Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSHHWGYSKSNGPENWHKEFPIANGDRQSPVDIDTGTAQHDPSLQPLLICYDKVASKSIVNNGHSFNVEFDDSQDFAVLKEGPLSGSYRLIQFHFHWGSSDGQGSEHTVNKKKYAAELHLVHWN-TKYGDFGKAVQHPDGLAVLGIFLKIGPASQGLQKITEALHSIKTKGKRAAFANFDPCSLLPGNLDYWTYPGSLTTPPLLECVTWIVLKEPITVSSEQMSHFRKLNFNSEGEAEELMVDNWRPAQPLKNRKIKASFK
4KNN Chain:B ((6-263))
---SWGYREHNGPIHWKEFFPIADGDQQSPIEIKTKEVKYDSSLRPLSIKYDPSSAKIISNSGHSFNVDFDDTENKSVLRGGPLTGSYRLRQVHLHWGSADDHGSEHIVDGVSYAAELHVVHWNSDKYPSFVEAAHEPDGLAVLGVFLQIGEPNSQLQKITDTLDSIKEKGKQTRFTNFDLLSLLPPSWDYWTYPGSLTVPPLLESVTWIVLKQPINISSQQLAKFRSLLCTAEGEAAAFLVSNHRPPQPLKGRKVRASFH
General information:
TITO was launched using:
RESULT:
Template:
4KNN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -105068 for 2120 contacts (-49.6/contact) +
2D Compatibility (PS) -27561 + (NN) -15172 + (LL) 224
1D Compatibility (HY) -24800 + (ID) 7650
Total energy: -180027.0 ( -84.92 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_4KNN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KNN-query.scw
PDB file :
Tito_Scwrl_4KNN.pdb
: