Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTGLFVTLEGPEGAGKSTNRDYLAERLRERGIE-VQLTREPGGTPLAERIRELLLAPS-DEPMAADTELLLMFAARAQHLAGVIRPALARGAVVLCDRFTDATYAYQGGGRGLPEARIAALESFVQGDLRPDLTLVFDLPVEIGLARAAARGRLDRFEQEDRRFFEAVRQTYLQRAAQAPERYQVLDAGLPLAEVQAGLDRLLPNLLERLNG
3N2I Chain:B ((26-234))
-NAKFIVIEGLEGAGKSTAIQVVVETLQQNGIDHITRTREPGGTLLAEKLRALVKEEHPGEELQDITELLLVYAARVQLVENVIKPALARGEWVVGDRHDMSSQAYQGGGRQIAPSTMQSLKQTALGDFKPDLTLYLDIDPKLGLERARGRGELDRIEKMDISFFERARERYLE-LANSDDSVVMIDAAQSIEQVTADIRRALQDWLSQVN-
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) -82417 for 1638 contacts (-50.3/contact) +
2D Compatibility (PS) -24098 + (NN) -19831 + (LL) 136
1D Compatibility (HY) -16400 + (ID) 4450
Total energy: -147060.0 ( -89.78 by residue)
QMean score : 0.580
(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
: