Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTRSARI--VVVSSRAAAGVYTDDCGPIIAGWLEQHGFS--SVQPQVVADGNPVGEA--LHDAVNAGVDVIITSGGTGISPTDTTPEHTVAVLDYVIPGLADAIRRSGLPKVPTSVLSRGVCGVAGRTLIINLPGSPGGVRDGLGVLADVLDHALEQIAGGDHPR
3MCI Chain:A ((2-162))
-SEKKAVIGVVTISDRASKGIYEDISGKAIIDYLKDVIITPFEVEYRVIPDERDLIEKTLIELADEKGCSLILTTGGTGPAPRDVTPEATEAVCEKMLPGFGELMRQVSLKQVPTAILSRQTAGIRGSCLIVNLPGKPQSIKVCLDAVMPAIPYCIDLIGGA----
General information:
TITO was launched using:
RESULT:
Template:
3MCI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -90285 for 1234 contacts (-73.2/contact) +
2D Compatibility (PS) -16291 + (NN) -182 + (LL) 136
1D Compatibility (HY) -11200 + (ID) 2750
Total energy: -120572.0 ( -97.71 by residue)
QMean score : 0.420
(partial model without unconserved sides chains):
PDB file :
Tito_3MCI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MCI-query.scw
PDB file :
Tito_Scwrl_3MCI.pdb
: