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


Input alignment information:
Query sequenceMDKILIRGARTHNLKNVDLTLPRDKLIVITGLSGSGKSSLAFDTLYAEGQRRYVESLSAYARQFLSMMEKPDVDTIEGLSPAISIEQKSTSHNPRSTVGTITEIYDYLRLLYARVGTPRCPDHDIPLEAQTVSQMVDQVLALPEGSKLMLLAPVIRERKGEHLAVFDEMRAQGFVRARVDGKLYELDEVPKLDKQKKHSIDVVVDRFKVRADLQQRLAESFETALSLADGIALVAPMDEDEDVEEIIFSARFACPVCGHSISELEPKLFSFNNPAGACPTCDGLGVKQFFDARRVV-NGELTLAEGAIRGWD-RRNVYYFQMLGSLAQHYGFSLEEPFDELGAEHQKVVLYGSGRENVDFRYLNDRGDIVKRSHPFEGILPNLERRYRETESATVREELAKFLSTQPCPDCHGTRLRREARHVWVGDRTLPAITAMPVGEACEYAAGLSLTGRRGEIAAKILKEIRDRLQFLVNVGLDYLTLDRSADTLSGGEAQRIRLASQIGAGLVGVMYILDEPSIGLHQRDNERLLGTLTHLRNLGNTVIVVEHDEDAIRLADYVVDIGPGAGVHGGQVVAEGTPDQVMNHPDSLTGKYLSGRKKIAVPAKRTPRDKKKLLKLKGARGNNLQNVNLEIPVGLFTCITGVSGSGKSTLINNTLFPITATALNGATTLEVAPYDSFDGLQHLDKVVDIDQSPIGRTPRSNPATYTGLFTPIRELFSGVPEARSRGYGPGRFSFNVKGGRCEACQGDGVIKVEMHFLPDIYVPCDVCKGKRYNRETLEIRYKGKSIHEVLEMTIEEAREFFDAVPALARKLQTLMDVGLSYIKLGQSATTLSGGEAQRVKLSRELSKRDTGKTLYILDEPTTGLHFADIQQLLDVLHRLRDHGNTVVVIEHNLDVIKTADWLVDLGPEGGSKGGQIIANGTPEQVAEMPQSHTGHFLKPLLERDRA
3UWX Chain:A ((21-961))MDKIIVKGARAHNLKNIDVEIPRGKLVVLTGLSGSGKSSLAFDTIYAEGQRRYVESLSAYARQFLGQMEKPDVDAIEGLSPAISIDQKTTSRNPRSTVGTVTEIYDYLRLLFARIGRPICPTHGIEIQSQTIEQMVDRLLSYPERTKMQILAPIVSGKKGTHAKTLEDIRKQGYVRVRIDREMRELTGDIELEKNKKHSIDVVVDRIIIKDGIAARLADSLETALKLADGKVVVDVIGEGE----LLFSEKHACPYCGFSIGELEPRLFSFNSPFGACPDCDGLGAKLEVDLDLVIPNDELTLKEHAIAPWEP----YYPQLLEAVCRHYGIPMDVPVKDLPKEQLDKILYGSGGEPIYFRYTNDFGQVREQYIAFEGVIPNVERRYRETSSDYIREQMEKYMAEQPCPTCQGYRLKKESLAVLVGGKHIGEVTAMSVTEALAFFDGLELTEKEAQIARLILREIRDRLGFLQNVGLDYLTLSRSAGTLSGGEAQRIRLATQIGSRLTGVLYVLDEPSIGLHQRDNDRLIATLKSMRDLGNTLIVVEHDEDTMLAADYLIDIGPGAGIHGGEVVAAGTPEEVMNDPNSLTGQYLSGKKFIPIPAERR-RPDGRWLEVVGAREHNLKNVSVKIPLGTFVAVTGVSGSGKSTLVNEVLYKALAQKLHRAKA-KPGEHRDIRGLEHLDKVIDIDQSPIGRTPRSNPATYTGVFDDIRDVFASTNEAKVRGYKKGRFSFNVKGGRCEACHGDGIIKIEMHFLPDVYVPCEVCHGKRYNRETLEVTYKGKNIAEVLDMTVEDALDFFASIPKIKRKLETLYDVGLGYMKLGQPATTLSGGEAQRVKLAAELHRRSNGRTLYILDEPTTGLHVDDIARLLDVLHRLVDNGDTVLVIEHNLDVIKTADYIIDLGPEGGDRGGQIVAVGTPEEVAEVKESHTGRYLKPILERDRA


General information:
TITO was launched using:
RESULT:

Template: 3UWX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		3D Compatibility (PKB) -456495 for 7867 contacts (-58.0/contact) +
2D Compatibility (PS) -101561 + (NN) -43937 + (LL) 672
1D Compatibility (HY) -105600 + (ID) 29500
Total energy: -736421.0 ( -93.61 by residue)
QMean score : 0.538

(partial model without unconserved sides chains):
PDB file : Tito_3UWX.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3UWX-query.scw
PDB file : Tito_Scwrl_3UWX.pdb: