Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MPKPADHRNHAAVSTSVLSALFLGAGAALLSACSSPQHASTVPGTTPSIWTGSPAPSGLSGHDEESPGAQSLTSTLTAPD-GTKVATAKFEFANGYATVTIATTGVGKLTPGFHGLHIHQVGKCEPNSVAPTGGAPGNFLSAGGHYHVPGHT-------GTPASGDLASLQVRGDGSAMLVTTTDAFTMDDLLSGAKTAIIIHAGADNFANIPPERYVQVNGTPGPDETTLTTGDAGKRVACGVIGSG
2AQP Chain:A ((12-164))
--------------------------------------------------------------------IEVKVQQLDPVNGNKDVGTVTITESNYGLVFTPDLQ---GLSAGLHGFHIHENPSCEPKEK---EGKLTAGLGAGGHWDPKGAKQHGYPWQDDAHLGDLPALTVLHDGTATNPVLAPRLK--HLDDVRGHSIMIHTGGDNHSDHPA-----------------PLGGGGPRMACGVIK--
General information:
TITO was launched using:
RESULT:
Template:
2AQP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -72573 for 1129 contacts (-64.3/contact) +
2D Compatibility (PS) -16156 + (NN) -11813 + (LL) 2156
1D Compatibility (HY) -3600 + (ID) 2300
Total energy: -104286.0 ( -92.37 by residue)
QMean score : 0.417
(partial model without unconserved sides chains):
PDB file :
Tito_2AQP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AQP-query.scw
PDB file :
Tito_Scwrl_2AQP.pdb
: