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



Input alignment information:
Query sequenceMNNTKQPVVILVGPTAVGKTNLSIQLAKSLNAEIISGDSMQIYKGMDIGTAKITEQEMEGVPHHLIDILDPQDSFSTADYQSLVRNKISEIANRGKLPMIVGGTGLYIQSVLYDYTFTEEANDPVFRESMQMAAEREGADFLHAKLAAADPEAAAAIHPNNTRRVIRALEILHTSGKTMSQHLKEQKRELLYNAVLIGLTMD-RDTLYERINQRVDLMMQSGLLPEVKRLYDKN--VRDCQSIQAIGYKELYAYFDGFVTLSDAVEQLKQNSRRYAKRQLTWFRNKMQVTWFDMTPPVDMELKKKEIFTHIAGKLEL
3CRR Chain:A ((6-302))------PAIFLMGPTAAGKTDLAMALADALPCELISVDSALIYRGMDIGTAKPSRELLARYPHRLIDIRDPAESYSAAEFRADALAAMAKATARGRIPLLVGGTMLYYKALLEG---------------------------------------------------------------------------LPYTVAQLAIAPEQRQVLHARIAQRFRQMLEQGFIAEVEALHARSDLHAGLPSIRAVGYRQVWDYLDGKLSYAEMTERGIIATRQLAKRQFTWLRSWSHLHWMD------------------------


General information:
TITO was launched using:
RESULT:

Template: 3CRR.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 : 1024 -144641 -141.25 -692.06
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.75

3D Compatibility (PKB) : -141.25
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.75
QMean score : 0.532

(partial model without unconserved sides chains):
PDB file : Tito_3CRR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3CRR-query.scw
PDB file : Tito_Scwrl_3CRR.pdb: