Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIDLYYWGTPNGHKITIALEEMGLDYTLYPINILENDQFQPDFLKISPNNKIPAIVDQ---DGPRGEPISVFESGAILQYLGRKTGLFYPTDEQERVEVEQWLMWQMGGLGPMLGQNHHFNRFAPEKIPYAIDRYVNETKRLYGVLNKQLIRQKFVAGE-YSIADMAILPWILRYEWQGIQLEDYPYVQEYIVRLTARPAVQKALSIKVI 5HFK Chain:A ((23-225)) MIDLYFAPTPNGHKITLFLEEAGLDYRLIKVDLGKGGQFRPEFLLISPNNKIPAIVDHSPADG--GEPLSLFESGAILLYLAEKTGLFLSHETRERAATLQWLFWQVGGLGPMLGQNHHFNHAAPQTIPYAIERYQVETQRLYHVLNKRLENSPWLGGENYSIADIACWPWVNAWTRQRIDLAMYPAVKNWHERIRSRPATGQAL-----

General information: TITO was launched using: RESULT: Template: 5HFK.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 : 926 -36909 -39.86 -185.47 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -39.86 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_5HFK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HFK-query.scw PDB file : Tito_Scwrl_5HFK.pdb: