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



Input alignment information:
Query sequenceMAKPVVAIVGRPNVGKSTIFNRIVGERVSIVEDVPGVTRDRIYNSAEWLGKEFNIIDTGGIDLSDEPFLEQIRAQAEIAIDEADVIIFITNGREGVTDADEQVAKILYRSNKPIVLAINKVDNPEMRDQIYDFYSLGFGEPYPISGSHGLGLGDMLDAVRAHFPKEEEEEYPDDTVKFSLIGRPNVGKSSILNALLGEDRVIVSDIAGTTRDAIDTTYTFDGQDYVMIDTAGMRKRGKVYESTEKYSVLRAMRAIERSDVVLVVINAEEGIREQDKRIAGYAHDAGRAIIIVVNKWDAINKDEKTINVWTEDIREQFQFLSYAPIVFVSAKTKQRLNNLFPLINQVSDNHSLRVQSSMLNDVISDAVAMNPSPMDKGKRLKIFYTTQVAVKPPTFVVFVNDPELMHFSYERFLENRIREAFPFEGTPIRVIARKRK
4DCS Chain:A ((23-455))--KPVVAIVGRPNVGKSTIFNRIAGERIS-----------RIYSSAEWLNYDFNLIDTGG------PFLAQIRQQAEIAMDEADVIIFMVNGREGVTAADEEVAKILYRTKKPVVLAVNKL----MRANIYDFYSLGFGEPYPISGTHGLGLGDLLDAVAEHFKNIPETKYNEEVIQFCLIGRPNVGKSSLVNAMLGEERVIVSN------DAVDTSFTYNQQEFVIVDTAGMRKKGKVYETTEKYSVLRALKAIDRSEVVAVVLDGEEGIIEQDKRIAGYAHEAGKAVVIVVNKWDAVDKDESTMKEFEENIRDHFQFLDYAPILFMSALTKKRIHTLMPAIIKASENHSLRVQTNVLNDVIMDAVAMNPTPTHNGSRLKIYYATQVSVKPPSFVVFVNDPELMHFSYERFLENRIRDAFGFEGTPIKIFARAR-


General information:
TITO was launched using:
RESULT:

Template: 4DCS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -274182 for 3203 contacts (-85.6/contact) +
2D Compatibility (PS) -44443 + (NN) -13533 + (LL) 1480
1D Compatibility (HY) -53600 + (ID) 14700
Total energy: -398978.0 ( -124.56 by residue)
QMean score : 0.633

(partial model without unconserved sides chains):
PDB file : Tito_4DCS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4DCS-query.scw
PDB file : Tito_Scwrl_4DCS.pdb: