Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFIFKRKKQVEMPLEKIPAH----IGIIMDGNGRWAKKRLKPRVMGHKAGMDALQEVTIAASGLGVKVLTVYAFSTENWSRPDDEVKFIMNLPVEFFDKYVPELDKNNVRVQVIGDTHKLPKATYDAMQRACLRTKHNSGLVLNFALNYGGRSEITNAIKEIAQDVLEAKLNPDDITEDLVANHLMTNSLPYLYRDPDLIIRTSGELRLSNFLPWQSAYSEFYFTPVLWPDFKKDELHKAIVDYNQRHRRFGSV
3SH0 Chain:B ((13-240))
----------------LPAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSS------AQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPV----DLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE------
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) -114801 for 1643 contacts (-69.9/contact) +
2D Compatibility (PS) -23839 + (NN) -13327 + (LL) 2208
1D Compatibility (HY) -16800 + (ID) 4750
Total energy: -171309.0 ( -104.27 by residue)
QMean score : 0.583
(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
: