Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIEDKIVEIATRVFQVNE---IDVRVDSRFKGGMSNYTYLVYVKE----------QPYVIRIIGDGGEVLVKPSIEKKHIQQAKALNLNSELVYFDSKTGVKVSKYVEGTPLSVS--MEETDYPLVANALKTLHQAKLPGE---DYG----LKERLRRYEKLLKKEPS-----TTYY---TLKMQWLKLYDAY----FSKLPKVLCHGDAQRSNLVKSGDKIYLLDWEFSGLNDPYYDIASFGN-IDF--------------------KDAEKLLGYYLERTP-----S----AFELAHIRFYRMYQVLQWHIVATYKHEINLSEKLHLDFEMIAGKYLSLAGHFLEQLKEIEQFK 3C5I Chain:D ((17-365)) ------IKKICLEKVPEWNHFTEDNLRVKQIL--LTNQLFEVGLKEETANNYNSIRTRVLFRIYGKHVDELYNTISEFEVYKTMSKYKIAPQLLNTF--NGGRIEEWLYGDPLRIDDLKNPTILIGIANVLGKFHTLSRKRHLPEHWDRTPCIFKMMEKWKNQLFKYKNIEKYNCDIHKYIKESDKFIKFMKVYSKSDNLANTIVFCHNDLQENNIINTNKCLRLIDFEYSGFNFLATDIANFFIETSIDYSVSSYPFFEIDKKKYISYENRKLFITAYLSNYLDKVVPTPKLIDEILEAVEVQALGAHLLWGFWSIIRGYQTK-SYNEFDFFLYAEQRLKMYDDQKEYLISNNII-

General information: TITO was launched using: RESULT: Template: 3C5I.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 : 1095 15076 13.77 53.65 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.64 3D Compatibility (PKB) : 13.77 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.527

(partial model without unconserved sides chains): PDB file : Tito_3C5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c5i-query.scw PDB file : Tito_Scwrl_3C5I.pdb: