Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGLFITFEGPEGAGKTTVLQEIKNILTAEGL-QVMATREPGGIDIAEQIREVILNEN-NILMDPKTEALLYAAARRQHLVEKVKPALEQGFIVLCDRFIDSSLAYQGYARGLGIDEVLSINEFAIGDMMPHVTVYFSIDPEEGLKRIYANGSREKNRLDLEKLDFHTKVQEGYQELMKRFPERFHSVDAGQSKDLVVQDVLKVIDEALKKIQL
3N2I Chain:A ((25-232))
MNAKFIVIEGLEGAGKSTAIQVVVETLQQNGIDHITRTREPGGTLLAEKLRALVKEEHPGEELQDITELLLVYAARVQLVENVIKPALARGEWVVGDRHDMSSQAYQGGGRQIAPSTMQSLKQTALGDFKPDLTLYLDIDPKLGLER--ARG--ELDRIEKMDISFFERARERYLELANS-DDSVVMIDAAQSIEQVTADIRRALQDWLSQ---
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) -91109 for 1611 contacts (-56.6/contact) +
2D Compatibility (PS) -22336 + (NN) -10141 + (LL) 1000
1D Compatibility (HY) -8000 + (ID) 3800
Total energy: -134386.0 ( -83.42 by residue)
QMean score : 0.577
(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
: