Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTEKSGSPKWQLFKNILTYTIICLGGIIMLMPFVWMVSTAFKTGAANMVLPPQFIPKEPTTANFTQVFEMFPMLRFLVNSVIVAVVTTLGQMLFCSMAAYAFARIPFWGRDKLFLLYLATMMVPAQVTMIPQFILMKQFG------WLDSYAGLIVPALFSV-FGTFLLRQAFMGIPKELEEAAFMDGANHFTIFRKVILPLAKPTFATLGILTFMQSWNSYLWPLIVTSSQEMATLPLGLSLLQGRYGTNY--GLMMAGVLISVIPILAVYLFAQKYFIQGMAMSGMKE
2R6G Chain:G ((79-295))
-----------------------------------------------------------------------FPVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYLGGIALHVWTIKGYFETIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEV--PVASLLLRDVNSYTLAVGMQQYLNPQNYLWGDFAAAAVMSALPITIVFLLAQRWLVNGLTAGGVK-
General information:
TITO was launched using:
RESULT:
Template:
2R6G.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162688 for 1502 contacts (-108.3/contact) +
2D Compatibility (PS) -21548 + (NN) -5170 + (LL) 6004
1D Compatibility (HY) -20000 + (ID) 3350
Total energy: -206752.0 ( -137.65 by residue)
QMean score : 0.300
(partial model without unconserved sides chains):
PDB file :
Tito_2R6G.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2R6G-query.scw
PDB file :
Tito_Scwrl_2R6G.pdb
: