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



Input alignment information:
Query sequenceMGRLENKTAVITGAATGIGQATAEVFANEGARVIIGDINKDQMEETVDAIRKNGGQAESFHLDVSDENSVKAFADQIKDACGTIDILFNNAGVDQEGGKVHEYPVDLFDRIIAVDLRGTFLCSKYLIPLMLENG-GSIINTSSMSGRAADLDRSGYNAAKGGITNLTKAMAIDYARNGIRVNSISPGTIETPLIDKLAGTKEQEMGEQFREANKWITPLGRLGQPKEMATVALFLASDDSSYVTGEDITADGGIMAYTWPGKMLIEEKWKEETK
4NBU Chain:B ((8-249))MSRLQDKVAIITGAANGIGLEAARVFMKEGAKVVIADFNEAAGKEAVEA---NPGVV-FIRVDVSDRESVHRLVENVAERFGKIDILINNAGITRDS-MLSKMTVDQFQQVINVNLTGVFHCTQAVLPYMAEQGKGKIINTSSVTGTYGNVGQTNYAAAKAGVIGMTKTWAKELARKGINVNAVAPGFTETAMV--------AEVPEKVIEKMKAQVPMGRLGKPEDIANAYLFLASHESDYVNGHVLHVDGGIM-------------------


General information:
TITO was launched using:
RESULT:

Template: 4NBU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1385 -66673 -48.14 -276.65
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain B : 0.84

3D Compatibility (PKB) : -48.14
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.542

(partial model without unconserved sides chains):
PDB file : Tito_4NBU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4NBU-query.scw
PDB file : Tito_Scwrl_4NBU.pdb: