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



Input alignment information:
Query sequence----------------------------------------------------------------------------------------------------------------------------------MKKPVPKIYRTTNWSSYNQALIKRGNISIWFDPKTQWYAQPQGKHGRNQTYSDAAIQCCLMIKSLFRLSLRMVTGFAQSLIKLCGLNWTAPDYSTLCRRQKRIDIAISYQQSRDGLHLLVDSTGLKFLGEGEWKRKKHQPAYRRQWRKLHIGIDAKTLQIRAVQLTTNNVSDSQVLGDLLDQIPLDERIDSVYTEGAYDTKHCRQVILDRDAHAVIPPRKNAKPWKDKKLRSLERNELLKTVKRLGRSLWKKWSGYHRRSLVETKMHCIK----------------------------------------------------------------
3WRY Chain:A ((8-431))SPRVFCIGTADTKFDELRFLSEHVRSSLNSFSNKSSFKVGVTVVDVSTSWKETNSCADFDFVPSKDVLSCHTLGEETMGTFADTRGLAIAIMSKALETFLSIANDEQNLAGVIGLGGSGGTSLLSSAFRSLPIGIPKVIISTVASGQTESYIGTSDLVLFPSVVDICGINNVSKVVLSNAGAAFAGMVIGRLESKFTVGVTMF-GVTTPCVNAVKERLVKEGYETLVFH----------------------ATG---------------VGGRAMEDLVRGGFIQGVLDITTTEVADYVVGGVMACDSSRFDAILEKKIPLVLSVGALD-------MVNFGPKTTIPPEFQQRKIHEHN----EQVSLMRTTVGENKKFAAFIAEKLNKASSSVCVCLPEKGVSALDAPGKDFYDPEATSCLTRELQMLLENNERCQVKVLPYHINDAEFANALVDSFLEISPK


General information:
TITO was launched using:
RESULT:

Template: 3WRY.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 : 1056 22776 21.57 103.06
target 2D structure prediction score : 0.42
Monomeric hydrophicity matching model chain A : 0.59

3D Compatibility (PKB) : 21.57
2D Compatibility (Sec. Struct. Predict.) : 0.42
1D Compatibility (Hydrophobicity) : 0.59
QMean score : 0.112

(partial model without unconserved sides chains):
PDB file : Tito_3WRY.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3WRY-query.scw
PDB file : Tito_Scwrl_3WRY.pdb: