Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKVERLLINYKTLEEFKKFKEYGIQELSMLEELQDNIIENDSTSPFYGIYFGDKLVARMSLYQVNGKSNPYFDNRQDYLELWKLEVLPGYQNRGYGRALVEFAKSF-----KMP---IRTNPRMK-SAEFWNKMNFKTVKYDMARDKGENPLIWHPDMDREMTPGESA 3DSB Chain:A ((55-148)) --------------------------------------------GKYHVYTVFDKVVAQIMYTYEWSDW-----RNGNFLWIQSVYVDKEYRRKGIFNYLFNYIKNICDKDENIVGMRLYVEKENINAKATYESLNMYECDYN--------------------------

General information: TITO was launched using: RESULT: Template: 3DSB.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 : 250 -47235 -188.94 -555.70 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -188.94 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_3DSB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DSB-query.scw PDB file : Tito_Scwrl_3DSB.pdb: