Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | ------------------------------------MSIAEDITQLIGRTPLVRLRRVTD--GAVADIVAKLEFFNPANSVKDRIGVAMLQAAEQAGLIKPDTIILEPTSGNTGIALAMVCAARGYRCVLTMPETMSLERRMLLRAYGAELILTP---GADGMSGAIAKAEELAKTDQRYFVPQQFENPANPAIHRVTTAEEVWRDTDGKVDIVVAGVGTGGTITGVAQVIKERKPSARFVAVEPAASPV-----LSGGQKGPHPIQGIGAGFVPPVLDQDLVDEIITVGNEDALNVARRLAREEGLLVGISSGAATVAALQVARRPENAGKLIVVVLPDFGERYLSTPLFADVAD----------------------------------------------------------------------------------------------------------------------------------------------------- |
| 3PC3 Chain:A ((12-515)) | YERPADFIDPGKPSKCKWHLGTAEKSPHIHRGIAHRQQITPNILEVIGCTPLVKLNNIPASDGIECEMYAKCEFLNPGGSVKDRIGYRMVQDAEEQGLLKPGYTIIEPTSGNTGIGLAMACAVKGYKCIIVMPEKMSNEKVSALRTLGAKIIRTPTEAAYDSPEGLIYVAQQLQRETPNSIVLDQYRNAGNPLAHYDGTAAEILWQLDNKVDMIVVSAGTAGTISGIGRKIKEQVPSCQIVGVDPYGSILARPAELNKTDVQFYEVEGIGYDFPPTVFDDTVVDVWTKIGDSDCFPMSRRLNAEEGLLCGGSSGGAMHAALEHARKLKK-GQRCVVILPDGIRNYMTKFVSDNWMEARNFKEPVNEHGHWWWSLAIAELELPAPPVILKSDATVGEAIALMKKHRVDQLPVVDQDDGSVLGVVGQETLITQIVSMNRQQSDPAIKALNKRVIRLNESEILGKLARVLEVDPSVLILGKNPAGKVELKALATKLDVTTFIAAGKQK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PC3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -143773 for 2904 contacts (-49.5/contact) +
2D Compatibility (PS) -34500 + (NN) -21349 + (LL) 144
1D Compatibility (HY) -23200 + (ID) 6650
Total energy: -229328.0 ( -78.97 by residue)
QMean score : 0.495
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