Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLEN------PPNHINNIESLENEISHRLDTHDLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
5CQB Chain:A ((18-238))
-----RHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAF------------------FVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQID-----EEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANR---------
General information:
TITO was launched using:
RESULT:
Template:
5CQB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104685 for 1517 contacts (-69.0/contact) +
2D Compatibility (PS) -20763 + (NN) -5758 + (LL) 2696
1D Compatibility (HY) -13200 + (ID) 4300
Total energy: -146010.0 ( -96.25 by residue)
QMean score : 0.435
(partial model without unconserved sides chains):
PDB file :
Tito_5CQB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-5CQB-query.scw
PDB file :
Tito_Scwrl_5CQB.pdb
: