Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MTKVERLLINYKTLEEFKKFKEYGIQELSMLEELQDNIIENDSTSPFYGIYFGDKLVARMSLYQVNG-KSNPYFDNRQDYLELWKLEVLPGYQNRGYGRALVEFAKSFKMPIR----------------------------------TNPRMKSAEFWNKMNFKTVKYD-----MARDKGENPLIWHPDMDREMTPGESA 1B87 Chain:A ((1-181)) MIISEFDRNNPVLKDQLSDLLRLTW--PEEYG------DSSAEEVEEMM-NPERIAVAAVDQ-DELVGFIGAIPQ-YG---------ITGWELHPLVVESSRRKNQIGTRLVNYLEKEVASR-GGITIYLGTDDLDHGTTLSQTDLYEHTFDKVASIQNLREHPYEFYEKLGYKIVGVLPNANG----WDKPDIWMAKTIIP--RPDS--

General information: TITO was launched using: RESULT: Template: 1B87.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 : 442 -43986 -99.51 -335.77 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -99.51 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.407

(partial model without unconserved sides chains): PDB file : Tito_1B87.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1B87-query.scw PDB file : Tito_Scwrl_1B87.pdb: