Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIKIQQLQHHF--GSHKV--IHNFNLDISKGEIVTFIGKSGCGKSTLLNVIGGFIHPSSGRVIIDNEIKQQPSPDCL--------MLFQHHNLLPWKTINDNIRIGFQ--QKISDE---EINAQLKLVDLEDRGKHFPEQLSGGMKQRVALCRAHVHKPNVILMDEPLGALDAFTRYKLQDQLVQLKHKTQSTIILVTHDIDEAIYLSDRIVLLGEGCNIISQYEITA--SHPRSRNDSHLLKIRNEIMETFALNHHQVEPEYYL
3TUI Chain:G ((24-257))
MIKLSNITKVFHQGTRTIQALNNVSLHVPAGQIYGVIGASGAGKSTLIRCVNLLERPTEGSVLVDGQELTTLSESELTKARRQIGMIFQHFNLLSSRTVFGNVALPLELDNTPKDEVKRRVTELLSLVGLGDKHDSYPSNLSGGQKQRVAIARALASNPKVLLCDQATSALDPATTRSILELLKDINRRLGLTILLITHEMDVVKRICDCVAVISNG-ELIEQDTVSEVFSHPKT------------------------------
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) -131753 for 1663 contacts (-79.2/contact) +
2D Compatibility (PS) -23506 + (NN) -13137 + (LL) 2528
1D Compatibility (HY) -17600 + (ID) 3700
Total energy: -187168.0 ( -112.55 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
: