Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSWKNWLIKINYCVYKKKRKGRMRKFLIILLLPSFLTISKVVSTEKEVVYTSKEIYYLSQSDFGIYFREKLSSPMVYGEVPVYANEDLVVESGKLTPKTSFQITEWRLNKQGIPVFKLSNHQFIAADKRFLYDQSEVTPTIKKVWLESDFKLYNSPYDLKEVKSSLSAYSQVSIDKTMFVEGREFLHIDQAGWVAKESTSEEDNRMSKVQEMLSEKYQKDSFSIYVKQLTTGKEAGINQDEKMYAASVLKLSYLYYTQEKINEGLYQLDTTVKYVSAVNDFPGSYKPEGSGSLPKKEDNKEYSLKDLITKVSKESDNVAHNLLGYYIS-NQSDATFKSKMSAIMGDDW------------DPKEKLISSKMAGKFMEAIYNQ-N-------GFVLESLTKTDFDSQRIAKGVS---VKVAHKIGDAD-EFKHDTGVVYAD--SPFILSIFTKNSDY-------DTISKIAKDVYEVLK 5VPQ Chain:A ((23-289)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NLAA-ERFEQLEASS--GGRLGVAALRTADGSYVGYRESERFPMCSTFKLLAVALILKRSMAERGLLEERIRYGDA-------QVVAHSPVTKRHAGGEGMTVGELSAAALQHSDNTAANLLLTSLGGPEVLNQFALSIG-DTWFDLVRNEPEVNASVPGDMRDTTSPRAMLLDVQKLLLADDVLGAREREQLKAWMLGNTTGATRIRAAVPAAGWLVADNTGSGDYGTANDVAVVYPPSSAPLVVAIYFTGVTPKETPPQDAIVDEAARIVFDALR

General information: TITO was launched using: RESULT: Template: 5VPQ.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 : 1190 -6792 -5.71 -29.27 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -5.71 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.398

(partial model without unconserved sides chains): PDB file : Tito_5VPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VPQ-query.scw PDB file : Tito_Scwrl_5VPQ.pdb: