Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVVAFKQVDVFTSQAFKGNPVAVIMDASTLTSEQMQAIANWTNLSETTFVLPAIDSQADYQVRIFTPQSELPFAGHPTIGTAYALLEAGLVKAKEGQLVQQCAAGLVTLTVNDSNHISFEL-PKPKITPLDALQTQKLAEILKCKINTQWNAALVDVGARWVVLQAVNAKAVLASQPDLNALKQFSLEMKVTGSTIYGFYEESNEQKRIEVRSFAPAYGVNEDPVCGSGNGSVASFIRYHSILPAQNDVMLSSQGQALGREGQLQLELHQ-DKILVGGAAVTCIDGTIKL 4DUN Chain:A ((3-261)) --AMEYYIVDSFATKLFKGNPAGVCVLDRRIPLELMQKIAEENNLPETAFVVKG---KGNYELRWFTPKAEIDLCGHATLAAAYVISNFIDVN--VKKIDFFTQSGKLEVTRNGN---LYEMIF-PEIMPIEIELSPQQANLIGCV-----PSDV--YSSRDLILLLNSEQEVINYKPNYAQLRKLTDW---LGIIITAQG-S--N-TDFVSRYFCPELD-SEDPVTGSSHCNLIPYWSEKLG----KHKMVAAQLSN--RGGIIQCEVLKDNTVKISGEAVLFMQGTIKI

General information: TITO was launched using: RESULT: Template: 4DUN.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 : 1497 -114639 -76.58 -446.07 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -76.58 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_4DUN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DUN-query.scw PDB file : Tito_Scwrl_4DUN.pdb: