Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAPKRLGKYELGRTLGTGNFSKVKIARDTETGKEWAIKVIDKEQLVRERMEEQLKREIAVMKMLRQPNIIELHEVMQTSHHIYLVLELVTGGELFEKIASAKRFDEPTARHYFHQLICGINYCHRQGIAHRDLKPENLLLDANDTLKISDFGLSNLQRTSVSGGTMLQTVCGTPNYVAPEVLKEQGYDGLKADIWSCGVVLFVMMAGYLPFDDENVNALFTKIERGEFRMARHFSADARDLISRMLTVDPQERISLDDVIAHPWFCVDWNPAMLTRGESHSSPNTAQISNAIRNM 2YZA Chain:A ((12-271)) -----KIGHYVLGDTLGVGTFGKVKIGEHQLTGHKVAVKILNRQKIRSLDVVGKIKREIQNLKLFRHPHIIKLYQVISTPTDFFMVMEYVSGGELFDYICKHGRVEEMEARRLFQQILSAVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNM----MSD-----------NYAAPEVISGRLYAGPEVDIWSCGVILYALLCGTLPFDDEHVPTLFKKIRGGVFYIPEYLNRSVATLLMHMLQVDPLKRATIKDIREHEWFKQD---------------------------

General information: TITO was launched using: RESULT: Template: 2YZA.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 : 1158 -162570 -140.39 -652.89 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -140.39 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_2YZA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2YZA-query.scw PDB file : Tito_Scwrl_2YZA.pdb: