Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTIVFKCGGSVIRELSEEFYQNLKELRASGWKLAIVHGGGPEITNMLKRLNIKTEFSGGQRKTTKPVLEVAEMVLSGSVNKFFVAELAKHGLRAAGISGKDGGLLEADYLDPETYGEVGEIKKVDASMVNALMENGIIPVIAPLSMTSDCKTLNVNADLAASAVAGALEADKLMFVTDVDGIMKEKQRLDVLTPKEIQMLIKQEVITGGMIPKVNSALSALSDQVSEVMIVNGKGSFFAEQTFQGTKIVKAKEAVS 3L86 Chain:A ((35-266)) MKDIIVIKIGGVASQQLSGDFLSQIKNWQDAGKQLVIVHGGGFAINKLMEENQVPVKKINGLRVTSKDDMVLVSHALLDLVGKNLQEKLRQAGVSCQQLKSDIKHVVAADYLDKDTYGYVGDVTHINKRVIEEFLENRQIPILASLGYSKEGDMLNINADYLATAVAVALAADKLILMTNVKGVLENGAVLEKITSHQVQEKIDTAVITAGMIPKIESAAKTVAAGVGQVLI--------------------------

General information: TITO was launched using: RESULT: Template: 3L86.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 : 1187 -162816 -137.17 -701.79 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -137.17 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.567

(partial model without unconserved sides chains): PDB file : Tito_3L86.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3L86-query.scw PDB file : Tito_Scwrl_3L86.pdb: