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 1BIB Chain:A ((18-317)) ---------------EFHSGEQLGETLGMSRAAINKHIQTLRDWGVDVFTVPGKGYSLPEPIQLLNAKQILGQLDGGS----VAVLPVIDSTNQYLLDRIGELKSGDAC----IAEYQQAGRGR------SPFGANLYLSMFWRLEQ-PAAAIGLSLVIGIVMAEVLRKLGADKVRVKWPNDLYLQDRKLAGILVE--LTG----AAQIVIGAGINMAM-----------WITLQEAGINLDRNTLAAMLIRELRAALELFEQEGLAPYLSRWEKLDNFINRPVKLIIGDKEIFGISRGIDKQGALLLEQDGIIKPWM-GGEISLR---

General information: TITO was launched using: RESULT: Template: 1BIB.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 : 1321 -5940 -4.50 -22.84 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -4.50 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.469

(partial model without unconserved sides chains): PDB file : Tito_1BIB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BIB-query.scw PDB file : Tito_Scwrl_1BIB.pdb: