Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKVERLLINYKTLEEFKKFKEYGIQELSMLEELQDNIIENDSTSPFYGIYFGDKLVARMSLYQVNGKSNPYFDNRQDYLELWKLEVLPGYQNRGYGRALVEFAKSF----KMP---IRTNPRMK-SAEFWNKMNFKTVKYDMARDKGENPLIWHPDMDREMTPGESA 4CRY Chain:B ((37-123)) --------------------------------------------HRIYAARFNERLLAAVRVTLSG-----------TEGALDSLRVREVTRRRGVGQYLLEEVLRNNPGVSCWWMADAGVEDRGVMTAFMQALGFTAQQGG--------------------------

General information: TITO was launched using: RESULT: Template: 4CRY.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 : 246 -41043 -166.84 -519.53 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -166.84 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_4CRY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CRY-query.scw PDB file : Tito_Scwrl_4CRY.pdb: