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



Input alignment information:
Query sequenceMLFISATNTNAGKTTCARLLAQYCNACGVKTILLKPIETGVNDAINHSSDAHLFLQDNRLLDRSLTLKDISFYRYHKASAPLIAQQEEDPNAPIDTDNLTQRLHNFTKTYDLVIVEGAGGLCVPITLEENMLDFALKLKAKMLLISHDNLGLINDCLLNDFLLKSYQLDYKIAINLRGNNTAFYSVSLPYIELFNKRSNNPIVIFQQSLKELMSFALK
3MLE Chain:E ((23-240))MLFISATNTNAGKTTCARLLAQYCNACGVKTILLKPIETGVNDAINHSSDAHLFLQDNRLLDRSLTLKDISFYRYHKVSAPLIAQQEEDPNAPIDTDNLTQRLHNFTKTYDLVIVEGAGGLCVPITLEENMLDFALKLKAKMLLISHDNLGLINDCLLNDFLLKSHQLDYKIAINLKGNNTAFHSISLPYIELFNTRSNNPIVIFQQSLKVLMSFALK


General information:
TITO was launched using:
RESULT:

Template: 3MLE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155583 for 1794 contacts (-86.7/contact) +
2D Compatibility (PS) -23388 + (NN) -10607 + (LL) 0
1D Compatibility (HY) -32400 + (ID) 10550
Total energy: -232528.0 ( -129.61 by residue)
QMean score : 0.536

(partial model without unconserved sides chains):
PDB file : Tito_3MLE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3MLE-query.scw
PDB file : Tito_Scwrl_3MLE.pdb: