Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIAVKTCGKLYWAGEYAILEPGQLALIKDIPIYMRAEIAFSDSYRIYSDMFDFAVDLRPNPDYSLIQETIALMGDFLAVRGQNLRPFSLAIYGKMEREGKKFGLGSSGSVVVLVVKALLALYNLSVDQNLLFKLTSAVLLKRGDNGSMGDLACIAAEDLVLYQSFDRQKVAAWLEEENLATVLERDWGFSISQVKPTLECDFLVGWTKEVAVSSHMVQQIKQNIN------QNFLTSSKETVVSLVEALEQGKSEKIIEQVEVASKLLEGLSTDIYTPLLRQLKEASQDLQAV-AKSSGAGGGDCGIALSFDAQSTKTLKNRWADLGIELLYQERIGHDDKS 4HAC Chain:B ((21-310)) MVSCSAPGKIYLFGEHAVV-YGETAIACAVELRTRVRAELNDS--ITIQS-QIGRTGLDFEKHPYVSAVIEKMRKSI-----PINGVFLTVDSDIP---VGSGLGSSAAVTIASIGALNELFGFGLSLQEIAKLGHEIEIKVQGAASPTDTYVSTFGGVVTIPERR--KL------------------------K-TPDCGIVIGDTGVFSSTKELVANVRQLRESYPDLIEPLMTSIGKISRIGEQLVLSGDYASIGRLMNVNQGLLDALG--VNILELSQLIYSARAAGAFGAKITGAGGGGCMVALTAPE-KCNQVAEAVAGAGGKVTI----------

General information: TITO was launched using: RESULT: Template: 4HAC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1638 -141534 -86.41 -500.12 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -86.41 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.501

(partial model without unconserved sides chains): PDB file : Tito_4HAC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HAC-query.scw PDB file : Tito_Scwrl_4HAC.pdb: