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



Input alignment information:
Query sequenceMTIQWFPGHMAKARREVTEKLKLIDIVYELVDARIPMSSRNPMIEDILKNKPRIMLLNKADKADAAVTQQWKEHFENQGIRSLSINSVNGQGLNQIVPASKEILQEKFDRMRAKGVKPRAIRALIIGIPNVGKSTLINRLAKKNIA-----KTGDRPGITTSQQWVKVGKELELLDTPGILWPKFEDELVG----LRLAVTGAIKDSIINLQD--VAVFG--LRFLEEHYPERLKERYGLDEI---PEDIAELFDAIGEKRGCLMS----------GGLINYDKTTEVIIRDIRTEKFGRLSFEQPTM-------------------
3EC1 Chain:A ((59-369))----------DDFLSMLHRIGESKALVVNIVDIFDFNGSFIPGLPRFAADNPILLVGNKADLLPRSVKYPKLLRWMRRMAEELGLCPVDVCLVSAAKGIGMAKVMEAINRYREGG------DVYVVGCTNVGKSTFINRIIEEATGKGNVITTSYFPGTTLDMIEIPLESGATLYDTPGIINHHQMAHFVDARDLKIITPKREIHPRVYQLNEGQTLFFGGLARLDYIKGGRRSFVCYMANELTVHRTKLEKADSLYANQLGELLSPPSKRYAAEFPPLVPRSLSVKERKTDIVFSGLGWVTCNDPGAQLVVHAPKGVDVFIRQSLI


General information:
TITO was launched using:
RESULT:

Template: 3EC1.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 : 1277 -111904 -87.63 -420.69
target 2D structure prediction score : 0.47
Monomeric hydrophicity matching model chain A : 0.64

3D Compatibility (PKB) : -87.63
2D Compatibility (Sec. Struct. Predict.) : 0.47
1D Compatibility (Hydrophobicity) : 0.64
QMean score : 0.233

(partial model without unconserved sides chains):
PDB file : Tito_3EC1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3EC1-query.scw
PDB file : Tito_Scwrl_3EC1.pdb: