Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKMKKIDILSRLKNAGVIAVVRGKSKEEALNACHAIIKGGLTGIELTFTVPQADQVIKELLSFYKDQPEIVIGAGTVLDAVTARLAILAGAEYIVSPSFDQETAEMCNLYQIPYLPGCMTITEIKTALKSGVDIVKLFPGSAYGPSIISAFKAPMPQ-VNIMPTGGVSLDNMKEWFDAGVVTVGVGGNLLAPAATGDFDKVTEVAQQYAAKMKEIKR--------------------------------------------------------------------- 4QCC Chain:A ((5-274)) -------------TKLPLIAILRGITPDEALAHVGAVIDAGFDAVEIPLNSPQWEQSIPAIVDAYGDKA--LIGAGTVLKPEQVDALARMGCQLIVTPNIHSEVIRRAVGYGMTVCPGCATATEAFTALEAGAQALKIFPSSAFGPQYIKALKAVLPSDIAVFAVGGVTPENLAQWIDAGCAGAGLGSDLYRAG--QSVERTAQQAAAFVKAYREAQKQKEQRQDQKSAYALGASLGRYMENSLKEQEKLGIKLDKDQLIAGVQDAFADKSKLSDQEIEQTLQAFEA

General information: TITO was launched using: RESULT: Template: 4QCC.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 : 1177 -143668 -122.06 -718.34 target 2D structure prediction score : 0.82 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -122.06 2D Compatibility (Sec. Struct. Predict.) : 0.82 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.625

(partial model without unconserved sides chains): PDB file : Tito_4QCC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QCC-query.scw PDB file : Tito_Scwrl_4QCC.pdb: