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



Input alignment information:
Query sequenceMDDFIRIKGAREHNLQGVDVNIPKNKLVVITGLSGSGKSSLAFDTIYAEGQRRYVESLSAYARQFLNIQDKPDVESITGLSPAISINQKSISKNPRSTVGTVTEIYDYLRLMYARIGIPYSPATGLPIAKQTVSQIVDTIMALPLETKIYILAPIVRGRKGEHLKEILEIKKQGYVRLKIDGEVHNIDDLPKLDENKKHNIFVVADRILVSDNIGNRLPSSIESALRLGHGLMYAEIMSLPDNHNSEYKDGQILTFSENFACPESGFTLEELEPRLFSFNSPYGACYLCNGLGKKLDIDIKLIVPDETLSISEGALRPVGSMSRQVHASYGFLKSAILSLAENRKFSLDIPWKNIDQKVKNVILFGSKET--K----------------FRGLVGILENQ-----IDYDETLIERYCSVANCKECVGFRIRKEALTVKIDGRHIGEISRLSIDEFLKWFENLPSKLTEQQKQISNKILNEIIKRLTFLKNVGLNYLTLDRESSTLSGGESQRIRLASQIGSGLTGVLYVLDEPSIGLHQCDNDRLIATLKNLRDMGNTVIVVEHDEDTIMAADYAIDIGPGAGVNGGKIVAEGTPDQVQRSSKSITGQYLSGKKTISIPK-RRKRATQYIKVVNACENNLKNIDVEFPIGNLICVTGISGGGKSSLVVETLYKYLARKMYDSSAKYGQCDKIEGLEYIDKIIEIDQSPIGRTPASNPATYVGIFTHVRNWFAGLPESKARGYNIGRFSFNTKGGRCEACKGDGHLRVEMHFLPDVYVKCEQCKGRRYNRETLEVTYKGKSVSDVLDMTIDQACDFFDNLPMVKEKLVSLQEVGLGYIKLGQPSTTLSGGEAQRIKLSRELSKRSTGRTLYILDEPTTGLHFEDVNNLLKILHKLVDLGNTVIVIEHNLHVIKTADYIIDIGPEGGMKGGKVVATGTPEEIIDIPESITGKYLKPYLSKLIKV
2R6F Chain:A ((21-961))-MDKIIVKGARAHNLKNIDVEIPRGKLVVLTGLSGSGKSSLAFDTIYAEGQRRYVESLSAYARQFLGQMEKPDVDAIEGLSPAISIDQKTTSRNPRSTVGTVTEIYDYLRLLFARIGRPICPTHGIEIQSQTIEQMVDRLLSYPERTKMQILAP----------------------------------------------IDVVVDRIIIKDGIAARLADSLETALKLADGKVVVDVIG-----------EGELLFSEKHACPYCGFSIGELEPRLFSFNSPFGACPDCDGLGAKLEVDLDLVIPNDELTLKEHAIAPWEP--------YYPQ--LLEAVCRHYGIPMDVPVKDLPKEQLDKILYGSGGEPIYFRYTNDFGQVREQYIAFEGVIPNVERRYRETSSDYIREQMEKYMAEQPCPTCQGYRLKKESLAVLVGGKHIGEVTAMSVTEALAFFDGLELTE--KEAQIARLILREIRDRLGFLQNVGLDYLTLSRSAGTLSGGEAQRIRLATQIGSRLTGVLYVLDEPSIGLHQRDNDRLIATLKSMRDLGNTLIVVEHDEDTMLAADYLIDIGPGAGIHGGEVVAAGTPEEVMNDPNSLTGQYLSGKKFIPIPAERRRPDGRWLEVVGAREHNLKNVSVKIPLGTFVAVTGVSGSGKSTLVNEVLYKALAQKLHRAKAKPGEHRDIRGLEHLDKVIDIDQSPIGRTPRSNPATYTGVFDDIRDVFASTNEAKVRGYKKGRFSFNVKGGRCEACHGDGIIKIEMHFLPDVYVPCEVCHGKRYNRETLEVTYKGKNIAEVLDMTVEDALDFFASIPKIKRKLETLYDVGLGYMKLGQPATTLSGGEAQRVKLAAELHRRSNGRTLYILDEPTTGLHVDDIARLLDVLHRLVDNGDTVLVIEHNLDVIKTADYIIDLGPEGGDRGGQIVAVGTPEEVAEVKESHTGRYLKPILERDRAR


General information:
TITO was launched using:
RESULT:

Template: 2R6F.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -457883 for 7392 contacts (-61.9/contact) +
2D Compatibility (PS) -93598 + (NN) -28819 + (LL) 3932
1D Compatibility (HY) -90400 + (ID) 25900
Total energy: -692668.0 ( -93.71 by residue)
QMean score : 0.490

(partial model without unconserved sides chains):
PDB file : Tito_2R6F.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2R6F-query.scw
PDB file : Tito_Scwrl_2R6F.pdb: