Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKVLMTMFGLVMLPLLFACSNNQSAGIEAIKSKGKLVVALNPDFAPFEYQKVVDGKNQIVGSDIELAKAIATELGVELELSPMSFDNVLASVQSGKADLAISGVSKTDERSKVFDFSTPYYTAKNKLIVKKSDLATYQSVNDLAQKKVGAQKGSIQETMAKDLLQNSSLVSLPKNGNLITDLKSGQVDAVIFEEPVAKGFVENNPDLAIADLNFEKEQDDSYAVAMKKDSKELKEAVDKTIQKLKESGELDKLIEDAFKASIEK 4PSH Chain:A ((2-225)) ---------------------------IDEIKSRGYLLVGLSADFPPFEF---VDENGNIVGFDVDLAKEIARRLGVELKIVDMTFDGLIPSLLTKKIDVIISGMTITEERKKVVAFSDPYFDAGQVIVVRKDSDFRPKTYEDLVGKTVAVQIGTTGDIEVSK-YDGIKVVRFDKFTDAFLELKRGRADAVVLDSATARAFVAKNPDLVISSGVLSSEQ---YGIAVRKEDTDLLEFINSVLRELKKS-PYDVLIEKWF------

General information: TITO was launched using: RESULT: Template: 4PSH.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 : 1153 -124780 -108.22 -557.05 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -108.22 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_4PSH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PSH-query.scw PDB file : Tito_Scwrl_4PSH.pdb: