Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTEKSGSPKWQLFKNILTYTIICLGGIIMLMPFVWMVSTAFKTGAANMVLPPQFIPKEPTTANFTQVFEMFPMLRFLVNSVIVAVVTTLGQMLFCSMAAYAFARIPFWGRDKLFLLYLATMMVPAQVTMIPQFILMKQFG------WLDSYAGLIVPALFSV-FGTFLLRQAFMGIPKELEEAAFMDGANHFTIFRKVILPLAKPTFATLGILTFMQSWNSYLWPLIVTSSQEMATLPLGLSLLQGRYGTNY--GLMMAGVLISVIPILAVYLFAQKYFIQGMAMSGMKE
3PUZ Chain:G ((79-283))
-----------------------------------------------------------------------FPVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYLGGIALHVWTIKGYFETIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEV--PVASLLLRDVNSYTLAVGMQQYLNPQNYLWGDFAAAAVMSALPITIVFLLAQR-------------
General information:
TITO was launched using:
RESULT:
Template:
3PUZ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -142609 for 1404 contacts (-101.6/contact) +
2D Compatibility (PS) -20592 + (NN) -7178 + (LL) 7012
1D Compatibility (HY) -18400 + (ID) 3200
Total energy: -184967.0 ( -131.74 by residue)
QMean score : 0.256
(partial model without unconserved sides chains):
PDB file :
Tito_3PUZ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUZ-query.scw
PDB file :
Tito_Scwrl_3PUZ.pdb
: