Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMLPLYVTSGEPAGIGPDICLSLAKRV-DERPVVVLADRNLLHQRAQKLGLDIKFLEYS-GQAESS-LQGELYIEHVPLETIVVDGQLNAANAAYVLEQLRRSADYAMSGKSVGVATAPVQKSVINDAGILFSGHTEYYQEFAGVERVVMMLATKTLRVALATTHLPLRDVADAITKERLHQVIDILLRDLKTKFKINDPRVLVCGLNPHAGEDGYLGREEIDTINPVLESYRSQGVKLSLSLPADTLFTPEHLKNADAVLAMYHDQGLPVLKSQGFGEAINITLGLPFIRTSVDHGTALSLAGTGLAKSSSLNVAADLALSLAAS
1PTM Chain:A ((4-327))TQRVVITPGEPAGIGPDLVVQ-LAQREWPVELVVCADATLLTNRAAMLGLPLTLRPYSPNSPAQPQTAGTLTLLPVALRAPVTAGQLAVENGHYVVETLARACDGCLNGEFAALITGPVHKGVINDAGIPFTGHTEFFEERSQAKKVVMMLATEELRVALATTHLPLRDIADAITPALLHEVIAILHHDLRTKFGIAEPRILVCGLNPHAGEGGHMGTEEIDTIIPVLNELRAQGMKLNGPLPADTLFQPKYLDNADAVLAMYHDQGLPVLKYQGFGRGVNITLGLPFIRTSVDHGTALELAGRGKADVGSFITALNLAIKMIVN


General information:
TITO was launched using:
RESULT:

Template: 1PTM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1850 -29635 -16.02 -92.32
target 2D structure prediction score : 0.66
Monomeric hydrophicity matching model chain A : 0.85

3D Compatibility (PKB) : -16.02
2D Compatibility (Sec. Struct. Predict.) : 0.66
1D Compatibility (Hydrophobicity) : 0.85
QMean score : 0.608

(partial model without unconserved sides chains):
PDB file : Tito_1PTM.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1PTM-query.scw
PDB file : Tito_Scwrl_1PTM.pdb: