Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLAKGKEMGKLEGKIALIAGASGGMGSAVAKRFVREGAYVILISRSIDNLKQLYDEIEKLDEFKEGSVKLIQLDLLDF--ENVKILANMIESLKLSESGALDILVACTGILGKLNLVHDCELEELQNVMNTNFTANWYLLKNLDPVLKKSNSGRVIFMTSEVTLSPSSYPYWVPYAASKAALEIMVKIYASETKHTKLCVNAVYSEGPVDSEMYKQAFPGKDISELILPNKLTDKFVELASEDCSISGQVLPLSKSLE
3E9Q Chain:A ((31-252))
-----------LNDRIILVTGASDGIGREAAMTYARYGATVILLGRNEEKLRQVASHI---NEETGRQPQWFILDLLTCTSENCQQLAQRI----VVNYPRLDGVLHNAGLLGDVCPMSEQNPQVWQDVMQINVNATFMLTQALLPLLLKSDAGSLVFTSSSVGRQGRA--NWGAYAASKFATEGMMQVLADEYQQ-RLRVNCI-NPGGTRTAMRASAFPTEDPQKLKTPADIMPLYLWLMGDDSRRKTGMTFDAQPGR
General information:
TITO was launched using:
RESULT:
Template:
3E9Q.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -160853 for 1771 contacts (-90.8/contact) +
2D Compatibility (PS) -23754 + (NN) -11135 + (LL) 1368
1D Compatibility (HY) -13200 + (ID) 3650
Total energy: -211224.0 ( -119.27 by residue)
QMean score : 0.559
(partial model without unconserved sides chains):
PDB file :
Tito_3E9Q.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3E9Q-query.scw
PDB file :
Tito_Scwrl_3E9Q.pdb
: