Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLGARIFKTGIAITLALYLASWIGLPAPIFAGIAAIFAIQPSIYRSFLIIIDQVQANIIGAVIATVFGLIFGPSPIMIGLTAVIVITIMLKLKIEHTISIALVTVIAILESAGDDFLMFALIRTSTVILGVLSSFIVNLVFLPPKYETKLIHNTVENTEEIMKWIRLSMRQSTEHSILKEDIEKLKEKMIKLDQTYLLYKEERSYFKKTTYVKSRKLVLFRQAIITANRALDTLKKLHRLENEIYHMPEEFQETLT----EELDYLLYWHERILMRFVGKIKPHDDAVEEGIRYKQLLTKSFLKNQQNTDEELIDYNMLNIMASAVEYREQLEHLETLITSFQTYHPKDCEIETEE 3IUC Chain:A ((267-343)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LYKKKTG---KDVRKDNRAVQKLRREVEKAKRALSSQHQA-RIEIESFYEGEDFSETLTRAKFEELNMDLF---RSTMKPVQKV---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3IUC.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 : 156 -2312 -14.82 -31.67 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.50 3D Compatibility (PKB) : -14.82 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.50 QMean score : 0.157

(partial model without unconserved sides chains): PDB file : Tito_3IUC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IUC-query.scw PDB file : Tito_Scwrl_3IUC.pdb: