Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLLELVNLHKTFEKGTVNENHVLRGLDLTIEDGDFISVIGGNGAGKSTLLNCIAGLIPIDQGAITLDNQSIT---KDSVEKRSKDISRVFQDPRMGTATNLTIEENMAIAHKRGNKRHIFRQSVTDDDRQLFKKSLSQLGLGLENRMKTDAAFLSGGQRQALTLAMATLVRPKLLLLDEHTAALDPKTSDMVMELTQKVIEEQRLTALMITHNMEHAIAYGNRLVMLYHGKIVVDVKGEAKRNLTVAELMELFHKNSGQQLIDDALVLG
3DHW Chain:C ((1-220))
--MIKLSNITKVFHQGT-RTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQ--HFNLLSSRTVFGNVALPLELDN-------TPKDEVKRRVTELLSLVGLG--DKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDEATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNGELIEQDTVSEVFSHPKTPLAQKFIQSTLHLDIPEDYQER
General information:
TITO was launched using:
RESULT:
Template:
3DHW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142524 for 1771 contacts (-80.5/contact) +
2D Compatibility (PS) -22824 + (NN) -2524 + (LL) 1200
1D Compatibility (HY) -15600 + (ID) 3450
Total energy: -185722.0 ( -104.87 by residue)
QMean score : 0.524
(partial model without unconserved sides chains):
PDB file :
Tito_3DHW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3DHW-query.scw
PDB file :
Tito_Scwrl_3DHW.pdb
: