Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVEDDHSISEMVDHYLTKEGFGIVHAFDGEEGIRLFQQGSYDLVLLDIMLPKLNGMDFLKIIREK-SNIPVLMISAKDGDVDKALGLGFGADDYIAKPFSMIELTARVKAAIRRATQYSAEEPAVNKVIRIHQLAIDIDNVSVLKNGEPLQLTSTEWQLLCLFASNPKKVFTKEQIYRSVWNEEYFDDQNIINVHMRRLREKIEDDPSSPQYIKTLWGIGYKLGEF 1KGS Chain:A ((8-223)) --VEDERDLADLITEALKKEMFTVDVCYDGEEGMYMALNEPFDVVILDIMLPVHDGWEILKSMRESGVNTPVLMLTALSDVEYRVKGLNMGADDYLPKPFDLRELIARVRALIRRKSESKST------KLVCGDLILDTATKKAYRGSKEIDLTKKEYQILEYLVMNKNRVVTKEELQEHLW-----VFSDVLRSHIKNLRKKVDKGF-KKKIIHTVRGIGYVAR--

General information: TITO was launched using: RESULT: Template: 1KGS.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 : 912 -124204 -136.19 -591.45 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -136.19 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_1KGS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KGS-query.scw PDB file : Tito_Scwrl_1KGS.pdb: