Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLEN------PPNHINNIESLENEISHRLDTHDLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
2E9A Chain:B ((19-242))
-----RHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFS------------ALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQID-----EEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRERR------
General information:
TITO was launched using:
RESULT:
Template:
2E9A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -106568 for 1557 contacts (-68.4/contact) +
2D Compatibility (PS) -22004 + (NN) -9661 + (LL) 1580
1D Compatibility (HY) -13600 + (ID) 4500
Total energy: -154753.0 ( -99.39 by residue)
QMean score : 0.515
(partial model without unconserved sides chains):
PDB file :
Tito_2E9A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2E9A-query.scw
PDB file :
Tito_Scwrl_2E9A.pdb
: