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


Input alignment information:
Query sequenceMNSTEIMADLSSHTPMMQQYLKVKKDYQHALLFYRMGDFYELFFEDAHLAAKLLGITLTHRGKANGNPIPMAGVPYHSAEGYLARLVKAGRTVAICEQVGEVTGKGPVERKVVRILTPGTLTDDALLTSYQSSNLVALCIHQNQIGFALLDLSAGIFKVQQQDYKPEQLPIELARLMPSEILIDEDLVDPNIIEQIKKHLDCPVTKRPNVDFNLNNAQKTLCDQFSVSTLSGFGLDPLPLAKAAAAALIHYAKETQKTALPHIRSILLEQSTDFIALDPITRRNLEIIEPLFEHGTSLFQLVNDCQ-TAMGGRLLSRTLMQPVRDTALLDAR---LDAIEQLIQGYHESPVRLVLKEIGDIERVLSRVALGSARPRDLVQLRHACAQIPFLRNALAPVVQAKKSKLLGQLDQELGDFKSLHQHLMAAIVENPPVLLRDGNVIAEGYDAELDELRQIRDHAGQFLIDLEIKERERTGISTLKIGYNRVSGYYIELTRAQAEQAPADYIRRQTLKNAERYITPELKSFEDKVLSSESRALAREKALFEALLENLRENIAHLQMMSSAIAQIDVIANFAHQARLNNWARPEFTPETGIKIQGGRHPVVEALSKAPFTPNDTFLDVQHRMAIITGPNMGGKSTFMRQTALISLLAYCGSYVPARAAKLGPIDRIFTRIGSADDLSTGKSTFMVEMTETSQILHHATNQSLVLMDEVGRGTSTYDGLSLAWACVVDLTKRVKCLCLFATHYFELTELGSE-PGIDNYHVTAQELNGNLILLHKVQQGPASQSHGLQVAKLAGIPANVIKEAQKRLRILEKQQQQHLQTSVQSDLFATLDSEVTPSIQVIEKVIEVEVSSPALDLLKQIEVDNLTPRQALEQLYELKAALNS
1WBB Chain:B ((14-797))----------------MQQYLRLKAQHPEILLFYRMGDFYALFYDDAKRASQLLDISLT----------PMAGIPYHAVENYLAKLVNQGESVAICE------------RKVVRIVTPGTISDEALLQERQDNLLAAIWQDSKGFGYATLDISSGRFRLSEPADR-ETMAAELQRTNPAELLYAEDFAEMSLIEGRRG-----LRRRPLWEFEIDTARQQLNLQFGTRDLVGFGVENAPRGLCAAGCLLQYAKDTQRTTLPHIRSITMEREQDSIIMDAATRRNLEITQNLAGGAENTLASVLDCTVTPMGSRMLKRWLHMPVRDTRVLLERQQTIGALQDFTAG-----LQPVLRQVGDLERILARLALRTARPRDLARMRHAFQQLPELRAQLETV----DSAPVQALREKMGEFAELRDLLERAIIDTPPVLVRDGGVIASGYNEELDEWRALADGATDYLERLEVRERERTGLDTLKVGFNAVHGYYIQISRGQSHLAPINYMRRQTLKNAERYIIPELKEYEDKVLTSKGKALALEKQLYEELFDLLLPHLEALQQSASALAELDVLVNLAERAYTLNYTCPTFIDKPGIRITEGRHPVVEQVLNEPFIANPLNLSPQRRMLIITGPNMGGKSTYMRQTALIALMAYIGSYVPAQKVEIGPIDRIFTRVG----------TFMVEMTETANILHNATEYSLVLMDEIGRGTSTYDGLSLAWACAENLANKIKALTLFATHYFELTQLPEKMEGVANVHLDALEHGDTIAFMHSVQDGAASKSYGLAVAALAGVPKEVIKRARQKLRELE------------------------------------------------------------------------


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 B - contact count / total energy / energy per contact / energy per residue : 3862 -186856 -48.38 -250.48
target 2D structure prediction score : 0.56
Monomeric hydrophicity matching model chain B : 0.82

3D Compatibility (PKB) : -48.38
2D Compatibility (Sec. Struct. Predict.) : 0.56
1D Compatibility (Hydrophobicity) : 0.82
QMean score : 0.508

(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: