Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFKKLFRQDENILNSELAEDLPI-PRHVAIIMDGNGRWAKKRFLPRIAGHKEGMDVVKRVTRYANAIGIDVLTLYAFSTENWKRPTDEVDFLMKLPVEFFDSFVPELIEENVRVNVMGYRENLPDHTMRAVEKAIADTAHCTGLTLNFALNYGGRSEIITAAKEAMKELELEGKSADDLTEEKLNDHLMSSGLGDPDLLIRTSGELRLSNFMLWQLAYSEFYFTDTHWPDFSKEDFLQAIIEYQNRSRRFGGL
2E9A Chain:B ((17-242))
-----------------------GCRHVAIIMDGNGRWAKKQGKIRAFGHKAGAKSVRRAVSFAANNGIEALTLYAFS------------ALMELFVWALDSEVKSLHRHNVRLRIIGDTSRFNSRLQERIRKSEALTAGNTGLTLNIAANYGGRWDIVQGVRQLAEKVQQGNLQPDQIDEEMLNQHVCMHELAPVDLVIRTGGEHRISNFLLWQIAYAELYFTDVLWPDFDEQDFEGALNAFANRERR----
General information:
TITO was launched using:
RESULT:
Template:
2E9A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -104145 for 1616 contacts (-64.4/contact) +
2D Compatibility (PS) -23473 + (NN) -10230 + (LL) 2324
1D Compatibility (HY) -13200 + (ID) 5050
Total energy: -153774.0 ( -95.16 by residue)
QMean score : 0.555
(partial model without unconserved sides chains):
PDB file :
Tito_2E9A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2E9A-query.scw
PDB file :
Tito_Scwrl_2E9A.pdb
: