Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence CYHGKLSRKAAESLLVK---DGDFLVRESATSPGQYVLSGLQGGQAKHL-LLVDPEGKVRTKDHVFDNVGHLIRYH 3WA4 Chain:A ((6-81)) WFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYH

General information: TITO was launched using: RESULT: Template: 3WA4.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 : 247 6130 24.82 85.14 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 24.82 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.777

(partial model without unconserved sides chains): PDB file : Tito_3WA4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WA4-query.scw PDB file : Tito_Scwrl_3WA4.pdb: