Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRYTILTKGDSKSNALKHKMMNYMKDFRMIEDSENPEIVISVGGDGTLLQAFHQYSHMLSKVAFVGVHTGHLGFYADWLPHEVEKLIIEINNSEFQVIEYPLLEIIMRYNDNGYETRYLALNEATMKTENGSTLVVDVNLRGKHFERFRGDGLCVSTPSGSTAYNKALGGALIHPSLEAMQITEIASINNRVFRTVGSPLVLPKHHTCLISPVNHDTIRMTIDHVSIKHKNVNSIQYRVANEKVRFARFRPFPFWKRVHDSFISSDEER
2I2F Chain:A ((1-264))
MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGNGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKY--GKKEATYLALNESTVKS-SGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIED----
General information:
TITO was launched using:
RESULT:
Template:
2I2F.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171921 for 2098 contacts (-81.9/contact) +
2D Compatibility (PS) -28665 + (NN) -13355 + (LL) 180
1D Compatibility (HY) -29600 + (ID) 7500
Total energy: -250861.0 ( -119.57 by residue)
QMean score : 0.537
(partial model without unconserved sides chains):
PDB file :
Tito_2I2F.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I2F-query.scw
PDB file :
Tito_Scwrl_2I2F.pdb
: