Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRYTILTKGDSKSNALKHKMMNYMKDFRMIEDSENPEIVISVGGDGTLLQAFHQYSHMLSKVAFVGVHTGHLGFYADWLPHEVEKLIIEINNSEFQVIEYPLLEIIMRYNDNGYETRYLALNEATMKTENGSTLVVDVNLRGKHFERFRGDGLCVSTPSGSTAYNKALGGALIHPSLEAMQITEIASINNRVFRTVGSPLVLPKHHTCLISPVNHDTIRMTIDHVSIKHKNVNSIQYRVANEKVRFARFRPFPFWKRVHDSFISSDEER
2I1W Chain:D ((1-263))
MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHT-HLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKYG---KEATYLALNESTVKS-SGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIE-----
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) -174921 for 2073 contacts (-84.4/contact) +
2D Compatibility (PS) -28479 + (NN) -11958 + (LL) -192
1D Compatibility (HY) -29600 + (ID) 7300
Total energy: -252450.0 ( -121.78 by residue)
QMean score : 0.551
(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
: