Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLGARIFKTGIAITLALYLASWIGLPAPIFAGIAAIFAIQPSIYRSFLIIIDQVQANIIGAVIATVFGLIFGPSPIMIGLTAVIVITIMLKLKIEHTISIALVTVIAILESAGDDFLMFALIRTSTVILGVLSSFIVNLVFLPPKYETKLIHNTVENTEEIMKWIRLSMRQSTEHSILKEDIEKLKEKMIKLDQTYLLYKEERSYFKKTTYVKSRKLVLFRQAIITANRALDTLKKLHRLENEIYHMPEEFQETLTEELDYLLYWHERILMRFVGKIKPHDDAVEEGIRYKQLLTKSFLKNQQNTDEELIDYNMLNIMASAVEYREQLEHLETLITSFQTYHPKDCEIETEE 1U0I Chain:B ((1-21)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KIAALKEKIAALKEKIAALKE--------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1U0I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 6 347 57.83 16.52 target 2D structure prediction score : 0.95 Monomeric hydrophicity matching model chain B : 0.46 3D Compatibility (PKB) : 57.83 2D Compatibility (Sec. Struct. Predict.) : 0.95 1D Compatibility (Hydrophobicity) : 0.46 QMean score : 0.762

(partial model without unconserved sides chains): PDB file : Tito_1U0I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1U0I-query.scw PDB file : Tito_Scwrl_1U0I.pdb: