Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQATVHESKQSIMQRILTVFVFTLLIATVGLFIGQFVPVALMLPLSILEVAMIILAFWMRRRKAVGYAFVYTFAFVSGITLF------PIVSHYASIAGAYVVLEAFG-STFVIFAVLGTIGAKMKKDLSFLWSFLLVAVLALAVVGIFNIFSPLNSAAMMAYSVIG-----TIVFSLYILYDLNQIKHRHITEDLIPVMALSLYLDFINLFINLLRFFGILSSDD 4KTW Chain:A ((1-160)) ------------------------------------MKKILAINFSTAS----------KKGEGTGYAFRKDGQVYVGSIKAYNPKKTAWERTFDIVNAIKDIIDEFDLKGYHLAIETPIMGRNRKHSITLA---NCNGYFIGAIDGLVNGYTFIDNSKWCSYHLISGKREQRKEESLELLKATGLVDSNCKDDNIADAYNILTYCEHL-----------------

General information: TITO was launched using: RESULT: Template: 4KTW.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 : 705 -129321 -183.43 -873.79 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -183.43 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.283

(partial model without unconserved sides chains): PDB file : Tito_4KTW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KTW-query.scw PDB file : Tito_Scwrl_4KTW.pdb: