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



Input alignment information:
Query sequenceMETRPTALMSSTVAAAAPAAGAASRKESPGRWGLGEDPTGVSPSLQCRVCGDSSSGKHYGIYACNGCSGFFKRSVRRRLIYRCQVGAGMCPVDKAHRNQCQACRLKKCLQAGMNQDAVQNERQ-PRSTAQVHLDSMESNTESRPESLVAPPAPAGRSPRGPTPMSAARALGHHFMASLITAETCAKLEPEDADENIDVTSNDPEFPSSPYSSSSPCGLDSIHETSARLLFMAVKWAKNLPVFSSLPFRDQVILLEEAWSELFLLGAIQWSLPLDSCPLLAPPEASAAGGAQGRLTLASMETRVLQETISRFRALAVDPTEFACMKALVLFKPETRGLKDPEHVEALQDQSQVMLSQHSKAHHPSQPVRFGKLLLLLPSLRFITAERIELLFFRKTIGNTPMEKLLCDMFKN
4NQA Chain:A ((38-359))----------------------------------------------CAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKD-CLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRG-----------SSANEDMPVERILE-AELAVEPKTETY-EANMGL-------------------------------NPSSPNDPVTN--------ICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHS-AGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLE-


General information:
TITO was launched using:
RESULT:

Template: 4NQA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112235 for 2322 contacts (-48.3/contact) +
2D Compatibility (PS) -32952 + (NN) -19082 + (LL) 4832
1D Compatibility (HY) -26400 + (ID) 6550
Total energy: -192387.0 ( -82.85 by residue)
QMean score : 0.473

(partial model without unconserved sides chains):
PDB file : Tito_4NQA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4NQA-query.scw
PDB file : Tito_Scwrl_4NQA.pdb: