Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTETLLSIKDLSITFTQYGRFLKPFQSTPIQALNLEIKKGELLAIIGASGSGKSLLAHAIMDILPKNASVTGDMIYRGQSLNSKRIKQL--RGKDITLIPQSVNYLDPSMKVKHQVRLGISE------NSKATQEGLFQQFGLKESDGDLYPFQLSGGMLRRVLFTTCISDKVSLIIADEPTPGLHPDALQMVLDQLRSFA-DKGISVIFITHDIVAASQIADRITIFKEGKAIETAPASFFSGNGEQLQTEFARSLLRSLPQQEFLKGVTHDLRG
3TUI Chain:C ((23-253))
---HMIKLSNITKVFHQGT-----RTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPT---EGSVLVDGQELTTLSESELTKARRQIGMIFQHFN-LLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLG-DKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQERLQAEPF
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) -142322 for 1829 contacts (-77.8/contact) +
2D Compatibility (PS) -24481 + (NN) -15275 + (LL) 1200
1D Compatibility (HY) -16000 + (ID) 2800
Total energy: -199678.0 ( -109.17 by residue)
QMean score : 0.501
(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
: