Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTEKSGSPKWQLFKNILTYTIICLGGIIMLMPFVWMVSTAFKTGAANMVLPPQFIPKEPTTANFTQVFEMFPMLRFLVNSVIVAVVTTLGQMLFCSMAAYAFARIPFWGRDKLFLLYLATMMVPAQVTMIPQFILMKQFG------WLDSYAGLIVPALFSV-FGTFLLRQAFMGIPKELEEAAFMDGANHFTIFRKVILPLAKPTFATLGILTFMQSWNSYLWPLIVTSSQEMATLPLGLSLLQGRYGTNY--GLMMAGVLISVIPILAVYLFAQKYFIQGMAMSGMKE
3PUW Chain:G ((79-295))
-----------------------------------------------------------------------FPVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYLGGIALHVWTIKGYFETIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEV--PVASLLLRDVNSYTLAVGMQQYLNPQNYLWGDFAAAAVMSALPITIVFLLAQRWLVNGLTAGGVK-
General information:
TITO was launched using:
RESULT:
Template:
3PUW.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -161530 for 1482 contacts (-109.0/contact) +
2D Compatibility (PS) -21621 + (NN) -6166 + (LL) 6004
1D Compatibility (HY) -20000 + (ID) 3350
Total energy: -206663.0 ( -139.45 by residue)
QMean score : 0.322
(partial model without unconserved sides chains):
PDB file :
Tito_3PUW.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUW-query.scw
PDB file :
Tito_Scwrl_3PUW.pdb
: