Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MEKTRKDVCVPRHVAIIMDGNNRWAKKRLLPGVAGHKAGVDAVRAVIEVCAEAGVEVLTLFAFSSENWQRPADEVSALMELFLVALRREVRKLDENGIRLRIIGDRTRFHPELQAAMREAEAATAGNTRFLLQVAANYGGQWDIVQAAQRLAREVQGGHLAADDISAELLQGCLVTGDQPLPDLCIRTGGEHRISNFLLWQLAYAELYFSDLFWPDFKHAAMRAALADFSKRQRRFGKTSEQVEAEARPSC
3SH0 Chain:B ((19-240))
-----------RHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSS------AQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE------------------
General information:
TITO was launched using:
RESULT:
Template:
3SH0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142276 for 1637 contacts (-86.9/contact) +
2D Compatibility (PS) -24301 + (NN) -18712 + (LL) 2224
1D Compatibility (HY) -22000 + (ID) 6100
Total energy: -211165.0 ( -129.00 by residue)
QMean score : 0.533
(partial model without unconserved sides chains):
PDB file :
Tito_3SH0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SH0-query.scw
PDB file :
Tito_Scwrl_3SH0.pdb
: