Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEVRDVNFSYNGTD--AILKNVSFTIQKNKINTIVGPNGSGKSTLLEILARLLSPNSGDVLLEGKSIFEWKAKEFAQNVAIVHQSNVLPNELMVKELLYFGRLPYK--NWRMTRTKE--DDLAVERALMQTELTEKAEKFVDSLSGGERQRVFIATALVQDTPILLLDEPTTFLDMYFQLEILELVKRLNQEENLTIVMILHDLNQALMYSDHLIVMKNGEVVAKGEPEELLTTDLIAETYGVVADVLNDANNGKYIVPQRRKEF
4AYT Chain:A ((342-567))
LEFKNVHFAYPARPEVPIFQDFSLSIPSGSVTALVGPSGSGKSTVLSLLLRLYDPASGTISLDGHDIRQLNPVWLRSKIGTVSQEPILFSCSIAENIAYGADDPSSVTAEEIQRVAEVANAVAFIRNFPQGFNTVVGEKGV-LLSGGQKQRIAIARALLKNPKILLLDEATSALDAENEYLVQEALDRL--MDGRTVLVIAHRLS-TIKNANMVAVLDQGKITEYGKHEE-----------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4AYT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -101378 for 1714 contacts (-59.1/contact) +
2D Compatibility (PS) -23972 + (NN) -9143 + (LL) 2572
1D Compatibility (HY) -13600 + (ID) 3550
Total energy: -149071.0 ( -86.97 by residue)
QMean score : 0.431
(partial model without unconserved sides chains):
PDB file :
Tito_4AYT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4AYT-query.scw
PDB file :
Tito_Scwrl_4AYT.pdb
: