Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGLFITFEGPEGAGKTTVLQEIKNILTAEGL-QVMATREPGGIDIAEQIREVILNEN-NILMDPKTEALLYAAARRQHLVEKVKPALEQGFIVLCDRFIDSSLAYQGYARGLGIDEVLSINEFAIGDMMPHVTVYFSIDPEEGLKRIYANGSREKNRLDLEKLDFHTKVQEGYQELMKRFPERFHSVDAGQSKDLVVQDVLKVIDEALKKIQL
3N2I Chain:B ((26-233))
-NAKFIVIEGLEGAGKSTAIQVVVETLQQNGIDHITRTREPGGTLLAEKLRALVKEEHPGEELQDITELLLVYAARVQLVENVIKPALARGEWVVGDRHDMSSQAYQGGGRQIAPSTMQSLKQTALGDFKPDLTLYLDIDPKLGLER--ARGRGELDRIEKMDISFFERARERYLELANS-DDSVVMIDAAQSIEQVTADIRRALQDWLSQV--
General information:
TITO was launched using:
RESULT:
Template:
3N2I.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -80602 for 1635 contacts (-49.3/contact) +
2D Compatibility (PS) -22967 + (NN) -13261 + (LL) 932
1D Compatibility (HY) -8000 + (ID) 3750
Total energy: -127648.0 ( -78.07 by residue)
QMean score : 0.560
(partial model without unconserved sides chains):
PDB file :
Tito_3N2I.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3N2I-query.scw
PDB file :
Tito_Scwrl_3N2I.pdb
: