Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIRDVNKIILHKKDSILKALELLDLYALRIVLVVDDHNHLIGSITDGDIRRGLLKGQDVHASVETIMHTTPYSIEEGSLNNRQIFEIMREKSYLALPVIKNNQLVNIITLDDLIRKKRKENPVFIMAGGFGTRLRPLTDTCPKPMLPVGGKPLLETIISSFKNQGFYKFYISTHYLPEVINEYFGDGEKLGVQIQYVHETDPLGTGG----ALSLLPASDIKLPFIVINGDVLTNMNFEKLLEFHEKRDAIATMCVREFQYQIPYGVVNSEDHVIQSMTEKPSYFFDINTGIYVISPELLPEVNAQFIGMPTILEQQMEKQNKVLSYPLHEYWLDIGHMEDYNRAQRDIINLDFGKF 4Y7U Chain:A ((3-216)) --------------------------------------------------------------------------------------------------------------------------AMILAAGKGERMRPLTLHTPKPLVPVAGQPLIEYHLRALAAAGVTEVVINHAWLGQQIEDHLGDGSRFGLSIRYSPEGEPLETGGGIFKALPLLGDA----PFLLVNGDVWTDYDFARL---QAPLQGLAHLVLVDNPGHHGRGDFRLVGEQVVDGDDAPGTL--TFSGISVLHPALFEGCQAGAFKLAPLLRQAM-AAGKVSGEHYRGHWVDVGTLERLAEAE-----------

General information: TITO was launched using: RESULT: Template: 4Y7U.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 : 1113 -56540 -50.80 -269.24 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -50.80 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_4Y7U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Y7U-query.scw PDB file : Tito_Scwrl_4Y7U.pdb: