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



Input alignment information:
Query sequenceMSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDLRKNIGMVFQKGNPFPQSIFDNVAYGPRVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHT----SALSLSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILELKDKYTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG
4AYW Chain:A ((391-598))----------------------------FQDFSLSIPSGSVTALVGPSGSGKST---VLSLLLRLYDPA--SGTISLDGHDI--RQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVA-NAVAFIRNFPQGFNTVVGEKGVLLSGGQKQRIAIARALLKNPKILLLDE----LDAENEYLVQEALDRLMDGRTVLVIAHHL-STIKNANMVAVLDQGKITEYGKHEE-------------------


General information:
TITO was launched using:
RESULT:

Template: 4AYW.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 : 927 -35027 -37.79 -175.14
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.74

3D Compatibility (PKB) : -37.79
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.74
QMean score : 0.541

(partial model without unconserved sides chains):
PDB file : Tito_4AYW.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4AYW-query.scw
PDB file : Tito_Scwrl_4AYW.pdb: