Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLFKNLTVQVITAVIIGVIVGLVWPDVGKE------MKPLGDTFINAVKMVIAPIIFFTIVLGIAKMGDMKKVGKVGGKAFIYFEVVTTLALIIGLFVVNIMKPGAGLDYSKLEKGDVSQYTQNGGQGIDWIEFITHIVPSNMVDAFAKGDILQVLFFSILFGVGLAAL----GEK----GKSVIDFFDKVSHVFFKIIGYIMRAAPIGAFGAMAYTIGHFGLDSIKPLASLMMSVYITMFLFVFVALNIICKLYGFSLWNYLRFIKDELLIVLGTSSSESVLPRMMDKMERYGCSKSVVGLVIPTGYSFNLDGTSIYLSMATVFLAQVFGVDLSIGQQITIILVLMLTSKGAAGVTGSGFIVLASTLSALQVIPL------EGLALLLGVDRFMSEGRAIVNLIGNGIATIIVAKSENEFDEAKSIEAVEGMKKMKTAV 4X2S Chain:C ((15-416)) ---------KILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLKMLVMPIVFASLVVGAASISP-ARLGRVGVKIVVYYLLTSAFAVTLGIIMARLFNPGAGI---HLAVGG-QQFQPH--QAPPLVHILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVYFVLLKIYGIDPISFIKHAKDAMLTAFVTSSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGVATFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLAMVLHSVG-LPLTDPNVAAAYAMILGIDAILDRGRTMVNVTGDLTGTAIVAKTE----------------------

General information: TITO was launched using: RESULT: Template: 4X2S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1852 -333941 -180.31 -874.19 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain C : 0.82 3D Compatibility (PKB) : -180.31 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.368

(partial model without unconserved sides chains): PDB file : Tito_4X2S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4X2S-query.scw PDB file : Tito_Scwrl_4X2S.pdb: