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:B ((73-748)) --------------------------------------PDSATGPQAGYVAKRSLSGTKTDASLSEIPQSISVITRDQMDAQQVQSVNEALRYTAGVQANTTAASQRFDTLSIRGFDVT-T---GMLRDGLKGNTAQAWPKVEAYGLERIDVLKGPASVLFGQNSPGGVVNQISKRPLDKPFHEVQIQGGSFDRAQGQFDFSGPLDDEGQFLYRLVGLERDSGTQFDHIKDDKQYFAPSFTWKPNDDTSLTLLADYTQDTFGAPRVFLPAQGTLLGNPNGKVRHNVFLDEPGLD-NDRTQYSLGYLLEHRLNDVWSLNSSARYGHVNLLTNTASGMSLAPDLRTLNRAAYRFRIVGDTYSLDNNAQARW-NLGSTQMVSLLGIDYRRTREDYYLRGGSASPIDIYNPVHH-----VFDPSTPFTNT---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 B - contact count / total energy / energy per contact / energy per residue : 3961 194070 49.00 303.23 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : 49.00 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.097

(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: