Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKILISMIAIVLSITLAACGSNHAAKNHSDSNGTEQVSQDTHSNEYNQTEQKAGTPHSKNQKKLVNVTLDRAIDGDTIKVIYNGKKDTVRYLLVDTPETKKPNSCVQPYGEDASKRNKELV-NSGKLQLEFDKGDRRDKYGRLLAYVYVDGKSVQETLLKEGLARVAYVYEPNTKYIDQFRLDEQEAKSDKLSIWSKSGYVTNRGFNGCVK 3S9W Chain:A ((12-135)) -------------------------------------------------------------------ATLIKAIDGDTVKLMYKGQPMTFRLLLVDTPEFN------EKYGPEASAFTKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKGVNEALVRQGLAKVAYVYKGNNTHEQLLRKAEAQAKKEKLNIWS---------------

General information: TITO was launched using: RESULT: Template: 3S9W.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 : 610 -51970 -85.20 -422.52 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -85.20 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3S9W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3S9W-query.scw PDB file : Tito_Scwrl_3S9W.pdb: