Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSYQAVYQILSKETDYISGEKIAEKLSLSRTSIWKAIKRLEQEGIEINSIKNRGY------KLMNGDLILPEILEENLPIKVSFKPETKSTQ---LDAKEAIDLGHEANTLYLASYQTAGRGRFQRSFYSPQGG-IYMTLHLKPNLPYDKLPSYTLLVAGAVYKAIKNLTLIDVDIKWVNDIYLNNHKIGGILTEAMTSVETGLVTDIIIGVGINFTIKDFPQELKEKA-ASLFKATAPITRNEL---IIEIWRAFFETPAEELL--YL--YKKQSFILGKEVTFTLEQKDYKGLAKDISENGKLLVQCDNGKEIWLNSGEISLNSWK 4WF2 Chain:A ((18-318)) ---------------EFHSGEQLGETLGMSRAAINKHIQTLRDWGVDVFTVPGKGYSLPEPIQLLNAKQILGQLDGGS----VAVLPVIDSTNQYLLDRIGELKSGDAC----IAEYQQAGRGRRGRKWFSPFGANLYLSMFWRLEQAPAAAIGLSLVIGIVMAEVLRKLGADKVRVKWPNDLYLQDRKLAGILVE--LT----DAAQIVIGAGINMAM----------GWITLQEAGINLDRNTLAAMLIRELRAALELFEQEGLAPYLSRWEKLDNFINRPVKLIIGDKEIFGISRGIDKQGALLLEQDGIIKPWM-GGEISLRS--

General information: TITO was launched using: RESULT: Template: 4WF2.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 : 1370 -6161 -4.50 -22.90 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -4.50 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_4WF2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WF2-query.scw PDB file : Tito_Scwrl_4WF2.pdb: