Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKGKARAYTNIALIKYWGKKNEELILPMNNSLSLTLDAFYTETEVIFSDSYMVDEFYLDGTLQDEKATKKVSQFLDLFRKEAGLSLKASVISQNFVPTAAGLASSASGLAALAGACNTALKLGLDDLSLSRFARRGSGSACRSIFGGFVEWEKGHDDLSSYAKPVPSDSFEDDLAMVFVLINDQKKEVSSRNGMRRTVETSSFYQGWLDSVEGDLYQLKQAIKTKDFQLLGETMERNGLKMHGTTLAAQPPFTYWSPDSLKAMDAVRQLRKQGIPCYFTMDAGPNVKVLVENSHLSEVQETFTKLFSKEQVITAH-AGPGIAIIE 4DPW Chain:H ((10-331)) ---GKARAHTNIALIKYWGKADETYIIPMNNSLSVTLDRFYTETKVTFDPDFTEDCLILNGNEVNAKEKEKIQNYMNIVRDLAGNRLHARIESENYVPTAAGLASSASAYAALAAACNEALSLNLSDTDLSRLARRGSGSASRSIFGGFAEWEKGHDDLTSYAHGINSNGWEKDLSMIFVVINNQSKKVSSRSGMSLTRDTSRFYQYWLDHVDEDLNEAKEAVKNQDFQRLGEVIEANGLRMHATNLGAQPPFTYLVQESYDAMAIVEQCRKANLPCYFTMAAGPNVKVLVEKKNKQAVMEQFLKVFDESKIIASDIISSGVEII-

General information: TITO was launched using: RESULT: Template: 4DPW.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain H - contact count / total energy / energy per contact / energy per residue : 1894 -132714 -70.07 -413.44 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain H : 0.87 3D Compatibility (PKB) : -70.07 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_4DPW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DPW-query.scw PDB file : Tito_Scwrl_4DPW.pdb: