Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFKKLFRQDENILNSELAEDLPI--PRHVAIIMDGNGRWAKKRFLPRIAGHKEGMDVVKRVTRYANAIGIDVLTLYAFSTENWKRPTDEVDFLMKLPVEFFDSFVPELIEENVRVNVMGYRENLPDHTMRAVEKAIADTAHCTGLTLNFALNYGGRSEIITAAKEAMKELELEGKSADDLTEEKLNDHLMSSGLGDPDLLIRTSGELRLSNFMLWQLAYSEFYFTDTHWPDFSKEDFLQAIIEYQNRSRRFGGL
4H2O Chain:B ((14-239))
---------------------PAHGCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFSS----------------FVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQG--QPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANR-------
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) -104990 for 1572 contacts (-66.8/contact) +
2D Compatibility (PS) -22454 + (NN) -9388 + (LL) 3028
1D Compatibility (HY) -12000 + (ID) 4850
Total energy: -150654.0 ( -95.84 by residue)
QMean score : 0.497
(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
: