Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEPPLNRTNIFFGESHSDWLPVRGGESGDFVFR-RGDGHA---FAKIAPASRRGELAGERDRLIWLKGRGVACPEVINWQEEQEGACLVITAIPGVPAADLSGADLLKAWPSMGQQ--------LGAVHSLSVDQCPFERRLSRMFGRAVDVVSRNAVNPDFLPDEDKSTPQLDLLARVERELPVRLDQERTDMVVCHGDPCMPNFMVDPKTLQCTGLIDLGRLGTADRYADLALMIANAEENWAAPDEAERAFAVLFNVLGIEAPDRERLAFYLRLDPLTWG 4GKI Chain:A ((35-269)) -------------------------GQSGATIYRLYGKPNAPELFLKHGKGSVANDVTDEMVRLNWLTAF-MPLPTIKHFIRTPDDAWLLTTAIPGKTAFQV-----LEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFS-----PDSVVTHGDFSLDNLIFDEGKL--IGCIDVGRVGIADRYQDLAILWNCLGE--FSPSLQKR----LFQKYGIDNPDMNKLQFHLMLD-----

General information: TITO was launched using: RESULT: Template: 4GKI.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 : 920 -2190 -2.38 -9.82 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -2.38 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_4GKI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4gki-query.scw PDB file : Tito_Scwrl_4GKI.pdb: