Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAPKRLGKYELGRTLGTGNFSKVKIARDTETGKEWAIKVIDKEQLVRERMEEQLKREIAVMKMLRQPNIIELHEVMQTSHHIYLVLELVTGGELFEKIASAKRFDEPTARHYFHQLICGINYCHRQGIAHRDLKPENLLLDANDTLKISDFGLSNLQRTSVSGGTMLQTVCGTPNYVAPEVLKEQGYDGLKADIWSCGVVLFVMMAGYLPFDDENVNALFTKIERGEFRMARHFSADARDLISRMLTVDPQERISLDDVIAHPWFCVDWNPAMLTRGESHSSPNTAQISNAIRNM 5K00 Chain:A ((6-270)) -----LLKYYELHETIGTG--AKVKLACHILTGEMVAIKIMDKNTL--GSDLPRIKTEIEALKNLRHQHICQLYHVLETANKIFMVLEYCPGGELFDYIISQDRLSEEETRVVFRQIVSAVAYVHSQGYAHRDLKPENLLFDEYHKLKLIDFGLCAKP---------------SLAYAAPELIQGKSYLGSEADVWSMGILLYVLMCGFLPFDDDNVMALYKKIMRGKYDVPKWLSPSSILLLQQMLQVDPKKRISMKNLLNHPWIMQDYNYPV----------------------

General information: TITO was launched using: RESULT: Template: 5K00.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 : 1214 -169361 -139.51 -677.44 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -139.51 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.550

(partial model without unconserved sides chains): PDB file : Tito_5K00.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K00-query.scw PDB file : Tito_Scwrl_5K00.pdb: