Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRYTILTKGDSKSNALKHKMMNYMKDFRMIEDSENPEIVISVGGDGTLLQAFHQYSHMLSKVAFVGVHTGHLGFYADWLPHEVEKLIIEINNSEFQVIEYPLLEIIMRYNDNGYETRYLALNEATMKTENGSTLVVDVNLRGKHFERFRGDGLCVSTPSGSTAYNKALGGALIHPSLEAMQITEIASINNRVFRTVGSPLVLPKHHTCLISPVNHDTIRMTIDHVSIKHKNVNSIQYRVANEKVRFARFRPFPFWKRVHDSFISSDEER
2I1W Chain:A ((1-263))
MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKY----KEATYLALNESTVKS-S--PFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIE-----
General information:
TITO was launched using:
RESULT:
Template:
2I1W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -181640 for 2044 contacts (-88.9/contact) +
2D Compatibility (PS) -27834 + (NN) -9859 + (LL) -300
1D Compatibility (HY) -29600 + (ID) 7450
Total energy: -256683.0 ( -125.58 by residue)
QMean score : 0.571
(partial model without unconserved sides chains):
PDB file :
Tito_2I1W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I1W-query.scw
PDB file :
Tito_Scwrl_2I1W.pdb
: