Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFIFKRKKQVEMPLEKIPAH----IGIIMDGNGRWAKKRLKPRVMGHKAGMDALQEVTIAASGLGVKVLTVYAFSTENWSRPDDEVKFIMNLPVEFFDKYVPELDKNNVRVQVIGDTHKLPKATYDAMQRACLRTKHNSGLVLNFALNYGGRSEITNAIKEIAQDVLEAKLNPDDITEDLVANHLMTNSLPYLYRDPDLIIRTSGELRLSNFLPWQSAYSEFYFTPVLWPDFKKDELHKAIVDYNQRHRRFGSV
3TH8 Chain:B ((14-239))
-----------------PAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAF---------------MELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPV----DLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANR-------
General information:
TITO was launched using:
RESULT:
Template:
3TH8.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104022 for 1557 contacts (-66.8/contact) +
2D Compatibility (PS) -22602 + (NN) -12135 + (LL) 3024
1D Compatibility (HY) -16000 + (ID) 4600
Total energy: -156335.0 ( -100.41 by residue)
QMean score : 0.586
(partial model without unconserved sides chains):
PDB file :
Tito_3TH8.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TH8-query.scw
PDB file :
Tito_Scwrl_3TH8.pdb
: