Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIISKHLSVSYDN----NLVLEDINLRLEGSGIIGILGPNGAGKSTLMKALLGLVDST-GESGIGGD-LL--------PLMGRVAYVEQKTNIDYQFPITVGECVSLGLYKERGLFKRLSKTDWEKVSRVIDQVGLRGFENRPINALSGGQFQRMLMARCLVQEADYIFLDEPFVGIDSISEQIIVNLLKKLSK-AGKLILVVHHDLSKVDHYFDQVIIL-NRHLIACGPIDQAFTRENLSAAYGDAILLGQGD
3TUI Chain:C ((24-254))
MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNL--LSSRTVFGNVALPLELDNTP----KDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLD
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) -197291 for 1777 contacts (-111.0/contact) +
2D Compatibility (PS) -22917 + (NN) -8326 + (LL) 488
1D Compatibility (HY) -12800 + (ID) 2850
Total energy: -243696.0 ( -137.14 by residue)
QMean score : 0.471
(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
: