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



Input alignment information:
Query sequenceMVILEANKIRKSYGNKLNKQEVLKGIDIHIEKGEFVSIMGASGSGKTTLLNVLSSIDQVSHGTIHINGNDMTAMKEKQLAEFRKQHLGFIFQDYNLLDTLTVKENILL-PLSITKLSKKEANRKFEEVAKELGIYELRDKYPNEISGGQKQRTSAGRAFIHDPSIIFADEPTGALDSKSASDLLNKLSQLNQKRNATIIMVTHDPVAASYCG-RVIFIKDGQMYTQLNKGGQDRQTFFQDIMKTQGVLGGVQHEH
4YMS Chain:J ((4-226))-----VNDVYKNFGS----LEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGK-VNINKVR-QKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE-GMTMVVVTHEMGFAREVGDRVIFMDDGVIVEE----GTPEEIFYR----------------


General information:
TITO was launched using:
RESULT:

Template: 4YMS.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 : 1125 -56026 -49.80 -253.51
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain J : 0.80

3D Compatibility (PKB) : -49.80
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.80
QMean score : 0.443

(partial model without unconserved sides chains):
PDB file : Tito_4YMS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4YMS-query.scw
PDB file : Tito_Scwrl_4YMS.pdb: