Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLAKGKEMGKLEGKIALIAGASGGMGSAVAKRFVREGAYVILISRSIDNLKQLYDEIEKLDEFKEGSVKLIQLDLL--DFENVKILANMIESLKLSESGALDILVACTGILGKLNLVHDCELEELQNVMNTNFTANWYLLKNLDPVLKKSNSGRVIFMTSEVTLSPSSYPYWVPYAASKAALEIMVKIYASETKHTKLCVNAVYSEGPVDSEMYKQAFPGKDISELILPNKLTDKFVELASEDCSISGQVLPLSKSLE
3IAH Chain:A ((13-235))
-----------LQNRIILVTGASDGIGREAALTYARYGATVILLGRNEEKLRRVAQHIADEQHVQP---QWFTLDLLTCTAEECRQVADRI----AAHYPRLDGVLHNAGLLGEIGPMSEQDPQIWQDVMQVNVNATFMLTQALLPLLLKSDAGSLVFTSSSVGRQGRA--NWGAYATSKFATEGMMQVLADEYQNRSLRVNCI-NPGGTRTSMRASAFPTEDPQKLKTPADIMPLYLWLMGDDSRRKTGMTFDAQPGR
General information:
TITO was launched using:
RESULT:
Template:
3IAH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141856 for 1794 contacts (-79.1/contact) +
2D Compatibility (PS) -23826 + (NN) -11236 + (LL) 964
1D Compatibility (HY) -12400 + (ID) 3400
Total energy: -191754.0 ( -106.89 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_3IAH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IAH-query.scw
PDB file :
Tito_Scwrl_3IAH.pdb
: