Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQLPKISTTSKALAKSLLLAQGVLDQAKKYSTLPFTQTHIILPRIDEKYYSWTHYGIFFPLLPEPHRYLNIMILIGTP-GALAFDHDDIITGNPRKTATFFSSTAALEQALLKAYIIPEDTKINKDGTLIELGQEISIQGKFPHIHINGHYDGFDFDFDIDITSHVSWFIKTPIYDHFSLLAKFKGFLNYQAKHIETQGLCTYEYARAVGPHSITNKLIPDAYKLPLDFFTYQIINLNEATQLLLTKADIAGQTAAYTLHIRHLDQPAEIYTDVSFDIISHQVDDFVSPSGQKMRLPKYFSWIARNDAKQIILNIQAEIDCPFRYGHGRGYASSYIFTGHYFGNEVQGRGYIEYVDIENPQAFEDE 2XXS Chain:A ((22-101)) ------------------------------------------------------------------PLYYGNNLIVLGRTIETLEFGNDNFP----ENIIPVTDSKSDG--IIYLTISKDNICQFSDE-----KGEQIDINSQFNSFE----YDGISFHLK---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XXS.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 : 298 -4324 -14.51 -54.73 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -14.51 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.233

(partial model without unconserved sides chains): PDB file : Tito_2XXS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XXS-query.scw PDB file : Tito_Scwrl_2XXS.pdb: