Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTKEDIKKQVRRAFDFRMAIRVYNNNDIPKEDMEYILDTAWLSPSSVGLEGWRFLVLDRQTIAKFRDKLKEVAWGAQYQLDTASHFVLLLAEKGAYYNADSMINSLVRRGLGDPAALESRIPLYKSFQENDM-KIDSERSLWDWTAKQTYIALGNMMTAAAMIGVDSCPIEGFDYEKVNNILSKEGLIDDKKEAISCMVSFGYRLREPKHSRARKERQEVITWVE
2HAY Chain:A ((8-224))
-----IHHQIQQALHFRTAVRVYKEEKISDEDLALILDAAWLSPSSIGLEGWRFVVLDNKPI---KEEIKPFAWGAQYQLETASHFILLIAEKHARYDSPAIKNSLLRRGIKEGDGLNSRLKLYESFQKEDMDMADNPRALFDWTAKQTYIALGNMMMTAALLGIDTCPIEGFHYDKVNHILAKHNVIDLEKEGIASMLSLGYRLRDPKHAQVRKPKEEVMSVVK
General information:
TITO was launched using:
RESULT:
Template:
2HAY.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -121080 for 1588 contacts (-76.2/contact) +
2D Compatibility (PS) -22941 + (NN) -4438 + (LL) 692
1D Compatibility (HY) -27200 + (ID) 6250
Total energy: -181217.0 ( -114.12 by residue)
QMean score : 0.547
(partial model without unconserved sides chains):
PDB file :
Tito_2HAY.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HAY-query.scw
PDB file :
Tito_Scwrl_2HAY.pdb
: