Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLAKGKEMGKLEGKIALIAGASGGMGSAVAKRFVREGAYVILISRSIDNLKQLYDEIEKLDEFKEGSVKLIQLDLLDF--ENVKILANMIESLKLSESGALDILVACTGILGKLNLVHDCELEELQNVMNTNFTANWYLLKNLDPVLKKSNSGRVIFMTSEVTLSPSSYPYWVPYAASKAALEIMVKIYASETKHTKLCVNAVYSEGPVDSEMYKQAFPGKDISELILPNKLTDKFVELASEDCSISGQVLPLSKSLE
3F5S Chain:A ((8-229))
-----------LNDRIILVTGASDGIGREAAMTYARYGATVILLGRNEEKLRQVASHI---NEETGRQPQWFILDLLTCTSENCQQLAQRI----VVNYPRLDGVLHNAGLLGDVCPMSEQNPQVWQDVMQINVNATFMLTQALLPLLLKSDAGSLVFTSSSV--GRQGRANWGAYAASKFATEGMMQVLADEYQQ-RLRVNCI-NPGGTRT-----------PQKLKTPADIMPLYLWLMGDDSRRKTGMTFDAQ---
General information:
TITO was launched using:
RESULT:
Template:
3F5S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151150 for 1681 contacts (-89.9/contact) +
2D Compatibility (PS) -22642 + (NN) -12080 + (LL) 2416
1D Compatibility (HY) -12800 + (ID) 3400
Total energy: -199656.0 ( -118.77 by residue)
QMean score : 0.544
(partial model without unconserved sides chains):
PDB file :
Tito_3F5S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3F5S-query.scw
PDB file :
Tito_Scwrl_3F5S.pdb
: