Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAGKSYRKKMKQRRMNMKISKYALGILMLSLVFVLSACGNNNSTKESTHDNHSDSSTHEEM----DHSGSADVPEGLQESKNPKYKVGSQVIINTSHMKGMKGAEATVTGAYD------TTAYVVSYTPTNGGQRVDHHKWVIQEEIKDAGDKTLQPGDQVILEASHMKGMKGATAEIDSAEKTTVYMVDYTSTTSGEKVKNHKWVTEDELSAK 3M5I Chain:A ((104-223)) ------------------QILRRSGGIGKESMGFTYSGIRTNGATSACTR---SGSSFYAEMKWLLSNSDNAAFPQMTKAYRNPRNK--PALIIWGVHHSESVSEQTKLYGSGNKLITVRSSKYQQSFTPNPGARRIDFH-WLL-----------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3M5I.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 : 263 -3843 -14.61 -34.94 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -14.61 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.205

(partial model without unconserved sides chains): PDB file : Tito_3M5I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M5I-query.scw PDB file : Tito_Scwrl_3M5I.pdb: