Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLEKFLDMSLVQRIVVGILVGILFGIFFPTW-------TFISILGTLFVSCLKAIAPILVF---FLTMASIAKHKIGNKTFVKPILILYLVGTLLSALVAVIVSSIFTVPITLQETVSEKA--PQSLESVLSTMLTNVTQNPVQSLIDANYLGVLFWAVLLGLAF-----------RARSESTKELVDQISIALSQVVQVIIAFAPIGILGLVYQSIATTGIAGLAEY------------LQLLLVLIGTMLFVALVVYPFLTFLFIKENPYPLIFFCLKESALPAFFTRSSAANIPINMMLAERLKLTKESYSISIPLGATINMGGAAITISLMTLTAVHSLGIEAPFVLKVLLCILSALAACGASGVAGGSLLLIPLACSLFGISNDVAMQIVGIGFIIGV--IQDSMETALNSSSDLLFTAIGELGARKRSGEKIKLKDCLDGLSER 4X2S Chain:A ((12-411)) ---------VLQKILIGLILGAIVGLILGHYGYAHAVHTYVKPFGDLFVRLLKMLVMPIVFASLVVGAASISPARLG-RVGVK-IVVYYLLTSAFAVTLGIIMARLFNPGAGIHLAVGGQQFQPHQAPPLVHILLDIVPTNPFGALANGQVLPTIFFAIILGIAITYLMNSENEKVRKSAETLLDAINGLAEAMYKIVNGVMQYAPIGVFALIAYVMAEQGVHVVGELAKVTAAVYVGLTLQILLVY-----FVLLKIYGIDPISFIKHA---------KDAMLTAFVTSSSSGTLPVTMRVAKEMGISEGIYSFTLPLGATINMDGTALYQGVATFFIANALGSHLTVGQQLTIVLTAVLASIGTAGVPGAGAIMLAMVLHSVGLPLTDPNVAAAYAMILGIDAILDRGRTMVNVTGDLTGTAI-------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 1501 -188557 -125.62 -519.44 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -125.62 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.301

(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: