Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLRLDRLHYCILMSMGCISSPLVWAEDLNSDVAKLPTLHVEATR---------------------TDTGYLQTPASVFRIEAPQVDSSSQVNLTEVVKGIPSLQIRNRENYAQDLQLSMRGFGARSTFGVRGIRLYVDGIPATMPDGQGQTSNIDLSSLDHVEVLTGPFSSLYG-NSSGGTILTSTKEGQGKDSIELSYSGGSHDKSRAGLVLQGGAKGANEPSYIISSSYFDTDGYREHSGAEKVLNNAKLSWNLDDGSKINWVTNYVKINADDPGGLTRAD--WQNNPKQVVQNVLD---YNARKEIEQTQTGLTWSKPINDQHELYAMTYMGQRQVTQYQSIPDTVQKNPNTPYQAGGVIDFKRNY--YGADFRWTGKELLPN-TTLSIGVALDAMKEDRQGYQNFNDT-G---DK-G--VKGALRRDEDNTLWNIDPYVQASWQFLPTWRLDTGVRYSNVHYKSKDYYIVGLNGDNSGKTSYEEVLPSVALSWQITPEVLAYASYAKGFETPTFTEMAYPAQGGASTLDLKPSTSDTYETGLKSQ-NQ-LGDFTLAVFQTKTKNDIVSAESFGGRSTFRNADKTLREGVEFAWNKKLWRDLIAIASYTYLDATFDSTVPAAGKISEIPEGNAIPGIAKNQAYVSLAWQPSH----GLYGGVDVQYMDKVYVNDTNSDAAPSYSVTSANVGYAWVM---GDWKVNSFARVDNLFDRNYAGSVIVNDSTQPVGRYFEPADGRNWSAGLRVIKQF 3QLB Chain:B ((73-748)) ----------------------------------------------PDSATGPQAGYVAKRSLSGTKTDASLSEIPQSISVITRDQMDAQQVQSVNEALRYTAGVQANTTAASQRFDTLSIRGFDV-------TTGMLRDGLKGNTAQ---AWPKVEAYGLERIDVLKGPASVLFGQNSPGGVVNQISKRPLDKPFHEVQIQGGSFDRAQGQFDFSGPLDDEGQFLYRLVGLERDSGTQFDHIKDDKQYFAPSFTWKPNDDTSLTLLADYTQDTFGAPRVFLPAQGTLLGNPNGKVRHNVFLDEPGLDNDRTQYSLGYLLEHRLNDVWSLNSSARYGHVNLLTNTASGMSLAPDLRTLNRAAYRFRIVGDTYSLDNNAQARWNLG-STQMVSLLGIDYRRTREDYYLRGGSASPIDIYNPVHHVFDPSTPFTNTVQRADQVGVYAQQQFTFDEHWVLTVGGRQDRSSARTDNRMN-----DSGSKQDDEKFTYRTGLVYLADNGLAPYISYSTSFDPVLGTNF--------YGTPYKPTSAKQSEVGVKYQPPGIDSYITLSLFDLTQENVLTTDPA--QRLNKIQTGEINVRGIELEGKASLARGLDLLAALTYNDAEVSKSN------NPLEKGKRPTDTPEKMASLWADYTLPEGPLSGLGFGAGVRYIGSTEADAANTQRVPSYTLLDAAVHYDFDKLIPAAKGLRLAVNATNLTDKHYYEGCSL--------TNCSAGYDRSVIASLRYRW--

General information: TITO was launched using: RESULT: Template: 3QLB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 3852 220161 57.15 352.82 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain B : 0.66 3D Compatibility (PKB) : 57.15 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.106

(partial model without unconserved sides chains): PDB file : Tito_3QLB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QLB-query.scw PDB file : Tito_Scwrl_3QLB.pdb: