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



Input alignment information:
Query sequenceMFDNPDRSQNWSKTGKIADSSDLLPRFPELQRQPCQITSLGSAGGLSGGAIWRIECDRRLYALRRWPAETTSARLRYVHSL-QRLWRESNLKFIPELYTTAEGESFTENALGFWELAEWMPG-AALEGDTISPQQRDAVAAAIAAI-HQAAAQHESSLEPSPGLRQRLTMLQRWRTMDRTMLQDAIQRLGWPEFAAIAQQMLQSFAYAANTIGDELQAIVSTPLPLHACLRDIHREHIFLTGALVSGVLDFGAVRIESRAGDLARLCGSLF-----EDDRNRWDDFLARYERLRPLSAAERRAIAVFDRSAVLLTGLQWIEWIALERR----QFPDPAAVLSRLDISLR---RLQFLLK
2PPQ Chain:A ((5-320))------------TDITEDELRNFLTQYD--------VGSLTSYKGIAENSNFLLHTTKDPLILTLYE---KKNDLPFFLGLMQHLAAKGLS--CPLPLPRKDGELLGELSGRPAALISFLEGMWLRK----PEAKHCREVGKALAAMHLASEGFEIKRPNALS--------------------VDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA


General information:
TITO was launched using:
RESULT:

Template: 2PPQ.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 : 1411 -76521 -54.23 -259.39
target 2D structure prediction score : 0.45
Monomeric hydrophicity matching model chain A : 0.66

3D Compatibility (PKB) : -54.23
2D Compatibility (Sec. Struct. Predict.) : 0.45
1D Compatibility (Hydrophobicity) : 0.66
QMean score : 0.292

(partial model without unconserved sides chains):
PDB file : Tito_2PPQ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2ppq-query.scw
PDB file : Tito_Scwrl_2PPQ.pdb: