Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKTEKSGSPKWQLFKNILTYTIICLGGIIMLMPFVWMVSTAFKTGAANMVLPPQFIPKEPTTANFTQVFEMFPMLRFLVNSVIVAVVTTLGQMLFCSMAAYAFARIPFWGRDKLFLLYLATMMVPAQVTMIPQFILMKQFG------WLDSYAGLIVPALFSV-FGTFLLRQAFMGIPKELEEAAFMDGANHFTIFRKVILPLAKPTFATLGILTFMQSWNSYLWPLIVTSSQEMATLPLGLSLLQGRYGTNY--GLMMAGVLISVIPILAVYLFAQKYFIQGMAMSGMKE
3PUV Chain:G ((79-295))
-----------------------------------------------------------------------FPVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYLGGIALHVWTIKGYFETIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEV--PVASLLLRDVNSYTLAVGMQQYLNPQNYLWGDFAAAAVMSALPITIVFLLAQRWLVNGLTAGGVK-
General information:
TITO was launched using:
RESULT:
Template:
3PUV.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164764 for 1473 contacts (-111.9/contact) +
2D Compatibility (PS) -21564 + (NN) -6126 + (LL) 6004
1D Compatibility (HY) -20000 + (ID) 3350
Total energy: -209800.0 ( -142.43 by residue)
QMean score : 0.336
(partial model without unconserved sides chains):
PDB file :
Tito_3PUV.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PUV-query.scw
PDB file :
Tito_Scwrl_3PUV.pdb
: