Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDSTLKHLAIIMDGNGRWAKLKNKARAYGHKKGVKTLKDITIWCANHKLECLTLYAFSTENWKRPKSEVDFLMKMLKKYLKDERSTYLDNNIRFRAIGDLEGFSKELRDTILRLENDTRYFKDFTQVLALNYGSKNELSRAFKSLLENPPNHINNIESL-ENEISHRLDTHDLPEVDLLLRTGGEMRLSNFLLWQSSYAELFFTPILWPDFTPKDLENIISDFYKRVRKFGELKC
3SGV Chain:B ((15-240))
-AHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAF-----------VSALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRE--------
General information:
TITO was launched using:
RESULT:
Template:
3SGV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108695 for 1654 contacts (-65.7/contact) +
2D Compatibility (PS) -22523 + (NN) -6740 + (LL) 1100
1D Compatibility (HY) -13600 + (ID) 4350
Total energy: -154808.0 ( -93.60 by residue)
QMean score : 0.406
(partial model without unconserved sides chains):
PDB file :
Tito_3SGV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3SGV-query.scw
PDB file :
Tito_Scwrl_3SGV.pdb
: