Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQIEFKNVSKVYPNGHVGLKNINLNIEKGEFAVIVGLSGAGKSTLLRSVNRLHDITSGEIFIQGKSITKAHGKALLEMRRNIGMIFQHFNLVKRSSVLRNVLSGRVGYHPTWKMVLGLFPKED-KIKAMDALERVNILDKYNQRSDELSGGQQQRISIARALCQESEIILADEPVASLDPLTTKQVMDDLRKINQELGITILINLHFVDLAKEYGTRIIGLRDGEVVYDGPASEATDDVFSEIYGRTIKEDEKLGVN
4U02 Chain:D ((5-224))
---IRIRNLHKWFGPLHV-LKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKD--DRALREIRREVGMVFQQFNLFPHMTVLENVTLA--------PMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQG-GMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEE-----------------------
General information:
TITO was launched using:
RESULT:
Template:
4U02.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125764 for 1807 contacts (-69.6/contact) +
2D Compatibility (PS) -24036 + (NN) -9904 + (LL) 2116
1D Compatibility (HY) -20800 + (ID) 4700
Total energy: -183088.0 ( -101.32 by residue)
QMean score : 0.540
(partial model without unconserved sides chains):
PDB file :
Tito_4U02.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U02-query.scw
PDB file :
Tito_Scwrl_4U02.pdb
: