Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVDHSIKGKTVLITGGAKNLGGLIARDLAAHGAKAITIHYNSAASKADADATVAALQAAGAKAVALQGDLTSAAAMEKLFADAIAAVGKPDIAINTVGKVLKKPITEISETEYDEMSAVNSKSAFFFLREAGKHVNDNGKICTLVTSLLGAYT-PYYAAYAGTKAPVEHFTRAASKEFGARGISVTAVGPGPMDTPFF------YPAEGAD--AVDYLKNAAALSPFSKTGL-TDIDDVVPFIRHLVSEGWWITGQTILINGGFSTK
3QWH Chain:A ((16-268))
-----LDGKVALVTGSGRGIGAAVAVHLGRLGAKVVV---NYANSTKDAEKVVSEIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSFGHLKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDFSVPKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVSHHYIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFL--VSKEGEWVNGKVLTLDGG----
General information:
TITO was launched using:
RESULT:
Template:
3QWH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -112096 for 2106 contacts (-53.2/contact) +
2D Compatibility (PS) -26836 + (NN) -11254 + (LL) 1044
1D Compatibility (HY) -14000 + (ID) 4050
Total energy: -167192.0 ( -79.39 by residue)
QMean score : 0.514
(partial model without unconserved sides chains):
PDB file :
Tito_3QWH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3QWH-query.scw
PDB file :
Tito_Scwrl_3QWH.pdb
: