Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKVRLYIARHGKTMFNTIGRAQGWSDTPLTTFGELGIKELGLGLKASNISFKEAFSSDSGRTLQTMEIILREVQQENIPYTRDKRIREWCFGSLDGGYDGDLFNGVLPRVSNGDMSHLTHEEIANLICQVDTAGWAEP----------WAILSNRILSGFTAIAKKIEDIGGGNAIVVSHGMTIATFLWL-----IDH--STPRSLGIDNGSVSVVDFEDGTFSIQSIGDMSYREKGREILEKTLQ
1H2E Chain:A ((4-207))
-----LYLTRHGETKWNVERRMQGWQDSPLTEKGRQDAMRLGKRLEA--VELAAIYTSTSGRALETAEIVR---GGRLIPIYQDERLREIHLGDWEGK---------------------THDEIRQMDPIAFDHFWQAPHLYAPQRGERFCDVQQRALEAVQSIVDRHE---GETVLIVTHGVVLKTLMAAFKDTPLDHLWSPPYMYGT---SVTIIEVDGGTFHVAVEGDVSHIEEVKEV------
General information:
TITO was launched using:
RESULT:
Template:
1H2E.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63819 for 1476 contacts (-43.2/contact) +
2D Compatibility (PS) -19711 + (NN) -7326 + (LL) 1532
1D Compatibility (HY) -10000 + (ID) 3300
Total energy: -102624.0 ( -69.53 by residue)
QMean score : 0.421
(partial model without unconserved sides chains):
PDB file :
Tito_1H2E.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1H2E-query.scw
PDB file :
Tito_Scwrl_1H2E.pdb
: