Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLEN----PPNHINNIESLENEISHRLDTHDLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
4H2O Chain:B ((19-239))
-----RHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSS----------------FVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGQPDQID-----EEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANR---------
General information:
TITO was launched using:
RESULT:
Template:
4H2O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -94534 for 1521 contacts (-62.2/contact) +
2D Compatibility (PS) -20891 + (NN) -6024 + (LL) 2672
1D Compatibility (HY) -13200 + (ID) 4350
Total energy: -136327.0 ( -89.63 by residue)
QMean score : 0.432
(partial model without unconserved sides chains):
PDB file :
Tito_4H2O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4H2O-query.scw
PDB file :
Tito_Scwrl_4H2O.pdb
: