Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTYDAIIIGSGVSGLSAAYGLKEAGKTVLVVEEDLWGGTCPNRGCDPKKVLLSAVEARNRVK-QLSGKGFNEIPTANWEELQKFKRTFTDPVPESRKKQLAE-AEIDHLSGTARFLDDSSIEV---N--EEVFHADYLVLATGQRPTILPVEG-KEYLKTSADFLSLPVLPKEIIFIGGGYIAFELATIANAAGSKVTIVHHNQRPLKEFEASLVEEAVHQMEASGIQFAFGVETQKIISEGTRYRLV--GK--ETELVADMIFCATGRQPNTESLALEQANIVF-DKHGIAVNDYLQTSNPKIFACGDIVSRKTPKLTPVATFEGNYVAKRITDATS-EPIKYPIIPTIVYASPKLAEVGVTKSHASSS--D-QVVEMDL---TSWFTYHRVNEPVAKAELTFDQ-QNYLIGAAVISEQADELIDDLTLVINQKLTKKELDSYIMGYPTLASDLSYLLK 4M52 Chain:B ((3-457)) MTHYDVVVLGAGPGGYVAAIRAAQLGLSTAIVEPKYWGGVCLNVGCIPSKALLRNAELVHIFTKDAKAFGISGEVTFDYGIAYDRSRKVAEGRVA-GVHFLMKKNKITEIHGYGTFADANTLLVDLNDGGTESVTFDNAIIATGSSTRLVPGTSLSANVVTYEEQILSRELPKSIIIAGAGAIGMEFGYVLKNYGVDVTIVEFLPRALPNEDADVSKEIEKQFKKLGVTILTATKVESIADGGSQVTVTVTKDGVAQELKAEKVLQAIGFAPNVEGYGLDKAGVALTDRKAIGVDDYMRTNVGHIYAIGDVN--GLLQLAHVAEAQGVVAAETIAGAETLTLGDHRMLPRATFCQPNVASFGLTEQQARNEGYDVVVAKFPFTANAKAHGVG---DPSGFVKLVADAKHGELLGGHLVGHDVAELLPELTLAQRWDLTASELARNVHTHPTMSEALQECFH

General information: TITO was launched using: RESULT: Template: 4M52.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 : 2518 -4055 -1.61 -9.34 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -1.61 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_4M52.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M52-query.scw PDB file : Tito_Scwrl_4M52.pdb: