Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQIEFKNVSKVYPNGH---VGLKNINLNIEKGEFAVIVGLSGAGKSTLLRSVNRLHDITSGEIFIQGKSITKAHGKALLEMRRNIGMIFQHFNLVKRSSVLRNVLSGRVGYHPTWKMVLGLFPKED-KIKAMDALERVNILDKYNQRSDELSGGQQQRISIARALCQESEIILADEPVASLDPLTTKQVMDDLRKINQELGITILINLHFVDLAKEYGTRIIGLRDGEVVYDGPASEATDDVFSEIYGRTIKEDEKLGVN
3TUI Chain:G ((25-253))
---IKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNV---------ALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSE----VFS----------------
General information:
TITO was launched using:
RESULT:
Template:
3TUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -136832 for 1823 contacts (-75.1/contact) +
2D Compatibility (PS) -24829 + (NN) -10852 + (LL) 1396
1D Compatibility (HY) -17200 + (ID) 4350
Total energy: -192667.0 ( -105.69 by residue)
QMean score : 0.511
(partial model without unconserved sides chains):
PDB file :
Tito_3TUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TUI-query.scw
PDB file :
Tito_Scwrl_3TUI.pdb
: