Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKNKKLFEYLSQHAETISSTWYETIEETDPNSIYASTDPVVIHNLKSQNLAFNYKINRIFIDDEDVYLPILKEWAFEVTQDQEHLKTPIHYIIREFVRVRDLYVSYVKEFVHLNQNTVKSEEAEDLYHALIKAFDLVIHIFIEEMYKNTSLQLQAQKDMITELSAPVIVLFHSVGLLPLIGDIDTVRAKLIMENTLHQCAKKKVTQLYIDLSGVAVIDTMVAHQLFSLIEALRLIGVSSTLSGIRPEIAQTAVQLGLSFEGI---SLRSTLASAIASDLKLKKV 4DGF Chain:A ((16-128)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------SKKVVPLGVEIYEINGPFFFGVADRLKGVLDVI-E-ETPKVFILRMRRVPVIDATGMHALWEFQESCEKRGTILLLSGVSDRLYGALNRFGFIE-ALGEERVFDHIDKALAYAKLL---

General information: TITO was launched using: RESULT: Template: 4DGF.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 : 482 -90209 -187.16 -820.08 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -187.16 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_4DGF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DGF-query.scw PDB file : Tito_Scwrl_4DGF.pdb: