Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence WFHGKLSRREAEALLQL---NGDFLVRESTTTPGQYVLTGLQSGQPKHL-LLVDPEGVVRTKDHRFESVSHLISYH 3N84 Chain:B ((9-84)) WFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYH

General information: TITO was launched using: RESULT: Template: 3N84.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 242 8459 34.95 117.48 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : 34.95 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.767

(partial model without unconserved sides chains): PDB file : Tito_3N84.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N84-query.scw PDB file : Tito_Scwrl_3N84.pdb: