Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHKLGLLSSLGLSFISTLTWGEETSTVLETIRIQAES-------T-REDVSQNSSATKFTHDVLDVPFNRAYLSKQIMEQQDVQRIDDALTLVSGVFHQNSFGGGFWDNYSFRGFSTDPNLGAAMIRNGLSVNRG-ISAPKDVVNIESLEFLKGPMAALYGRGETGGLLNLNSKKPQWESESELNLRANTQEQYHISLEHTAPIN--DELAYRLAVAHEDNQSFRDHVSSERWFFSPQLTWKISDQTQLDFDSEFTEHKGTFDRGVSTVNH-QFVMDPK-----TFTGEPDDGDLKIKDYFYQLHLSHEFNPDWKLNSAVSYKDAKMVGFATEPRRMQADGRALERQRRYRDYTSEDVLAQTELLGKIDTSW-ARHEILLSTELGQLDYKQNQLRRNHSTSSTNTI--DIYQPEYGKYLPNLTPFTDTKERQRYFALNVQDQIFFNDQWSVLLGNRFDQVEQDFK-NHIKQTED-NQTLHQNSPRFGVNFKASDQWAFYTNYGRSFAMNSGMNRNGQTFAPEKGESYEVGTKYKI-NDQSVLSLALFKMKKQNVLTTDPIDKDFQTAAGEVSSKGVEFDLNSQITDRWFINANYSYTDAQIEKDQD-LAKGARLSNVPKHQGSVSTNYEFLQDGARKAGVGANLTYVGERSGHNLDNGFNLPSYTLVNLNGYYAPS------DRLRYQLNVNNLFDKTYYVSSYSDLWVQPCEPLNASISAQWKF 3QLB Chain:A ((73-748)) --------------------------------------PDSATGPQAGYVAKRSLSGTKTDASLSEIPQSISVITRDQMDAQQVQSVNEALRYTAGVQANTTAASQRFDTLSIRGFDVT-T---GMLRDGLKGNTAQAWPKVEAYGLERIDVLKGPASVLFGQNSPGGVVNQISKRPLDKPFHEVQIQGGSFDRAQGQFDFSGPLDDEGQFLYRLVGLERDSGTQFDHIKDDKQYFAPSFTWKPNDDTSLTLLADYTQDTFGAPRVFLPAQGTLLGNPNGKVRHNVFLDEPGLD-NDRTQYSLGYLLEHRLNDVWSLNSSARYGHVNLLTNTASGMSLAPDLRTLNRAAYRFRIVGDTYSLDNNAQARW-NLGSTQMVSLLGIDYRRTREDYYLRGGSASPIDIYNPVHHHH--GVFDPSTPFTNT---VQRADQVGVYAQQQFTFDEHWVLTVGGRQDRSSARTDNRMN--DSGSKQDDEKFTYRTGLVYLADNGLAPYISYSTSFDPVLGTNFYGTPYKPTSAKQSEVGVKYQPPGIDSYITLSLFDLTQENVLTTDPAQRLNKIQTGEINVRGIELEGKASLARGLDLLAALTYNDAEVSKSNNPLEKGKRPTDTPEKMASLWADYTLPEGPLSGLGFGAGVRYIGSTEADAA-NTQRVPSYTLLDAAVHYDFDKLIPAAKGLRLAVNATNLTDKHYYEGCSL-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 A - contact count / total energy / energy per contact / energy per residue : 3957 190712 48.20 296.60 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 48.20 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.107

(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: