Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHHWGYSKSNGPENWHKEFPIANGDRQSPVDIDTGTAQHDPSLQPLLIC-Y--DKVASKSIVNNGHSFNVEFDDSQDFAVLKEGPLSGSYRLIQFHFHWGSSDGQGSEHTVNKKKYAAELHLVHWNTKYGDFGKAVQHPDGLAVLGIFLKIGP-ASQGLQKITEALHSIKTKGKRAAFANFDPCSLLPGNL-DYWTYPGSLTTPPLLECVTWIVLKEPITVSSEQMSHFRKLNFNSEGEAEELMVDNWRPAQPLKNRKIKASFK
3IAI Chain:A ((5-257))
--SHWRYG---GDPPWPRVSPACAGRFQSPVDIRPQLAAFSPALRPLELLGFQLPPLPELRLRNNGHSVQLTLPPG---LEMALGP-GREYRALQLHLHWGAAGRPGSEHTVEGHRFPAEIHVVHLSTAFARVDEALGRPGGLAVLAAFLEEGPEENSAYEQLLSRLEEIAEEGSETQVPGLDISALLPSDFSRYFQYEGSLTTPPCAQGVIWTVFNQTVMLSAKQLHTLSDTLWGPGD---SRLQLNFRATQPLNGRVIEASFP
General information:
TITO was launched using:
RESULT:
Template:
3IAI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -114658 for 1981 contacts (-57.9/contact) +
2D Compatibility (PS) -26738 + (NN) -14096 + (LL) 840
1D Compatibility (HY) -19200 + (ID) 4300
Total energy: -178152.0 ( -89.93 by residue)
QMean score : 0.496
(partial model without unconserved sides chains):
PDB file :
Tito_3IAI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3IAI-query.scw
PDB file :
Tito_Scwrl_3IAI.pdb
: