Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIKACYQNAQALLEGHFLLSSGFHSNYYLQSAKVLEDPKLAEQLALELAKQIQEAHLNIECVCSPAIGGILAGYELARALGV---------RFIFTERV---DNTMTLRRGFEVKKNEKILVCEDIITTGKSAMECAKVLEEKGAQIVAFGALANRGICKRAHSHLKAQEGACL-P-SHLPLFALEDFVFDMHKPSSCPLCATSVAIKPGSRGN
2PS1 Chain:A ((10-209))
KNFLELAIECQALRFGSFKLKSGRESPYFFNLGLF-NTGKLLSNLATAYAIAIIQSDLKFDVIFGPAYKGIPLAAIVCVKLAEIGGSKFQNIQYAFNRKEAKDHGEGGIIVGS-ALENKRILIIDDVMTAGTAINEAFEIISNAKGQVVGSIIALDRQEVVSTDDKEGLSATQTVSKKYGIPVLSIVSLIHIITYLEGRITAEEKSKIEQYLQTY
General information:
TITO was launched using:
RESULT:
Template:
2PS1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -93885 for 1448 contacts (-64.8/contact) +
2D Compatibility (PS) -19768 + (NN) -5009 + (LL) 280
1D Compatibility (HY) -7600 + (ID) 1750
Total energy: -127732.0 ( -88.21 by residue)
QMean score : 0.500
(partial model without unconserved sides chains):
PDB file :
Tito_2PS1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PS1-query.scw
PDB file :
Tito_Scwrl_2PS1.pdb
: