Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLIVLAGTIGAGKSSLAAALGQHLGTDVF--------YEAVDNNPVLDLYYQDPKKYAFLLQIFFLNKRFQSIKEAYKANNNVLDRSIFEDELFLTLNY-KNGNVTKTELDIYKELLANMLEE----LEGMPKKRPDLLVYIDVSFDKMLERIDKRGRSFEQVDSNPELYDYYKQVHSEYPEWYENYDVSPKIRIDGNKLDFVKNPEDLQHVLDTIDSELQKLDLL
2VQS Chain:A ((23-190))
--VLIEGNIGSGKTTYLNHFEKY-KNDICLLTEPVEKWRNVNGVNLLELMYKDPKKWAMPFQSYVTLTMLQSHTAPTNKKLKIMERSIFSARYCFVENMRRNGSL---EQGMY-----NTLEEWYKFIEESIHVQADLIIYLRTSPEVAYER------------P----LKYLQELHELHEDWLIHPQSCKVLVLDAD----------------------------
General information:
TITO was launched using:
RESULT:
Template:
2VQS.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -62607 for 967 contacts (-64.7/contact) +
2D Compatibility (PS) -15529 + (NN) -6999 + (LL) 3216
1D Compatibility (HY) -12800 + (ID) 2050
Total energy: -96769.0 ( -100.07 by residue)
QMean score : 0.369
(partial model without unconserved sides chains):
PDB file :
Tito_2VQS.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2VQS-query.scw
PDB file :
Tito_Scwrl_2VQS.pdb
: