Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKLMVVLSLIAAAWAEEQNKLVHGGPCDKTSHPYQAALYT--SGHLLCGGVLIHPLWVLTAAHCKKPNLQVFLGKHNLRQRESSQEQSSVVRAVIHPDY-DAASHDQDIMLLRLARPAKLSELIQPLPLERDCSANTTSCHILGWGKTADGDFPDTIQCAYIHLVSREECEHAYPG-QITQNMLCAGDEKYGKDSCQGDSGGPLVCGDHLRGLVSWGNIPCGSKEKPGVYTNVCRYTNWIQKTIQAK
3S9C Chain:A ((1-227))
---------------------VVGGDECNINEHPFLVALYTSASSTIHCAGALINREWVLTAAHCDRRNIRIKLGMHSKNIRNEDEQIRVPRGKYFCLNTKFPNGLDKDIMLIRLRRPVTYSTHIAPVSLPSRSRGVGSRCRIMGWGKISTTTYPDVPHCTNIFIVKHKWCEPLYPWVPADSRTLCAGILKGGRDTCHGDSGGPLICNGEMHGIVAGGSEPCGQHLKPAVYTKVFDYNNWIQSIIAGN
General information:
TITO was launched using:
RESULT:
Template:
3S9C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -141587 for 1901 contacts (-74.5/contact) +
2D Compatibility (PS) -24003 + (NN) -13124 + (LL) 2676
1D Compatibility (HY) -16000 + (ID) 4450
Total energy: -196488.0 ( -103.36 by residue)
QMean score : 0.703
(partial model without unconserved sides chains):
PDB file :
Tito_3S9C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3S9C-query.scw
PDB file :
Tito_Scwrl_3S9C.pdb
: