Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLAKGKEMGKLEGKIALIAGASGGMGSAVAKRFVREGAYVILISRSIDNLKQLYDEIEKLDEFKEGSVKLIQLDLLDF--ENVKILANMIESLKLSESGALDILVACTGILGKLNLVHDCELEELQNVMNTNFTANWYLLKNLDPVLKKSNSGRVIFMTSEVTLSPSSYPYWVPYAASKAALEIMVKIYASETKHTKLCVNAVYSEGPVDSEMYKQAFPGKDISELILPNKLTDKFVELASEDCSISGQVLPLSKSLE
3F1K Chain:A ((10-231))
-----------LNDRIILVTGASDGIGREAAMTYARYGATVILLGRNEEKLRQVASHI---NEETGRQPQWFILDLLTCTSENCQQLAQRI----AVNYPRLDGVLHNAGLLGDVCPMSEQNPQVWQDVMQVNVNATFMLTQALLPLLLKSDAGSLVFTSSSVGRQGRA--NWGAYAASKFATEGMMQVLADEYQQ-RLRVNCI-NPGGTRTAMRASAFPTEDPQKLKTPADIMPLYLWLMGDDSRRKTGMTFDAQPGR
General information:
TITO was launched using:
RESULT:
Template:
3F1K.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -168226 for 1787 contacts (-94.1/contact) +
2D Compatibility (PS) -24034 + (NN) -13204 + (LL) 1368
1D Compatibility (HY) -12400 + (ID) 3650
Total energy: -220146.0 ( -123.19 by residue)
QMean score : 0.569
(partial model without unconserved sides chains):
PDB file :
Tito_3F1K.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3F1K-query.scw
PDB file :
Tito_Scwrl_3F1K.pdb
: