Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVDHSIKGKTVLITGGAKNLGGLIARDLAAHGAKAITIHYNSAASKADADATVAALQAAGAKAVALQGDLTSAAAMEKLFADAIAAVGKPDIAINTVGKVLKKPITEISETEYDEMSAVNSKSAFFFLREAGKHVNDNGKICTLVTSLLGAYT-PYYAAYAGTKAPVEHFTRAASKEFGARGISVTAVGPGPMDTPFF------YPAEGAD--AVDYLKNAAALSPFSKTGL-TDIDDVVPFIRHLVSEGWWITGQTILINGGFSTK
3IS3 Chain:A ((16-268))
-----LDGKVALVTGSGRGIGAAVAVHLGRLGAKVVV---NYANSTKDAEKVVSEIKALGSDAIAIKADIRQVPEIVKLFDQAVAHFGHLDIAVSNSGVVSFGHLKDVTEEEFDRVFSLNTRGQFFVAREAYRHLTEGGRIVLTSSNTSKDFSVPKHSLYSGSKGAVDSFVRIFSKDCGDKKITVNAVAPGGTVTDMFHEVSHHYIPNGTSYTAEQRQQMAAHASPLHRNGWPQDVANVVGFL--VSKEGEWVNGKVLTLDGG----
General information:
TITO was launched using:
RESULT:
Template:
3IS3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -111875 for 2090 contacts (-53.5/contact) +
2D Compatibility (PS) -27030 + (NN) -13564 + (LL) 1044
1D Compatibility (HY) -14000 + (ID) 4050
Total energy: -169475.0 ( -81.09 by residue)
QMean score : 0.521
(partial model without unconserved sides chains):
PDB file :
Tito_3IS3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IS3-query.scw
PDB file :
Tito_Scwrl_3IS3.pdb
: