Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKNKKLFEYLSQHAETISSTWYETIEETDPNSIYASTDPVVIHNLKSQNLAFNYKINRIFIDDEDVYLPILKEWAFEVTQDQEHLKTPIHYIIREFVRV-----RDLYVSYVKEFVHLNQNTVKSEEAEDLYHALIKAFDLVIHIFIEEMYKNTSLQLQAQKDMITELSAPVIVLFHSVGLLPLIGDIDTVRAKLIMENTLHQCAKKKVTQLYIDLSGVAVIDTMVAHQLFSLIEALRLIGVSSTLSGIRPEIAQTAVQLGLSFEGISLRSTLASAIASDLKLKKV 3PMC Chain:A ((9-135)) ----CLLCRYLKERQEKFISDWKKKVIIRER-------DPYK-EEIIKNGEHLLSAFIMYLKEEI--SLQEIEITSKKIARERIDAKVNIAEFIHNTNVAKIEIMNILTLLN-----------PDLQQYQALVKKINQFFDHLIYYTVHSYY---------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PMC.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 : 402 -45025 -112.00 -369.05 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.54 3D Compatibility (PKB) : -112.00 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.54 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_3PMC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PMC-query.scw PDB file : Tito_Scwrl_3PMC.pdb: