQRFNVVSAAGKLADGTTVPVAEMVEDFDGQGNAPQGEKIYHQATEVETCISCTQEFADGRGKPHVAFSHLIHNVHNANKAWGKDNKIPTVAQNIVQDNCQVCHVESDM-LTEAKNWSRIPTMEVCSS----VDIDFAAGKGHSQQLDNSNCIACHNSDWTAELHTAKTTATKNLINQYGIETTSTINTETK--------AATISVQVVDANGT-----AVDLKTILPKVQRLEIITNVGPNNATLGYSGKDSIFAIKNGALDPKATINDAGKLTTKDLKLGQNGADSDTAFSFVGWSMCSSEGKFVDCADPAFDGVDVTKYTGMKADLAFATLSGKAPSTRH-----VDSVNMTACANCHTAEFEIHKGKQHAGFVMTEQLSHTQDANGKAIVGLDACV--TCHTPDGTYSFANRGALEHVEDAYGLIGGNCASCHSDFNLKGALNTAAAADKTGLYSTPITAT--TVGSQYMVHTKETLESFGAVVDGTKDDATSAAQSETPTHTKVK----------------------------

1i5pA

0.09

0.99

1.09

Env-PPAS

MEWKRTDHSLYVAPVVGTVSSFLLKKVGSLIGKRILSELWGIIFPSGSTNLMQDILRETEQFLNNTDTLARVNAELIGLQANIREFNQQQNPVPLSITSSVNTMQQLFLNRLPQGYQLLLLPLFAQAANMHLSFIRDVILNADISAATLRTYRDYLRNYTRDYSNYCINTYQTAFRGLNTRLDMLEFRTYMFLNVFEYVSSLFKYQSLMVSSGANLYASGSGPQQTQSFTAQNWPFLYSLFQVNSNYILSGISGTRLSITFPNIGGLPGSTTTHSLNSGGVSSGLIGATNLNHNFNCSTVLPPLSTPFVRSWLDSGTDREGVATSTNWQTESFQTTLSLRCGAFSARGNSNYFPDYFIRNISGVPLVIRNEDLTRPLHYNQIRNIESPSGTPGGARA--YLVSVHNRKNNINENGTMIHLAPEDYTGFTISPIHATQVNNQTRT---FISEKFGNQGDSLRFEQSNTTARYTLRGNRVSSIGNSTIRVTINGRVYTVSNVNTTTNNDGVNDNGARFSDINIGNIVASDNTNVTLDINVTLNSGTPNLPPL

5cwqA

0.13

0.05

0.42

1.08

dPPAS2

----------------------------------------------------------EELERESEEAERRLQEARKRSEEARERGDLKELAEALIEEARAVQELARVACERGNSEEAERASEKAQRVLEEARKVSEEAREQGDDEVLALALIAIALAVLALAEVACCRSEEAERASEKAQRVLEEARKVSEEAREQGDDEVLALALIAIALAVLALAEVACCRGNKEEAER--AYEDARRVEEEARKVKESAEEQGDSEVKRLAEEAEQLAREARRHVQECRGGWLEHHH-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

(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=-3.87

Estimated TM-score = 0.30±0.10

Estimated RMSD = 17.5±2.6Å

Download Model 2

C-score=-3.92

Download Model 3

C-score=-2.88

Download Model 4

C-score=-3.15

Download Model 5

C-score=-3.96

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	1ciyA	0.693	4.99	0.057	0.867
2	4w8jA	0.679	4.89	0.050	0.846
3	3eb7A	0.668	5.20	0.072	0.855
4	1dlcA	0.664	5.32	0.061	0.855
5	1ji6A	0.664	5.17	0.069	0.847
6	2c9kA	0.662	5.50	0.075	0.864
7	1i5pA	0.605	5.42	0.073	0.789
8	1w99A	0.579	5.62	0.059	0.764
9	4d8mA	0.531	6.36	0.047	0.747
10	3x0uA	0.497	5.52	0.051	0.654

(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	0.15	9	3eubS	FES	Rep, Mult	410,411,414,415,416,417,419
2	0.10	6	3knvA	ZN	Rep, Mult	411,416,427,445
3	0.05	3	3c63D	CA	Rep, Mult	63,64
4	0.03	2	2ckjC	FES	Rep, Mult	430,431,439,441,443,444,445,446
5	0.02	1	1z8pA	OXY	Rep, Mult	111,115
6	0.02	1	4qfiA	ZN	Rep, Mult	258,449
7	0.02	1	1ovrC	MN	Rep, Mult	59,63
8	0.02	1	3llxA	ZN	Rep, Mult	427,445
9	0.02	1	4buoA	GLY	Rep, Mult	18,80,84
10	0.02	1	4v1uA	III	Rep, Mult	203,207
11	0.02	1	1zrtE	SMA	Rep, Mult	445,449
12	0.02	1	3m9iA	3PE	Rep, Mult	74,78
13	0.02	1	2dysO	CDL	Rep, Mult	72,76,79,80,83

	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	2rnpC	0.294	7.53	0.023	0.469	2.7.7.6	NA
2	0.060	3b9jI	0.137	5.94	0.045	0.195	1.17.1.4,1.17.3.2	112,140
3	0.060	2cqsA	0.370	7.57	0.060	0.600	2.4.1.20	NA
4	0.060	2np0A	0.334	7.58	0.033	0.540	3.4.24.69	NA
5	0.060	2ok5A	0.329	8.14	0.048	0.571	3.4.21.47	NA
6	0.060	2ckjA	0.324	7.83	0.052	0.545	1.17.1.4,1.17.3.2	NA
7	0.060	1s76D	0.272	7.88	0.047	0.453	2.7.7.6	NA
8	0.060	1rs0A	0.243	7.66	0.045	0.395	3.4.21.47	145,173
9	0.060	2ow6A	0.326	8.15	0.037	0.558	3.2.1.114	NA
10	0.060	3iayA	0.331	8.10	0.055	0.576	2.7.7.7	NA
11	0.060	1t3tA	0.361	7.91	0.049	0.609	6.3.5.3	NA
12	0.060	2jguA	0.314	8.25	0.029	0.551	2.7.7.7	109
13	0.060	1mswD	0.262	7.69	0.025	0.431	2.7.7.6	NA
14	0.060	2j5wA	0.377	7.45	0.037	0.606	1.16.3.1	NA
15	0.060	1tgoA	0.334	8.02	0.043	0.571	2.7.7.7	NA
16	0.060	2vdcA	0.350	7.96	0.038	0.593	1.4.1.13	NA
17	0.060	3b9jJ	0.209	6.00	0.039	0.293	1.17.1.4,1.17.3.2	349,418
18	0.060	1h54B	0.379	7.53	0.030	0.616	2.4.1.8	421
19	0.060	2pflA	0.335	7.92	0.047	0.558	2.3.1.54	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	0.10	0.693	4.99	0.06	0.87	1ciyA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
1	0.09	0.679	4.89	0.05	0.85	4w8jA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
2	0.09	0.668	5.20	0.07	0.85	3eb7A	GO:0005102 GO:0006952 GO:0009405 GO:0030435
3	0.09	0.664	5.32	0.06	0.85	1dlcA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
4	0.08	0.664	5.17	0.07	0.85	1ji6A	GO:0005102 GO:0006952 GO:0009405 GO:0030435
5	0.07	0.662	5.50	0.07	0.86	2c9kA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
6	0.07	0.627	5.70	0.06	0.83	4moaA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
7	0.07	0.605	5.42	0.07	0.79	1i5pA	GO:0005102 GO:0006952 GO:0009405 GO:0030435
8	0.07	0.531	6.36	0.05	0.75	4d8mA	GO:0009405 GO:0030435
9	0.06	0.212	7.15	0.02	0.33	3j8gX	GO:0000027 GO:0000166 GO:0003924 GO:0005525 GO:0005829 GO:0032794 GO:0042254 GO:0043022
10	0.06	0.192	6.95	0.03	0.29	5an9A	GO:0000027 GO:0003735 GO:0005615 GO:0005622 GO:0005737 GO:0005840 GO:0006412 GO:0022625 GO:0030529
11	0.06	0.228	7.46	0.04	0.37	5e24E	GO:0000122 GO:0000978 GO:0000980 GO:0000982 GO:0001077 GO:0001078 GO:0001709 GO:0003677 GO:0003700 GO:0005634 GO:0005700 GO:0005737 GO:0006351 GO:0006355 GO:0006366 GO:0007219 GO:0007252 GO:0007275 GO:0007451 GO:0007616 GO:0008356 GO:0008586 GO:0016360 GO:0017053 GO:0030097 GO:0042683 GO:0042688 GO:0043234 GO:0043565 GO:0045892 GO:0045893 GO:0045944 GO:0046331 GO:0048190 GO:1900087
12	0.06	0.215	7.05	0.03	0.33	1t5cA	GO:0000166 GO:0000278 GO:0000775 GO:0000776 GO:0000777 GO:0000779 GO:0000940 GO:0003777 GO:0005524 GO:0005634 GO:0005694 GO:0005737 GO:0005819 GO:0005829 GO:0005856 GO:0005871 GO:0005874 GO:0006890 GO:0007018 GO:0007049 GO:0007059 GO:0007062 GO:0007067 GO:0007079 GO:0007080 GO:0007275 GO:0008017 GO:0015630 GO:0016020 GO:0016887 GO:0019886 GO:0030071 GO:0030496 GO:0043515 GO:0045860 GO:0051301 GO:0051315 GO:0051382 GO:1990023
13	0.06	0.189	7.50	0.03	0.31	3n9sA	GO:0003824 GO:0004332 GO:0005975 GO:0006096 GO:0008270 GO:0016829 GO:0016832 GO:0030388 GO:0046872
14	0.06	0.188	7.23	0.05	0.30	2iewA	GO:0000122 GO:0000166 GO:0000821 GO:0000823 GO:0000824 GO:0000825 GO:0000827 GO:0005524 GO:0005634 GO:0006351 GO:0006355 GO:0006525 GO:0008440 GO:0016236 GO:0016301 GO:0016310 GO:0016740 GO:0030674 GO:0032958 GO:0035004 GO:0045944 GO:0046854 GO:0046872 GO:0050821
15	0.06	0.163	4.99	0.05	0.21	4wpeA	GO:0000142 GO:0000144 GO:0000281 GO:0000917 GO:0005737 GO:0005856 GO:0005935 GO:0007049 GO:0007067 GO:0008092 GO:0044697 GO:0051301 GO:0090339
16	0.06	0.126	5.91	0.05	0.17	3km5A	GO:0006508 GO:0008233 GO:0008234 GO:0009405 GO:0016787
17	0.06	0.127	3.31	0.04	0.14	3ajwA	GO:0003774 GO:0005886 GO:0006810 GO:0006935 GO:0009288 GO:0015031 GO:0016020 GO:0044781 GO:0071973
18	0.06	0.122	5.01	0.08	0.16	2fioA	GO:0003677 GO:0003899 GO:0006351 GO:0006355 GO:0016987

Consensus prediction of GO terms

Molecular Function	GO:0005102
GO-Score	0.38
Biological Processes	GO:0030435	GO:0006952	GO:0009405
GO-Score	0.38	0.38	0.38
Cellular Component
GO-Score

(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.