Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQAKKSVDIKNIRNFSIIAHIDHGKSTLADRFIQMCGGLQDRE--------MQAQVLDSMELERERGITIKAASVTLYYTHPNGQEYQLNFIDTPGHVDFSYEVSRSLAACEGALLVVDAAQGVEAQSVANCYTAIEQGLEVLPILNKIDLPQAEP----ERV-------IHEIEEII---GIE--ATNAPTCSAKTGLG--------------------------------------------------------------------------------------------------------------VEGVLETLVDVIPAPTG---------------DREAPLQALIIDSWFDNYLGVVSLVRIKDGRIRKGDKMLVKSTGQ------------------THIVTSVGVFNP-KHTETGVLEAGEVGFVIAGIKDIFGAPVGDTITLSTTPE----VASLPGFK-KVKPQVYAGLFPIDASDFEPFREALQKLQINDSALFFEPESSDALGFGFRCGFLGMLHMEIVQERLEREYD-LDLISSAPTVVYEAVTKKGDTI------Y------------------------------------------------------------------I---------DSP-SKMP---------------------DG----------------SVVEDLREPIAECHILVPQEYLGNVMILCIERRG-VQKDMKFLG--NQVSITFEIPMAEVVMDFFDKLKSCSRGFASLDYNFIR--FESSSLVKVDVLINGEKVDALAMICHRNDARHRGIALVDKMKDLIPRQMFDVAIQAAIGAQIIARSTVKAMRKNVLAKCYGGDVSRKKKLLAKQKEGKKRMKQVGSVEIPQEAFLAVLKVER 5LJ3 Chain:C ((129-941)) --------IPERIINVGVIGPLHSGKTSLMDLLVIDSHKRIPDMSKNVELGWKPLRYLDNLKQEIDRGLSIKLNGSTLLCTDLESKSRMINFLDAPGHVNFMDETAVALAASDLVLIVIDVVEGVTFVVEQLIKQSIKNNVAMCFVINKLDRLILDLKLPPMDAYLKLNHIIANINSFTKGNVFSPIDNNIIFASTKLGFTFTIKEFVSYYYAHSIPSSKIDDFTTRLWGSVYYHKGNFRTKPFENVEKYPTFVEFILIPLYKIFSYALSMEKDKLKNLLRSNFRVNLSQEALQYDPQPFLKHVLQLIFRQQTGLVDAITRCYQ-PFELFDNKTAHLSIPGKSTPEGTLWAHVLKTVDY-GGAEWSLVRIYSGLLKRGDTVRILDTSQSESRQKRQLHDIEDDETPSCEVEEIGLLGGRYVYPVHEAHKGQIVLIK-GISS--AYIKSATLYSVKSKEDMKQLKFFKPLDYITEAVFKIVLQPLLPRELPKLLDALNKISKYYPGVIIKVEES---GE-HVILGNGELYMDCLLYDLRASYAKIEIKISDPLTVFSESCSNESFASIPVSN-ISVAAEPMDSKMIQDLSRPRKLSKILRTEYGWDSLASRNVWSFYNLINDTLPDEISPELLSKYKEQIIQGFYWAVKEGPLAEEPIYGVQYKLLSISVPSDVNIDVMKSQIIPLMKKACYVGLLTAIPILLEPIYEVDITVHAPLLPIVEELMKKRRGSRIYKTIKVAGTPLLEVRGQVPVIES-AGFETDLRLSTNGLGMCQLYFWHKIWRKVP---------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5LJ3.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 : 2633 -11206 -4.26 -23.89 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain C : 0.60 3D Compatibility (PKB) : -4.26 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.417

(partial model without unconserved sides chains): PDB file : Tito_5LJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LJ3-query.scw PDB file : Tito_Scwrl_5LJ3.pdb: