Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLEN------PPNHINNIESLENEISHRLDTHDLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
3WYJ Chain:A ((19-240))
-----RHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSS-----PAQEVSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQID-----EEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE--------
General information:
TITO was launched using:
RESULT:
Template:
3WYJ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105983 for 1589 contacts (-66.7/contact) +
2D Compatibility (PS) -22495 + (NN) -9235 + (LL) 1576
1D Compatibility (HY) -14000 + (ID) 4600
Total energy: -154737.0 ( -97.38 by residue)
QMean score : 0.508
(partial model without unconserved sides chains):
PDB file :
Tito_3WYJ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WYJ-query.scw
PDB file :
Tito_Scwrl_3WYJ.pdb
: