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



Input alignment information:
Query sequenceMKEEKRSSTGFLVKQRAFLKLYMITMTEQERLYGLKLLEVLRSEFKEIGFKPNHTEVYRSLHELLDDGILKQIKVKKEGAKLQEVVLYQFKDYEAAKLYKKQLKVELDRCKKLIEKALSDNF
2DPD Chain:B ((6-122))-----RSSTGFLVKQRAFLKLYMITMTEQERLYGLKLLEVLRSEFKEIGFKPNHTEVYRSLHELLDDGILKQIKVKKEGAKLQEVVLYQFKDYEAAKLYKKQLKVELDRSKKLIEKALSDNF


General information:
TITO was launched using:
RESULT:

Template: 2DPD.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 : 342 -41242 -120.59 -352.50
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain B : 0.99

3D Compatibility (PKB) : -120.59
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.99
QMean score : 0.701

(partial model without unconserved sides chains):
PDB file : Tito_2DPD.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2DPD-query.scw
PDB file : Tito_Scwrl_2DPD.pdb: