Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MKKKQVSHAIIISVML-----------SFVIAVF-HTIHASELTPLAQM--------------AEGMERQDVSIDKWTLHAK----QNLSLTEKEFYQKVQRLKQEYRQYDWVIAR-----EDKMIKAIGTYTDKKNRTSFRLQLVTTLKKHNPTSYLLYEQMSLETPDSWNDTYEQFERE--------TLGIFQEKVVIFTCLNGHLDDNMNIVLQKKANQLLNEFQARSVEHVVEPNFVSISAFTDEWEEYIMTSKHKMNLQIALRSAGMGGKHTVTVGTPIVTTEY------- 19HC Chain:A ((1-292)) AALEPTDSGAPSAIVMFPVGEKPNPKGAAMKPVVFNHLIHEKKIADCETCHHTGDPVSCSTCHTVEGKAEGDYITLDRAMHATDIAARAKGNTPTSCVSCHQSETKERRECAGCHAITTPKDDEAWCATCHDITPSMTPSEMQKGIAGTLLPGDNEALAAETVLAEATVAPVSPMLAPYKVVIDALADKYEPSDFTHRRHLTSLMESIKDDKLAQAFHDKPEILCATCHHRSPLSLTPPKCGSCHT-----KEIDAADPGRPNLMAAYHLECMGCHKGMAVARPRDTDCTTCHKAAA

General information: TITO was launched using: RESULT: Template: 19HC.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 : 893 13844 15.50 57.44 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 15.50 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.046

(partial model without unconserved sides chains): PDB file : Tito_19HC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-19HC-query.scw PDB file : Tito_Scwrl_19HC.pdb: