Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKSKILLQLMQGKIVAVIRGNSQEEAFQAAQACIKGGISAIEIAYTNSKASQVIEQLVTQYTNQEQVVVGAGTVLDSETARMAILAGAKFIVSPAFNLQTAKLCNRYAIPYLPGCMTLSEVTTALEAGCEIIKIFPGGTLGTSFISSLKAPLPQVQIMVTGGVNLTNAKDWFLSGVTAIGIGGEFNKLAALGEFDKITEMAKQYKIQLNLN
1WA3 Chain:A ((3-200))
-----MEELFKKHKIVAVLRANSVEEAKEKALAVFEGGVHLIEITFTVPDADTVIKELSFLKE-K-GAIIGAGTVTSVEQCRKAVESGAEFIVSPHLDEEISQFCKEKGVFYMPGVMTPTELVKAMKLGHTILKLFPGEVVGPQFVKAMKGPFPNVKFVPTGGVNLDNVCEWFKAGVLAVGVGSALVKGT----PDEVREKAKAFVEKIRGC
General information:
TITO was launched using:
RESULT:
Template:
1WA3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -178003 for 1753 contacts (-101.5/contact) +
2D Compatibility (PS) -21492 + (NN) -9125 + (LL) 788
1D Compatibility (HY) -14000 + (ID) 3850
Total energy: -225682.0 ( -128.74 by residue)
QMean score : 0.640
(partial model without unconserved sides chains):
PDB file :
Tito_1WA3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1WA3-query.scw
PDB file :
Tito_Scwrl_1WA3.pdb
: