Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------MTRKISKIGASL-------LVLAVAT------------TIDYRQSEAKTIGN---------------VVYRETAKSMLKKAMDN------------QPESSYWFPEDSLAWSFGKDTDTKYNTSVVPLAE------------RVSKATLPNMNVTQTEEVKVVALSAMNSSI-NGNASRGIDIFYANVFSYWQY--IDQLVYGGALLVKDHRIAKSSCDGCSP 4DAP Chain:A ((1-234)) MEFSPPLQRATLIQRYKRFLADVITPDGRELTLHCPNTGAMTGCATPGDTVWYSTSDNTKRKYPHTWELTQSQSGAFICVNTLWANRLTKEAILNESISELSGYSSLKSEVKYGASRIDFMLQADSRPDCYIEVKSVTLAENEQGYFPDAVTERGQKHLRELMSVAAEGQRAVIFFAVLHSAITRFSPARHIDEKYAQLLSEAQQRGVEILAYKAEISAEGMALKKSLPVTL--

General information: TITO was launched using: RESULT: Template: 4DAP.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 : 615 3320 5.40 20.75 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 5.40 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.289

(partial model without unconserved sides chains): PDB file : Tito_4DAP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DAP-query.scw PDB file : Tito_Scwrl_4DAP.pdb: