Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHKLGLLSSLGLSFISTLTWGEETSTVLETIRIQAESTREDVSQNSSATKFTHDVLDVPFNRAYLSKQIMEQQDVQRIDDALTLVSGVFHQNSFGGGFWDNYSFRGFSTDPNLGAAMIRNGLSVNRGISAPK-DVVNIESLEFLKGPMAALYGRGETGGLLNLNSKKPQWESESELNLRANTQEQYHISLEHTAPINDE--LAYRLAVAHEDNQSFRDHVSSERWFFSPQLTWKISDQTQLDFDSEFTEHKGTFDRGVSTVNHQFVMDPK------TFTGEPDDGDLKIKDYFYQLHLSHEFNPDWKLNSAVSYKDAKMVGFATEPRRMQADGRALERQR-RYR---DYTSEDVLAQTELLGKIDTSWARHEILLSTELGQLDYKQNQLRRNHSTSSTNTIDIYQP-----EYGKYLPNLTPFTDTKERQRYFALNVQDQIFFNDQWSVLLGNRFDQVEQDFKNHIKQTEDNQTLHQNSPRFGVNFKASDQWAFYTNYGRSFAMNSGMNRNGQTFAPEKGESYEVGTKYKIND-QSVLSLALFKMKKQNVLTTDPIDKDFQTAAGEVSSKGVEFDLNSQITDRWFINANYSYTDAQIEKDQD-LAKGARLSNVPKHQGSVSTNYEFLQDGARKAGVGANLTYVGERSGHNLDNGFNLPSYTLVNLNGYY-----APSDR-LRYQLNVNNLFDKTYYVSSYSDLWVQPCEPLNASISAQWKF 3QLB Chain:A ((90-724)) -----------------------------------------------SGTKTDASLSEIPQSISVITRDQMDAQQVQSVNEALRYTAGVQANTTAASQRFDTLSIRGF----DVTTGMLRDGLKGNTAQAWPKVEAYGLERIDVLKGPASVLFGQNSPGGVVNQISKRPLDKPFHEVQIQGGSFDRAQGQFDFSGPLDDEGQFLYRLVGLERDSGTQFDHIKDDKQYFAPSFTWKPNDDTSLTLLADYTQDTFGAPRVFLPAQGTLLGNPNGKVRHNVFLDEPGLDNDRTQ-YSLGYLLEHRLNDVWSLNSSARYGHVNLLTNTASGMSLAPDLRTLNRAAYRFRIVGDTYSLDNNAQAR--------WNLGSTQMVSLLG-IDYRRTREDYYLRGGSASPIDIYNPVHHHH---GVFDPSTPFTNTVQRADQVGVYAQQQFTFDEHWVLTVGGRQDRSSARTDNRMNDSGSKQDDEKFTYRTGLVYLADNGLAPYISYSTSFDPVLGTNFYGTPYKPTSAKQSEVGVKYQPPGIDSYITLSLFDLTQENVLTTDPAQRLNKIQTGEINVRGIELEGKASLARGLDLLAALTYNDAEVSKSNNPLEKGKRPTDTPEKMASLWADYTLPEGPLSGLGFGAGVRYIGSTEA-DAANTQRVPSYTLLDAAVHYDFDKLIPAAKGLRLAVNATNLTDKHYY-------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 3641 178421 49.00 294.42 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 49.00 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.103

(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: