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



Input alignment information:
Query sequenceMAEPILHIEGLDKKIGSKQILKQISMDVMEGEIIGLLGPNGSGKTTLIRIIVGLLKQNSGSVTISGFQHD---TEFEKAMEAVGAIVENPEFYPYLTGWENLK----HFANMHKKIADERLDEVVERVGLTSAIHDKVKTYSLGMRQRLGIAQAILHRPKLLILDEPTNGLDPAGMKDFRDHIKELAEMEGTAVLFATHLLREVEDLCDRVIIIQKGEIKAEVSLQGTDQTTEKAIIEVQPQEKALNWLTGNQYQAESQDGTIVVEVAKENIPELNRSLVGQDLNVFSITPYTQSLEDEFIKATTAHQEEGEELV
4YMW Chain:J ((1-217))----MIFVNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLAN-EGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEE---------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4YMW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1080 -141319 -130.85 -672.95
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain J : 0.72

3D Compatibility (PKB) : -130.85
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.72
QMean score : 0.529

(partial model without unconserved sides chains):
PDB file : Tito_4YMW.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4YMW-query.scw
PDB file : Tito_Scwrl_4YMW.pdb: