Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLEN------PPNHINNIESLENEISHRLDTHDLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
3TH8 Chain:B ((19-239))
-----RHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAF---------------MELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQID-----EEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANR---------
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) -94621 for 1516 contacts (-62.4/contact) +
2D Compatibility (PS) -20940 + (NN) -4349 + (LL) 2216
1D Compatibility (HY) -14000 + (ID) 4350
Total energy: -136044.0 ( -89.74 by residue)
QMean score : 0.435
(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
: