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



Input alignment information:
Query sequenceMAAFNVERITYVHHWNDTLFSFKTTRDASLRFKNGQFVMIGLEVNGKPLMRAYSIASANYEEELEFFSIKVQDGPLTSILQKVQVGDEILVS-KKPTGTLVHDDLLPGKNLYLLSSGTGLAPFLSIIRDPETYERFEKVIVVHGTRYISELAYQDLILNELPNNEFFEELGIKDKLVYYPTVTREPFHTQGRVTTAIETGALFEKIGLPRFNRETDRAMLCGSPAFLKDVAALLDQHGLVESPRMGEMGDYVIERAFVEK
2QDX Chain:A ((3-257))---LYTERVLSVHHWNDTLFSFKTTRNPGLRFKTGQFVMIGLEVDGRPLMRAYSIASPNYEEHLEFFSIKVPDGPLTSRLQHLKEGDELMVSRKP-TGTLVHDDLLPGKHLYLLSTGTGMAPFLSVIQDPETYERYEKVILVHGVRWVSELAYADFIT-KVLPEHEYFGDQVKEKLIYYPLVTREPFRNQGRQTDLMRSGKLFEDIGLPPMNPQDDRAMICGSPSMLEETSAVLDSFGLKISPRMGEPGDYLIERAFVEK


General information:
TITO was launched using:
RESULT:

Template: 2QDX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1430 -88413 -61.83 -348.08
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain A : 0.91

3D Compatibility (PKB) : -61.83
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.91
QMean score : 0.547

(partial model without unconserved sides chains):
PDB file : Tito_2QDX.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2QDX-query.scw
PDB file : Tito_Scwrl_2QDX.pdb: