Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEEATTLPQQFIKKYRLLLGEEASDFFSALEQGSVKKGFRWNPLK--PAGLDMVQTYHSEELQPAPYSNEGFLGTVNGKSFLHQ---AGYEYSQEPSAMIVGTAAAAKPGEKVLDLCAAPGGKSTQLAAQMKGKGLLVTNEIFPKRAKILSENIERWGVSNAIVTNHAPAELVPHFSGFFDRIVVDAPCSGEGMFRKDPNAIKEWTEESPLYCQKRQQEILSSAIKMLKNKGQLIYSTCTFAPEENEEIISWLVENYP-VTIEEIPLTQSVSSGRSEWG-SVAGLEKTIRIWPHKDQGEGHFVAKLTFHGQNQMHKEKKTRKKSKVQMTKEQEKLWTEFSNDFHYEATGRLLVFNDHLWEVPELAPSLDGLKVVRTGLHLGDFKKNRFEPSYALALATKKI----ENIPCLPITQKEWQ--SYTAGETFQRDGNQGWVLLVLDK-----IPVGFGKQVKGTVKNFFPKGLRFH 3M6U Chain:A ((5-450)) ----------AFLSRMAELLGEEFPAFLKALTEGKRTYGLRVNTLKLPPEAFQRISPW---PLRPIPWCQEGFYYPEEARPGPHPFFYAGLYYIQEPSAQAVGVLLDPKPGERVLDLAAAPGGKTTHLAARMGGKGLLLANEVDGKRVRGLLENVERWGAPLA-VTQAPPRALAEAFGTYFHRVLLDA---------------RHWGP--PKRMAEVQKALLAQASRLLGPGGVLVYSTCTFAPEENEGVVAHFLKAHPEFRLEDARLHPLFAPGVPEWGEGNPELLKTARLWPHRLEGEGHFLARFRKEGGAW----STPRLERPSPLSQEALRAFRGFLEEAGLTLEGPVLDRAGHLYLLPEGLPTLLGLKAPAPGLYLGKVQKGRFLPARALALAFGATLPWPEGLPRLALTPEDPRALAFATGEGVAWEGEDHPLALVVLKTAAGEFPLDFGKAKRGVLR----------

General information: TITO was launched using: RESULT: Template: 3M6U.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 : 2275 96885 42.59 235.73 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 42.59 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.453

(partial model without unconserved sides chains): PDB file : Tito_3M6U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3M6U-query.scw PDB file : Tito_Scwrl_3M6U.pdb: