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



Input alignment information:
Query sequenceMTKLSEMLQETTQFILDKGVKEIDFGLILGSGLGELADEIEDAVMISYDEIPFFPVSTVVGHAGKLVYGSLAGKKVLAMQGRFHYYEGHSMQTVTYPVRVMAGLGAHSVIVTNACGGVNESFVPGDLMLITDHINFTG---ENPLIGPNEDAMGPRFPDMSQAYTPDYQATA-KAAAEKLGLDL-KEGVYMGYSGPTYETPAEIRMSRTIGADAVGMSTVPEVIVAAHSGLKVLGISCITN---LAAGMQANLSHEEVVETTQRVKQSFKALVKETLTLL
5CXS Chain:A ((28-284))-----------------------DIGIICGSGLGKLIEEIEERKVIPYINIPNFPKTTVAGHVGNLVLGSVGGRKIVAMQGRLHMYEGYSNQEIALPIRVMKLLGVRVLLITNLAGGINRKLKSGDFVLIKGHINFPGLGLNNVLVGPNQDEFGPRFPDLSNAYDRLLQQLALKIAQENDFQDLVHEGVYAFNGGPTYESPDESNMLLKLGCDVVGMSTVPEVIIACHCGIKVLAVSLIANNSILDAENDVSINHEKVLAVAEKRADLLQMWFKEIITRL


General information:
TITO was launched using:
RESULT:

Template: 5CXS.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 : 1333 -124111 -93.11 -498.44
target 2D structure prediction score : 0.58
Monomeric hydrophicity matching model chain A : 0.81

3D Compatibility (PKB) : -93.11
2D Compatibility (Sec. Struct. Predict.) : 0.58
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.583

(partial model without unconserved sides chains):
PDB file : Tito_5CXS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5CXS-query.scw
PDB file : Tito_Scwrl_5CXS.pdb: