Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKEIAKSLLDIEAVTLSPNDLYTWSSGIKSPIYCDNRVTLGYPLVRGAIRDGLINLIKEHFPEVEVISGTATAGIPHAAFIAEKLK---------LPMNYVRSSNKSHGKQNQIEGAKSEGKKVVVIEDLISTGGSSVTAVEALKQAGAEVLGVVAIFTYGLKK---AD------DTF-SNIQLPFYTLSDYNELIEVAENEGKISSEDIQTLVEWRDNLA
2PS1 Chain:A ((9-223))
-QKNFLELAIECQALRF---GSFKLKSGRESPYFFNLGL-FNTGKLLSNLATAYAIAIIQSDLKFDVIFGPAYKGIPLAAIVCVKLAEIGGSKFQNIQYAFNRKEAKDHGEGGIIVGSALENKRILIIDDVMTAGTAINEAFEIISNAKGQVVGSIIALDRQEVVSTDDKEGLSATQTVSKKYGIPVLSIVSLIHIITYLE--GRITAEEKSKIEQYLQTYG
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) -129231 for 1530 contacts (-84.5/contact) +
2D Compatibility (PS) -21095 + (NN) -5804 + (LL) 36
1D Compatibility (HY) -14800 + (ID) 2050
Total energy: -172944.0 ( -113.04 by residue)
QMean score : 0.592
(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
: