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



Input alignment information:
Query sequenceMLDTQQIKEIIPHRYPFLLVDRITEVEEGKRAKGYKNVTANEEFFNGHFPQYPVMPGVLIVEALAQVGAVAMLIKEEN-RGRLAFFAGIDNCRFKKQVKPGDQLHLEVEIIRARGTIGRGK--GVATVDGEVVCEV-ELTFALGE
3AZA Chain:U ((11-152))-IDIEDIKKILPHRYPFLLVDKVIYMQPNKTIIGLKQVSTNEPFFNGHFPQKQIMPGVLQIEALAQLAGILCLKSDDSQKNNLFLFAGVDGVRWKKPVLPGDTLTMQANLISFKSSLGIAKLSGVGYVNGKVVINISEMTFAL--


General information:
TITO was launched using:
RESULT:

Template: 3AZA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain U - contact count / total energy / energy per contact / energy per residue : 635 -39678 -62.48 -287.52
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain U : 0.84

3D Compatibility (PKB) : -62.48
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.552

(partial model without unconserved sides chains):
PDB file : Tito_3AZA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3AZA-query.scw
PDB file : Tito_Scwrl_3AZA.pdb: