Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDIKVMEYAAEIARRQSFTKAAEHLHIAQPSLSQQIKKLEAELGLTLFHRSHGSVTLTPHGRRFIEKAEDIIRSRDDLLREMQERSQGIGHKLSIGIPAVTGRYLFPPLLKQFLARYPHVEVQLVEKDPVSLEKMTAKGEVDLSVLSLPIEDERLSITPLLTEPVVLAVPKEKQRWMPPELVALIEKALEEDEGRQPCVPIDMVRNVPFILLKEGFGFRRTVLDLCAESGFKPNAAFKTSHIETAQSLVANGLGVTMAPNMVRRD-KD-PGVIYLSIQSA-PSRTLVFVFLKNRYVSLTAQAFMELSRESLKQTFDEGCLGNKDENI 1I6A Chain:A ((89-298)) ----------------------------------------------------------------------------------------MSGPLHIGLIPTVGPYLLPHIIPMLHQTFPKLEMYLHEAQTHQLLAQLDSGKLDAVILALVKESEAFIEVPLFDEPMLLAIYEDH------PW--------AN----REAVPMADLAGEKLLMLEDGHCLRDQAMGFCFEAGADEDTHFRATSLETLRNMVAAGSGITLLPALAVPPERKRDGVVYLPAIKPEPRRTIGLVYRPGSPLRSRYEQLAEAIRARMDGHFD-----------

General information: TITO was launched using: RESULT: Template: 1I6A.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 : 1021 -155949 -152.74 -753.38 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -152.74 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_1I6A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1I6A-query.scw PDB file : Tito_Scwrl_1I6A.pdb: