Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKSWLTASLLALTVASPFAAADIQGHKAGDFIIRGGFATVDPDDSSSDIKLDGAKQRGTKATVDSDTQLGLTFTYMFADKWGVELVAATPFNHQVDVKGLGPGLDGKLADIKQLPPTLLLQYYPMGGTNSAFQPYGGLGVNYTTFFDEDLASNRKAQGFSSMKLQDSWGLAGELGFDYMLNEHALFNMAVWYMDIDTKASINGPSALGVNKTKVDVDVDPWVYMIGFGYKF-
2B2A Chain:A ((13-191))
----MLTRKEDLLTVLKQISALKYVSN-LYEFLLATEKIV-------------------QTSELDTQFQEFLTTT-----------IIASEQNLVENYKQM---------TIKQVIDDSIIL---LGNKQNYVQQIGTTTIGFYVEYRQTL---------YSSNFRNLLNIFGEEDFKYFLIDF------LVFTKVEQNGYLQVAGVCLNQYFSVQVKQKKW-------YKNN
General information:
TITO was launched using:
RESULT:
Template:
2B2A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48146 for 1144 contacts (-42.1/contact) +
2D Compatibility (PS) -17053 + (NN) -4663 + (LL) 3048
1D Compatibility (HY) -10400 + (ID) 1650
Total energy: -78864.0 ( -68.94 by residue)
QMean score : 0.188
(partial model without unconserved sides chains):
PDB file :
Tito_2B2A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2B2A-query.scw
PDB file :
Tito_Scwrl_2B2A.pdb
: