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



Input alignment information:
Query sequenceMSIATEAVMKQEVYQVNGMNLWYGQHHALKNINLSIYENEVTAIIGPSGCGKSTFIKTLNLMIQMTPNVKLAGELNYNGSNILKDKVDIVDLRKNIGMVFQKGNPFPQ-SIFDNVAYGPRVHGTKNKKKLQEIVEKSLKDVALWDEVKDRLHTSALSLSGGQQQRLCIARALATNPDILLMDEPTSALDPISTRKIEELILELKDK-YTIVIVTHNMQQAARVSDQTAFFYMGELVECDNTNKMFSNPKDQRTLDYISGKFG
4YMU Chain:J ((4-237))---------------VNDVYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPT-----KGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDK-KDQY---PIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIFYRAKNERTREFLS----


General information:
TITO was launched using:
RESULT:

Template: 4YMU.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 : 1201 -65610 -54.63 -282.80
target 2D structure prediction score : 0.76
Monomeric hydrophicity matching model chain J : 0.79

3D Compatibility (PKB) : -54.63
2D Compatibility (Sec. Struct. Predict.) : 0.76
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.458

(partial model without unconserved sides chains):
PDB file : Tito_4YMU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4YMU-query.scw
PDB file : Tito_Scwrl_4YMU.pdb: