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I-TASSER results for job id Rv0381c

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

 Input Sequence in FASTA format
 Predicted Secondary Structure
 Predicted Solvent Accessibility
 Predicted Normalized B-facotr
 Top 10 threading templates used by I-TASSER
 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.)
 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.)


 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
10.09 5 1hj4B DHE Rep, Mult 165,166,168,201,202,214,237,238,239,278
20.07 4 4agiC SFU Rep, Mult 128,141,150,152,153,175,185,191
30.06 3 4rku4 CLA Rep, Mult 281,284
40.02 1 3p1lA NA Rep, Mult 134,135,153,156
50.02 1 1hzuA DHE Rep, Mult 112,113,115,164,167,201,203,237
60.02 1 3anuA ZN Rep, Mult 269,275
70.02 1 3b8iB MG Rep, Mult 64,66
80.02 1 3cisB MG Rep, Mult 199,280
90.02 1 2ddsB CO Rep, Mult 48,95
100.02 1 2b0qA MG Rep, Mult 199,216
110.02 1 1m32A PLP Rep, Mult 203,204
120.02 1 3bwxA CA Rep, Mult 200,202
130.02 1 3ia7A CA Rep, Mult 274,279
140.02 1 3jb9L NUC Rep, Mult 139,159,194,196,224
150.02 1 1dwaM MAN Rep, Mult 277,280
160.02 1 1pjxA DXE Rep, Mult 62,297,298
170.02 1 3lotA UNL Rep, Mult 67,92,130
180.02 1 3lv4A CA Rep, Mult 167,295

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

RankCscoreECPDB
Hit
TM-scoreRMSDaIDENaCovEC NumberActive Site Residues
10.0603gvjA0.5355.370.0520.7853.2.1.129262
20.0601w6sC0.6314.460.0770.8411.1.99.8NA
30.0602ebsB0.5545.160.0860.8013.2.1.150NA
40.0602h47H0.5464.710.0780.7651.4.99.4NA
50.0602gc7A0.5494.540.0890.7451.4.99.3121
60.0601r9mB0.4515.250.0550.6623.4.14.5NA
70.0601kitA0.5525.890.0670.8743.2.1.18NA
80.0601kb0A0.6344.560.0570.8581.1.99.-NA
90.0601fwxA0.5734.420.0690.7651.7.99.6127,152
100.0602madH0.5464.570.0620.7481.4.99.3169
110.0601lrwC0.6344.500.0680.8511.1.99.8NA
120.0602w68C0.2465.660.0640.3713.2.1.18177,188
130.0602gbcA0.4685.120.0460.6523.4.14.5,3.4.15.5NA
140.0602jkbA0.5145.600.0340.7713.2.1.18,4.2.2.15NA
150.0602d5lA0.5155.190.0550.7353.4.14.-NA
160.0603elqB0.5655.410.0530.8282.8.2.22189
170.0601g72A0.6304.640.0790.8541.1.99.86,146
180.0602d0vA0.6344.260.0490.8381.1.99.8NA
190.0601ri6A0.5794.350.0630.7683.1.1.31NA

(a)CscoreEC is the confidence score for the EC number prediction. CscoreEC 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)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa 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

Homologous GO templates in PDB 
RankCscoreGOTM-scoreRMSDaIDENaCovPDB HitAssociated GO Terms
00.150.5814.360.070.764pk1A GO:0007155 GO:0009279 GO:0016020 GO:0016021 GO:0019867 GO:0042802 GO:0043165 GO:0051205 GO:0071709 GO:1990063
10.120.5784.570.070.783jb9K GO:0000974 GO:0005634 GO:0005662 GO:0005681 GO:0006397 GO:0008380 GO:0045292 GO:0071011 GO:0071013 GO:0080008
20.110.6404.390.090.841yiqA GO:0005509 GO:0009055 GO:0016020 GO:0016491 GO:0016614 GO:0020037 GO:0042597 GO:0046872 GO:0055114 GO:0070968
30.080.6344.570.070.861kv9A GO:0005509 GO:0009055 GO:0016020 GO:0016491 GO:0016614 GO:0020037 GO:0030288 GO:0042597 GO:0046872 GO:0055114 GO:0070968
40.080.5814.770.070.784aahA GO:0005509 GO:0005886 GO:0015945 GO:0016020 GO:0016491 GO:0016614 GO:0030288 GO:0046872 GO:0052930 GO:0052931 GO:0052932 GO:0052933 GO:0055114
50.080.6344.560.090.861flgA GO:0005509 GO:0006069 GO:0016020 GO:0016491 GO:0016614 GO:0018468 GO:0030288 GO:0042597 GO:0046872 GO:0052934 GO:0052935 GO:0052936 GO:0055114
60.080.6404.380.070.844maeA GO:0005509 GO:0016020 GO:0016491 GO:0016614 GO:0052930 GO:0052931 GO:0052932 GO:0052933 GO:0052934 GO:0052935 GO:0052936 GO:0055114
70.070.6314.650.080.861lrwA GO:0005509 GO:0015945 GO:0016020 GO:0016491 GO:0016614 GO:0030288 GO:0042597 GO:0046872 GO:0052930 GO:0052931 GO:0052932 GO:0052933 GO:0055114
80.070.6374.430.090.844tqoA GO:0005509 GO:0015946 GO:0016020 GO:0016614 GO:0018468 GO:0030288 GO:0046872 GO:0055114
90.070.6314.460.080.841w6sC GO:0005509 GO:0005886 GO:0015945 GO:0016020 GO:0016491 GO:0016614 GO:0030288 GO:0046872 GO:0052930 GO:0052931 GO:0052932 GO:0052933 GO:0055114
100.070.5984.690.120.814hdjA GO:0009279 GO:0016020 GO:0043165 GO:0051205
110.070.6344.260.050.842d0vA GO:0005509 GO:0016020 GO:0016614 GO:0030288 GO:0046872 GO:0055114
120.070.6314.580.070.864cvbA GO:0046872
130.070.6354.550.060.861kb0A GO:0005509 GO:0009055 GO:0016020 GO:0016491 GO:0016614 GO:0020037 GO:0030288 GO:0042597 GO:0046872 GO:0055114
140.070.5914.530.070.791gjqA GO:0009055 GO:0016491 GO:0020037 GO:0042597 GO:0046872 GO:0050418 GO:0050421 GO:0055114
150.070.5894.350.090.784immA GO:0009279 GO:0016020 GO:0043165 GO:0046872 GO:0051205
160.070.5874.450.060.783jcrL GO:0000375 GO:0000398 GO:0005634 GO:0005654 GO:0005681 GO:0006396 GO:0006397 GO:0008380 GO:0015030 GO:0016607 GO:0017070 GO:0030621 GO:0046540 GO:0071001 GO:0097525
170.070.6074.490.100.804v6iAa GO:0001403 GO:0001965 GO:0004871 GO:0005092 GO:0005737 GO:0007186 GO:0010255 GO:0017148 GO:0022627 GO:0050790 GO:2001125
180.070.5894.690.060.804v6wAg GO:0000398 GO:0005080 GO:0005737 GO:0005776 GO:0005829 GO:0005875 GO:0007626 GO:0009267 GO:0016243 GO:0018991 GO:0035220 GO:0042335 GO:0044829 GO:0045725 GO:0046716 GO:0048477 GO:0071011 GO:0071013 GO:0075522
190.070.5655.040.040.801yfqA GO:0000778 GO:0005634 GO:0007049 GO:0007094 GO:0033597 GO:0043130 GO:0044774 GO:1990298
200.070.5864.780.090.805it9g GO:0000747 GO:0001403 GO:0001965 GO:0004871 GO:0005080 GO:0005092 GO:0005737 GO:0007186 GO:0010255 GO:0017148 GO:0022627 GO:0031139 GO:0031954 GO:0032995 GO:0034613 GO:0035556 GO:0043022 GO:0050790 GO:0060733
210.070.5634.870.050.793ow8C GO:0005634 GO:0005654 GO:0005737 GO:0006351 GO:0006355 GO:0016055 GO:0016593 GO:0032968 GO:0035327 GO:0045638 GO:0045944 GO:0051571 GO:0055087 GO:0080182 GO:2001162
220.070.5624.730.060.773jb9L GO:0005634 GO:0005681 GO:0005682 GO:0006397 GO:0008380 GO:0045292
230.070.5804.730.050.815a9q2 GO:0000775 GO:0000776 GO:0000777 GO:0005634 GO:0005635 GO:0005643 GO:0005654 GO:0005694 GO:0005829 GO:0006406 GO:0006409 GO:0006810 GO:0007049 GO:0007059 GO:0007062 GO:0007067 GO:0007077 GO:0010827 GO:0015031 GO:0016032 GO:0016925 GO:0019083 GO:0031047 GO:0031080 GO:0051028 GO:0051301 GO:0075733 GO:1900034
240.070.5604.930.050.794g56D GO:0005634 GO:0005737 GO:0005829 GO:0034709 GO:0035097
250.070.5754.510.050.765flcD GO:0005654 GO:0005737 GO:0005829 GO:0007050 GO:0016236 GO:0030838 GO:0031295 GO:0031931 GO:0031932 GO:0032008 GO:0032956 GO:0043087 GO:0048015 GO:0050731 GO:1900034
260.070.6194.510.070.821r5mA GO:0003714 GO:0005634 GO:0006355 GO:0006357 GO:0016568 GO:0016575 GO:0031939 GO:0032874 GO:0034967 GO:0045835 GO:1903507
270.070.5874.700.070.805a2qg GO:0001649 GO:0001891 GO:0001934 GO:0005080 GO:0005102 GO:0005634 GO:0005737 GO:0005739 GO:0005829 GO:0005886 GO:0005913 GO:0006417 GO:0006915 GO:0006919 GO:0007049 GO:0007275 GO:0007369 GO:0008200 GO:0008656 GO:0010629 GO:0010803 GO:0015935 GO:0016020 GO:0016032 GO:0017148 GO:0019899 GO:0019903 GO:0030178 GO:0030292 GO:0030308 GO:0030335 GO:0030425 GO:0030496 GO:0030822 GO:0030971 GO:0032436 GO:0032464 GO:0032880 GO:0032947 GO:0033137 GO:0035591 GO:0040008 GO:0042169 GO:0042803 GO:0042995 GO:0042998 GO:0043005 GO:0043025 GO:0043065 GO:0043204 GO:0043547 GO:0044297 GO:0044822 GO:0048471 GO:0048511 GO:0050765 GO:0051302 GO:0051343 GO:0051726 GO:0051898 GO:0051901 GO:0061099 GO:0070062 GO:0071333 GO:0071363 GO:0090003 GO:0098609 GO:0098641 GO:1900102 GO:1903208 GO:1990630 GO:2000114 GO:2000304 GO:2000543 GO:2001244
280.070.6104.530.060.814lg9A GO:0000118 GO:0000122 GO:0002021 GO:0003677 GO:0003714 GO:0005634 GO:0005654 GO:0005876 GO:0006351 GO:0006355 GO:0008013 GO:0010468 GO:0016042 GO:0016568 GO:0016575 GO:0017053 GO:0030814 GO:0035264 GO:0042393 GO:0043161 GO:0044212 GO:0044255 GO:0045892 GO:0045893 GO:0045944 GO:0047485 GO:0050872 GO:0060070 GO:0060612 GO:0060613 GO:0090207
290.070.5664.980.070.805emkB GO:0000387 GO:0005634 GO:0005654 GO:0005737 GO:0005794 GO:0005829 GO:0006357 GO:0008284 GO:0008285 GO:0008327 GO:0016274 GO:0030374 GO:0034709 GO:0035246 GO:0060528 GO:0060770
300.070.5784.600.060.785hqgA GO:0000139 GO:0004842 GO:0005634 GO:0005654 GO:0005737 GO:0005813 GO:0005829 GO:0005925 GO:0008270 GO:0010212 GO:0016567 GO:0016607 GO:0016874 GO:0032436 GO:0046872 GO:0061630
310.070.5745.030.050.815igoC GO:0000152 GO:0004842 GO:0005634 GO:0005737 GO:0006281 GO:0008270 GO:0009585 GO:0009640 GO:0009641 GO:0009647 GO:0009649 GO:0010017 GO:0010119 GO:0016567 GO:0016604 GO:0016874 GO:0032436 GO:0042802 GO:0046283 GO:0046872 GO:0048573 GO:0061630 GO:0080008
320.070.5994.420.080.791erjC GO:0000122 GO:0000123 GO:0000433 GO:0001191 GO:0001198 GO:0005634 GO:0006351 GO:0006355 GO:0007070 GO:0008023 GO:0016584 GO:0017053 GO:0033588 GO:0035955 GO:0036033 GO:0042393 GO:0042826 GO:0043486 GO:0080025 GO:2000217 GO:2000531 GO:2001020
330.070.5644.600.100.764yvdA GO:0000398 GO:0000974 GO:0005634 GO:0005654 GO:0005662 GO:0005681 GO:0005730 GO:0006397 GO:0008380 GO:0016607 GO:0031965 GO:0034504 GO:0071011 GO:0071013 GO:0080008 GO:1900087
340.070.5944.890.090.824btsAR GO:0005840
350.070.5833.870.050.744aezA GO:0000070 GO:0005634 GO:0007049 GO:0007067 GO:0010997 GO:0032153 GO:0033597 GO:0034613 GO:0044732 GO:0051301 GO:0072686 GO:0097027 GO:1904668
360.070.5744.700.070.803pe7A GO:0016829 GO:0045490 GO:0046872 GO:0047487
370.070.5784.530.070.771vyhC GO:0000132 GO:0000226 GO:0000235 GO:0000776 GO:0001667 GO:0001675 GO:0001764 GO:0001961 GO:0005634 GO:0005635 GO:0005737 GO:0005813 GO:0005815 GO:0005819 GO:0005829 GO:0005856 GO:0005871 GO:0005874 GO:0005875 GO:0005938 GO:0006629 GO:0006810 GO:0007017 GO:0007049 GO:0007067 GO:0007097 GO:0007268 GO:0007275 GO:0007399 GO:0007405 GO:0007420 GO:0007611 GO:0008017 GO:0008090 GO:0008344 GO:0009306 GO:0010977 GO:0015630 GO:0016020 GO:0016042 GO:0016477 GO:0017145 GO:0019226 GO:0021540 GO:0021766 GO:0021819 GO:0021895 GO:0021987 GO:0030036 GO:0030154 GO:0030424 GO:0030426 GO:0031023 GO:0031252 GO:0031512 GO:0031965 GO:0031982 GO:0032403 GO:0032420 GO:0036035 GO:0040019 GO:0042249 GO:0042803 GO:0043005 GO:0043025 GO:0043087 GO:0043622 GO:0045502 GO:0045505 GO:0045773 GO:0045931 GO:0046329 GO:0047496 GO:0048471 GO:0048854 GO:0050885 GO:0051081 GO:0051130 GO:0051219 GO:0051301 GO:0051660 GO:0051661 GO:0060117 GO:0061003 GO:0070062 GO:0070507 GO:0090102 GO:0090176 GO:1904115 GO:2000574
380.070.5784.630.070.784j87A GO:0000139 GO:0005198 GO:0005737 GO:0005794 GO:0006810 GO:0006886 GO:0006888 GO:0006890 GO:0006891 GO:0015031 GO:0016020 GO:0016192 GO:0030117 GO:0030126 GO:0030137
390.070.5704.700.080.783jcrD GO:0000375 GO:0000398 GO:0005634 GO:0005654 GO:0005681 GO:0005682 GO:0005732 GO:0005737 GO:0006396 GO:0006397 GO:0008380 GO:0044822 GO:0071011 GO:0071013
400.070.5464.020.070.703fm0A GO:0006357 GO:0007059 GO:0008284 GO:0016226 GO:0071817 GO:0097361
410.070.5874.190.050.773gfcA GO:0000790 GO:0000978 GO:0000980 GO:0004407 GO:0005634 GO:0005654 GO:0006260 GO:0006335 GO:0006336 GO:0006338 GO:0006351 GO:0006355 GO:0007049 GO:0008094 GO:0008285 GO:0016568 GO:0016575 GO:0016580 GO:0016581 GO:0016589 GO:0031492 GO:0031497 GO:0033186 GO:0034080 GO:0035098 GO:0042393 GO:0042826 GO:0043044 GO:0043234 GO:0045814 GO:0051726 GO:1901796
420.070.5694.430.060.774lg8A GO:0000209 GO:0000244 GO:0000245 GO:0000398 GO:0000974 GO:0001833 GO:0004842 GO:0005634 GO:0005654 GO:0005662 GO:0005681 GO:0005737 GO:0005811 GO:0005819 GO:0005856 GO:0006281 GO:0006283 GO:0006303 GO:0006397 GO:0006974 GO:0008380 GO:0008610 GO:0010498 GO:0016020 GO:0016567 GO:0016607 GO:0016874 GO:0034450 GO:0034613 GO:0035861 GO:0042802 GO:0045665 GO:0048026 GO:0048711 GO:0061630 GO:0070534 GO:0071013 GO:0072422
430.070.5144.300.050.683eweA GO:0005634 GO:0005643 GO:0005773 GO:0005774 GO:0006810 GO:0006913 GO:0015031 GO:0016020 GO:0017056 GO:0031080 GO:0031965 GO:0035859 GO:0051028 GO:0097042 GO:1904263
440.070.5714.950.080.803w15A GO:0005053 GO:0005737 GO:0005777 GO:0005829 GO:0006810 GO:0015031 GO:0016560
450.070.5594.740.080.762hesX GO:0002098 GO:0005634 GO:0005737 GO:0005829 GO:0016226 GO:0044281 GO:0097361
460.070.5874.750.060.804a11B GO:0000109 GO:0000209 GO:0003678 GO:0004842 GO:0005634 GO:0005654 GO:0006281 GO:0006283 GO:0006289 GO:0006974 GO:0006979 GO:0008094 GO:0009411 GO:0010165 GO:0016363 GO:0016567 GO:0031464 GO:0032403 GO:0043161 GO:0043234 GO:0045739 GO:0051865
470.070.5984.590.080.804v3pSa GO:0007165
480.070.5684.820.060.782h9lA GO:0000123 GO:0001501 GO:0005622 GO:0005634 GO:0005654 GO:0005671 GO:0006351 GO:0006355 GO:0016568 GO:0018024 GO:0031175 GO:0035064 GO:0035097 GO:0035948 GO:0042800 GO:0043966 GO:0043981 GO:0043982 GO:0043984 GO:0043995 GO:0043996 GO:0044666 GO:0046972 GO:0048188 GO:0051568 GO:0071339
490.070.5824.850.050.803zwlD GO:0001731 GO:0002183 GO:0002188 GO:0003743 GO:0005737 GO:0005852 GO:0006412 GO:0006413 GO:0006446 GO:0016282 GO:0033290 GO:0043614
500.070.5814.320.080.762ce8A GO:0000122 GO:0001106 GO:0005634 GO:0005654 GO:0005730 GO:0005737 GO:0005829 GO:0006351 GO:0006355 GO:0007165 GO:0007275 GO:0008134 GO:0009887 GO:0010628 GO:0016055 GO:0030178 GO:0042802 GO:0043124 GO:0045892 GO:1904837 GO:2000811
510.070.5434.340.080.713odtA GO:0005634 GO:0005737 GO:0006303 GO:0006511 GO:0010992 GO:0043130
520.070.5654.110.110.744jxmA GO:0003723 GO:0005634 GO:0005654 GO:0005730 GO:0006364 GO:0030529 GO:0031428 GO:0032040 GO:0034511 GO:0044822
530.070.5774.610.090.771b9xA GO:0001750 GO:0003924 GO:0004871 GO:0005622 GO:0005765 GO:0005834 GO:0007165 GO:0007186 GO:0007191 GO:0007200 GO:0008283 GO:0016020 GO:0016056 GO:0022400 GO:0032403 GO:0043209 GO:0050909 GO:0051020 GO:0060041 GO:0070062 GO:0071380 GO:0071870 GO:0097381 GO:1903561
540.070.5175.090.040.733s25A GO:0016020 GO:0016021


Consensus prediction of GO terms
 
Molecular Function GO:0046872 GO:0046906 GO:0048038 GO:0031406 GO:0003824
GO-Score 0.50 0.37 0.37 0.37 0.35
Biological Processes GO:0044710
GO-Score 0.50
Cellular Component GO:0016020 GO:0030313
GO-Score 0.36 0.32

(a)CscoreGO 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)RMSDa is the RMSD between residues that are structurally aligned by TM-align.
(d)IDENa 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 CscoreGO 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.