Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALFNSTSWAKYSVIAASLAGVMMLGGCAKKEEHTTTTLNIGYQKYGIL---PILKA-RGDLEKALKDQGVQVKWVEFPAGPQLLEGLNVGSVSLGEAGEAPPIFAQAANPNLVYVANQPAAPKAEALLVQKDSPIQSIKDL-KGKRVALNK-GSNVHYLLLKVLEANHLSLSDIQPVYLPPSDARAAFEKEAVDAWVIWDPFFAAAEHQIQARVLATGENLV--SNHQFYLADRKFAENNPKVLNTVVQTLNQTTQWVSTHQDEAAKLLEKPTALEFDVLKTSISRMGFGVQPISDKVAQEQQYVADAFYAQKLIPNKLTIQEAILKLK 3UN6 Chain:A ((51-333)) -----------------------------------QQVIKIGYLPITHSANLMMTKKLLSQYN----HPKYKLELVKFNNWPDLMDALNSGRIDGASTLIELAMKSKQKGSNIKAVALG--HHEGNVIMGQKGMHLNEFNNNGDDYHFGIPHRYSTHYLLLEELRKQLKIKPGHFSYHEMSPAEMPAALSEHRITGYSVAEPFGALGEKLGKGKTLKHGDDVIPDAYCCVLVLRGELLDQHKDVAQAFVQDYKKSG-FKMNDRKQSVDIMTHHFKQSRDVLTQSAAWTSYG---DLTIKPSGYQEITTLVKQHHLFN-PPAYDDFVEPS-

General information: TITO was launched using: RESULT: Template: 3UN6.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 : 1604 73120 45.59 265.89 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 45.59 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_3UN6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UN6-query.scw PDB file : Tito_Scwrl_3UN6.pdb: