Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKTRKDVCVPRHVAIIMDGNNRWAKKRLLPGVAGHKAGVDAVRAVIEVCAEAGVEVLTLFAFSSENWQRPADEVSALMELFLVALRREVRKLDENGIRLRIIGDRTRFHPELQAAMREAEAATAGNTRFLLQVAANYGGQWDIVQAAQRLAREVQGGHLAADDISAELLQGCLVTGDQPLPDLCIRTGGEHRISNFLLWQLAYAELYFSDLFWPDFKHAAMRAALADFSKRQRRFGKTSEQVEAEARPSC
4H2O Chain:B ((19-239))
-----------RHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSS----------------FVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQG--QPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANR-------------------
General information:
TITO was launched using:
RESULT:
Template:
4H2O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132502 for 1541 contacts (-86.0/contact) +
2D Compatibility (PS) -22276 + (NN) -11025 + (LL) 3708
1D Compatibility (HY) -20000 + (ID) 5600
Total energy: -187695.0 ( -121.80 by residue)
QMean score : 0.431
(partial model without unconserved sides chains):
PDB file :
Tito_4H2O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4H2O-query.scw
PDB file :
Tito_Scwrl_4H2O.pdb
: