Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKLEQVSKVYKGGKK---AVNSIDLDIAKGEFICFIGPSGCGKTTTMKMINRLIEPSSGRIFIDGENIMEQDPVEL----RRKIGYVIQQIGLFPHMTIQQNISLVPKLLKW----PEEKRKERARELLKLVDMGPEYLDRYPHELSGGQQQRIGVLRALAAEPPLILMDEPFGALDPITRDSLQEEFKKLQRTLNKTIVFVTHDMDEAIKLADRIVILKAGEIVQVGTPDEILRNPANEFVEEFIGKERLIQSRPDIERVEQMMNRTPVTVSADKTLSQAIQLMREKRVDSLLVVDRQNVLKGYVDVEMIDQNRKKASIVGDVYRSDIYTVQKGALLRDTVRKILKQGIKYVPVVDEQNHLAGIVTRASLVDIVYDSIWGDEENQLMTI 3TIF Chain:A ((1-223)) MVKLKNVTKTYKMGEEIIYALKNVNLNIKEGEFVSIMGPSGSGKSTMLNIIGCLDKPTEGEVYIDNIKTNDLDDDELTKIRRDKIGFVFQQFNLIPLLTALENVEL-PLIFKYRGAMSGEERRKRALECLKMAELEERFANHKPNQLSGGQQQRVAIARALANNPPIILADQPTWALDSKTGEKIMQLLKKLNEEDGKTVVVVTHDINVA-RFGERIIYLKDGEV----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3TIF.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 : 1071 39955 37.31 188.47 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 37.31 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.517

(partial model without unconserved sides chains): PDB file : Tito_3TIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TIF-query.scw PDB file : Tito_Scwrl_3TIF.pdb: