Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKAIFITLEGPDGSGKTTVGTLLNQKMTEAGIDFI-KTREPGGSPISEKVRNIVLGIG-NEEMDPKTEVLLIAGARRQHVVETIRPALAAGKSVLCDRFMDSSLAYQGAGRDMNMEQVLQVNLYAIEDTLPDRTYYLDVPAEVGLARIAANKGREVNRLDKEDITYHEKVQAGYEKVINMFPERFMRVDATKTPEEITETI---LADILRQLA
3N2I Chain:A ((25-232))
MNAKFIVIEGLEGAGKSTAIQVVVETLQQNGIDHITRTREPGGTLLAEKLRALVKEEHPGEELQDITELLLVYAARVQLVENVIKPALARGEWVVGDRHDMSSQAYQGGGRQIAPSTMQSLKQTALGDFKPDLTLYLDIDPKLGLERA---RG-ELDRIEKMDISFFERARERYLELANSDDSVVM-IDAAQSIEQVTADIRRALQDWLSQ--
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) -44014 for 1563 contacts (-28.2/contact) +
2D Compatibility (PS) -21643 + (NN) -7923 + (LL) 728
1D Compatibility (HY) -11200 + (ID) 4050
Total energy: -88102.0 ( -56.37 by residue)
QMean score : 0.570
(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
: