Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMNSTEIMADLSSHTPMMQQYLKVKKDYQHALLFYRMGDFYELFFEDAHLAAKLLGITLTHRGKANGNPIPMAGVPYHSAEGYLARLVKAGRTVAICEQVGE-VTGKGPVERKVVRILTPGTLTDDALLTSYQSSNLVALCIHQNQIGFALLDLSAGIFKVQQQDYKPEQLPIELARLMPSEILIDEDLVDPNIIEQIKKHLDCPVTKRPNVDFNLNNAQKTLCDQFSVSTLSGFGLDPLPLAKAAAAALIHYAKETQKTALPHIRSILLEQSTDFIALDPITRRNLEIIEPLFEHGTSLFQLVNDCQ-TAMGGRLLSRTLMQPVRDTALLDAR---LDAIEQLIQGYHESPVRLVLKEIGDIERVLSRVALGSARPRDLVQLRHACAQIPFLRNALAPVVQAKKSKLLGQLDQELGDFKSLHQHLMAAIVENPPVLLRDGNVIAEGYDAELDELRQIRDHAGQFLIDLEIKERERTGISTLKIGYNRVSGYYIELTRAQAEQAPADYIRRQTLKNAERYITPELKSFEDKVLSSESRALAREKALFEALLENLRENIAHLQMMSSAIAQIDVIANFAHQARLNNWARPEFTPETGIKIQGGRHPVVEALSKAPFTPNDTFLDVQHRMAIITGPNMGGKSTFMRQTALISLLAYCGSYVPARAAKLGPIDRIFTRIGSADDLSTGKSTFMVEMTETSQILHHATNQSLVLMDEVGRGTSTYDGLSLAWACVVDLTKRVKCLCLFATHYFELTELGSE-PGIDNYHVTAQELNGNLILLHKVQQGPASQSHGLQVAKLAGIPANVIKEAQKRLRILEKQQQQHLQTSVQSDLFATLDSEVTPSIQVIEKVIEVEVSSPALDLLKQIEVDNLTPRQALEQLYELKAALNS
1WBB Chain:A ((6-797))--------NFDAHTPMMQQYLRLKAQHPEILLFYRMGDFYALFYDDAKRASQLLDISLTKRGASAGEPIPMAGIPYHAVENYLAKLVNQGESVAICEQIGDPATSKGPVERKVVRIVTPGTISDEALLQERQDNLLAAIWQDSKGFGYATLDISSGRFRLSEPADR-ETMAAELQRTNPAELLYAEDFAEMSLIEGRRG-----LRRRPLWEFEIDTARQQLNLQFGTRDLVGFGVENAPRGLCAAGCLLQYAKDTQRTTLPHIRSITMEREQDSIIMDAATRRNLEITQNLAGGAENTLASVLDCTVTPMGSRMLKRWLHMPVRDTRVLLERQQTIGALQDFTAG-----LQPVLRQVGDLERILARLALRTARPRDLARMRHAFQQLPELRAQLETV----DSAPVQALREKMGEFAELRDLLERAIIDTPPVLVRDGGVIASGYNEELDEWRALADGATDYLERLEVRERERTGLDTLKVGFNAVHGYYIQISRGQSHLAPINYMRRQTLKNAERYIIPELKEYEDKVLTSKGKALALEKQLYEELFDLLLPHLEALQQSASALAELDVLVNLAERAYTLNYTCPTFIDKPGIRITEGRHPVVEQVLNEPFIANPLNLSPQRRMLIITGPNMGGKSTYMRQTALIALMAYIGSYVPAQKVEIGPIDRIFTRVG-----------FMVEMTETANILHNATEYSLVLMDEIGRGTSTYDGLSLAWACAENLANKIKALTLFATHYFELTQLPEKMEGVANVHLDALEHGDTIAFMHSVQDGAASKSYGLAVAALAGVPKEVIKRARQKLRELE------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 1WBB.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 : 4055 1817 0.45 2.34
target 2D structure prediction score : 0.57
Monomeric hydrophicity matching model chain A : 0.83

3D Compatibility (PKB) : 0.45
2D Compatibility (Sec. Struct. Predict.) : 0.57
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.496

(partial model without unconserved sides chains):
PDB file : Tito_1WBB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1WBB-query.scw
PDB file : Tito_Scwrl_1WBB.pdb: