Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTVTIKTPDDIEKMRIAGRLAAEVLEMIGEHIKPGVTTEELDRICHDYIVNEQKAIPAPLNYKGFPKSICTSINHVVCHGIPNEKPLKEGDILNVDITVIKDGYHGDTSKMFLVGKTPEWADRLCQITQECMYKGISVVRPGAHLGDIGEIIQKHAEKNGFSVVREYCGHGIGKVFHEEPQVLHYGRAGTGIELKEGMIFTIEPMINQGRPETRLLGDGWTAITKDRKLSAQWEHTVLVTADGYEILTLRNDETFPRTSAA
4IKR Chain:A ((73-325))
--IKLLSSEDIEGMRLVCRLAREVLDVAAGMIKPGVTTEEIDHAVHLACI-ARNCYPSPLNYYNFPKSCCTSVNEVICHGIPDRRPLQEGDIVNVDITLYRNGYHGDLNETFFVGEVDDGARKLVQTTYECLMQAIDAVKPGVRYRELGNIIQKHAQANGFSVVRSYCGHGIHKLFHTAPNVPHYAKNKAVGVMKSGHVFTIEPMICEGGWQDETWPDGWTAVTRDGKRSAQFEHTLLVTDTGCEILTRRLDSARP-----
General information:
TITO was launched using:
RESULT:
Template:
4IKR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138410 for 2237 contacts (-61.9/contact) +
2D Compatibility (PS) -27860 + (NN) -12738 + (LL) 592
1D Compatibility (HY) -24000 + (ID) 6600
Total energy: -209016.0 ( -93.44 by residue)
QMean score : 0.514
(partial model without unconserved sides chains):
PDB file :
Tito_4IKR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4IKR-query.scw
PDB file :
Tito_Scwrl_4IKR.pdb
: