Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFKKLINKKNTINNYNEELDSSNIPEHIAIIMDGNGRWAKKRKMPRIKGHYEGMQTIKKITRIASDIGVKYLTLYAFSTENWSRPESEVNYIMNLPVNFLKTFLPELIEKNVKVETIGFTDKLPKSTIEAINNAKEKTANNTGLKLIFAINYGGRAELVHSIKNMFDELHQQGLNSDIIDETYINNHLMTKDYPDPELLIRTSGEQRISNFLIWQVSYSEFIFNQKLWPDFDEDELIKCIKIYQSRQRRFGGLSEE
3SGT Chain:B ((20-240))
--------------------------HVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSSEN---PAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE---------
General information:
TITO was launched using:
RESULT:
Template:
3SGT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -103693 for 1637 contacts (-63.3/contact) +
2D Compatibility (PS) -23136 + (NN) -7205 + (LL) 1836
1D Compatibility (HY) -16000 + (ID) 4550
Total energy: -152748.0 ( -93.31 by residue)
QMean score : 0.587
(partial model without unconserved sides chains):
PDB file :
Tito_3SGT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SGT-query.scw
PDB file :
Tito_Scwrl_3SGT.pdb
: