PON-Sol2

1 Variant prediction

1.1 Input Instructions

PDB file can be downloaded by providing ID. Also the chain ID has to be provided. (e.g. >1aj3-A)

Provide the variants in HGVS format, i.e. original amino acid, position number, variant amino acid (e.g. P61A).

For prediction type, users can choose between regression and classification prediction.


1.2 Output

2 Protein prediction

Predict all possible 19 single amino acid substitutions in all positions in a single protein. Provide PDB and chain id.

2.1 Input Instructions

PDB file can be downloaded by providing ID. Also the chain ID has to be provided. (e.g. >2jof-A)

For prediction type, users can choose between regression and classification prediction.

It will take a long time, please provide your email and be patient.

2.2 Output

Prediction result for all position of the protein.  example

Data sets

Extensive data mining was performed for obtaining cases for training and testing.  download

Dataset variations decreasing no effect increasing
Training dataset 762 520 136 106
Blind Test dataset 190 133 39 18

The source paper of the data sets.

PDB ID Number of variants PubMed ID
1AJ3 2 15504411
1APS 24 10542090
1BNR 19 15035606
1FKB 34 10438631
1HMK 17 15276846
1IMQ 32 12547210
1N88 17 15136744
1SCE 56 10673431
1TEN 39 10704314
1TIT 26 11377196
2ABD 30 10360367
2CI2 68 7490748
2PTL 68 10801362
3GB1 31 10932252
1CSP 22 15147842
1DIV-C 24 17240985
1DIV-N 14 16246369
1E0L 45 16784750
1FMK 57 10542092
1O6X 18 9799641
1RFA 47 17137592
1SHF 34 11786916
1SHG 14 10542091
1SS1 63 17628591
1SSO 23 11124040
1ST7 18 15690348
1UBQ 27 15857839
1W4E 22 16406408
1W4J 22 18625240
1YYJ 39 12069590

Contact

If you have any problems, please contact Chong Zhang (20205227090@stu.suda.edu.cn).