Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPIIVIIVAGTIGAGKSTLTEMLAQDLETKPFYENVEDNEVLPLFYSNPEKYTFLLQIFFLNKRFLAIKDAFSHDDNVLDRSIYEDSMLFHLNADLGRVSEVEVKQYEGLLETMLKELEEISPQKKP-DLLVYIRVSFETMLARIKKRGREYEQLEQDPELYSYYKELNRRYEEWYEQ--FDICPKIVIDGDKYDFVADPACGEQIVQEIKMRAKKMTEEADAQSIRYTTNNPKAKGIFTTK 2JAS Chain:D ((4-185)) -----IAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKQAKNLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLENL--------FDIVIYLRVSTKTAISRIKKRGRSEELLIGE----EYWETLNKNYEEFYKQNVYDF-PFFVVDAE--------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2JAS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 693 -30541 -44.07 -178.60 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain D : 0.74 3D Compatibility (PKB) : -44.07 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.416

(partial model without unconserved sides chains): PDB file : Tito_2JAS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2JAS-query.scw PDB file : Tito_Scwrl_2JAS.pdb: