Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKGSLAIVLGSLLASGTFYTALADGMPMKQQHNNMGESVELHFHYPIKGKQEPKNNHLVVLIDPKIEANKVIPENYQKEFEKSLFLQLSNFLERKGYSVSQFKDVSEIPQDIKEKALLVLRMDGNVAILEDIVEESDALSEEKVIDMSSGYLNLNFVEPKSEDIIHSFGIDVSKIKAVIERVELRRTNSGGFVPKTFVHRIKETDHDRAIKKIMNQAYHKVMAHITKELSKKHMERYEKVSSEMKKRK
3BGH Chain:B ((21-221))
-----------------------------------------LHFHYPIKGKQEPKNSHLVVLIEPKIEINKVIPESYQKEFEKSLFLQLSSFLERKGYSVSQFKDASEIPQDIKEKALLVLRMDGNVAILEDIVEESDALSEEKVIDMSSGYLNLNFVEPKSEDIIHSFGIDVSKIKAVIERVE---------------HRIKETDHDQAIRKIMNQAYHKVMVHITKELSKKHMEHYEKVS-------
General information:
TITO was launched using:
RESULT:
Template:
3BGH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96853 for 1329 contacts (-72.9/contact) +
2D Compatibility (PS) -19414 + (NN) -1900 + (LL) 3716
1D Compatibility (HY) -25600 + (ID) 8800
Total energy: -148851.0 ( -112.00 by residue)
QMean score : 0.446
(partial model without unconserved sides chains):
PDB file :
Tito_3BGH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3BGH-query.scw
PDB file :
Tito_Scwrl_3BGH.pdb
: