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



Input alignment information:
Query sequence----MNRTLKEL-------ILAAEFAAIISVLSQMTIPF-GLVPLTGQTFA-IG------LTATFLGRKLGLISVGVYLLLGLIGL-PVFSGMTGGIAVLFGPTGGYLIGF-----LLQT----WITGWMIER---------TDAHYLYAIFANLMGSLAAL---------ICGTIWLKISGDLTFTTAFASGLLPFLLPEAIKATGAAYIGILMKKRLNRFLHTN-------------------------
3PNT Chain:A ((196-444))ERDLFEKKFKEIKDKWVTDKQADEFIETADKYADKAVQ-MSAVASRAEYYRMYVSRKYQYKKEFVEKLKQVYKESGASHVTSKKDLMLAFDDAKRKSTIGRQENGLFVTSFAEDMALLFTDQGKLKSADQIENIKGVDSGKYSDGVYQYEYDSELTKNIDKLGYIRTASGDTPGANSLNIPGCQTWSGKHIENSESELIFPSISVKDLKSKAVLAEIDAKGYFEIIDPTIIAPNGDHKKVTGRFKIKKMQD


General information:
TITO was launched using:
RESULT:

Template: 3PNT.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 : 568 -6176 -10.87 -34.69
target 2D structure prediction score : 0.39
Monomeric hydrophicity matching model chain A : 0.63

3D Compatibility (PKB) : -10.87
2D Compatibility (Sec. Struct. Predict.) : 0.39
1D Compatibility (Hydrophobicity) : 0.63
QMean score : 0.161

(partial model without unconserved sides chains):
PDB file : Tito_3PNT.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PNT-query.scw
PDB file : Tito_Scwrl_3PNT.pdb: