Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLN---SGYHFCGGSLINEQWVVSAGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQY-DRKTLNNDIMLIKLSSRAVINARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPG-KITSNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGD-GCAQKNKPGVYTKVYNYVKWIKNTIAANS
3S9C Chain:A ((1-227))
-----------------------VVGGDECNINEHPFLVALYTSASSTIHCAGALINREWVLTAAHCDRRNIRIKLGMHSKNIRNEDEQIRVPRGKYFCLNTKFPNGLDKDIMLIRLRRPVTYSTHIAPVSLPSRSRGVGSRCRIMGWGKIS--TTTYPDVPHCTNIFIVKHKWCEPLYPWVPADSRTLCAGILKGGRDTCHGDSGGPLICNGEMHGIVAGGSEPCGQHLKPAVYTKVFDYNNWIQSIIAGN-
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) -114683 for 1884 contacts (-60.9/contact) +
2D Compatibility (PS) -23730 + (NN) -8598 + (LL) 1660
1D Compatibility (HY) -15600 + (ID) 4200
Total energy: -165151.0 ( -87.66 by residue)
QMean score : 0.659
(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
: