Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYVGRDMSELNMVSKKDWKNSELAYFHHAFQQIMPYLNEEGQSKYRELTQEIEARGGMKRNEADYSHGTRVSYD 2KSW Chain:A ((1-66)) VPVGSDCE-----PKLCTMDLVPHCFLNPEKGIVVVHGGCALSKYKCQNPNHEKLGYTHECEEAIKNAPRP---

General information: TITO was launched using: RESULT: Template: 2KSW.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 : 258 -7392 -28.65 -111.99 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -28.65 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.109

(partial model without unconserved sides chains): PDB file : Tito_2KSW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KSW-query.scw PDB file : Tito_Scwrl_2KSW.pdb: