Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSLPKPNNQTTVVITGASSGIG----VELARGLAGRGFPLMLVARRRERLDELADQLRQEH-CVGVEVLPLDLADTQARAQLADRLRSD--AIAGLCNSAGFGT-SGRFWELPFARESEEVVLNALALMELTHAALPGMVKRGAGAVLNIASIAGFQPIPYMAVYSATKAFVLTFSEAVQEELHGTGVSVTALCPGPVPTEWAEIASAERFSIPLAQVSPHDVAEAAIAGMLSGKRTVVPGIVPKFVSTSGRFAPRSLLLPAIRIGNRLRGGPSR
3RKU Chain:B ((33-226))
--------KKTVLITGASAGIGKATALEYLEASNG-DMKLILAARRLEKLEELKKTIDQEFPNAKVHVAQLDITQAEKIKPFIENLPQEFKDIDILVNNAGKALGSDRVGQIATEDIQDVFDTNVTALINITQAVLPIFQAKNSGDIVNLGSIAGRDAYPTGSIYCASKFAVGAFTDSLRKELINTKIRVILIAPGLVETEFS------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3RKU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -110629 for 1419 contacts (-78.0/contact) +
2D Compatibility (PS) -20817 + (NN) -15906 + (LL) 4356
1D Compatibility (HY) -11200 + (ID) 3150
Total energy: -157346.0 ( -110.89 by residue)
QMean score : 0.539
(partial model without unconserved sides chains):
PDB file :
Tito_3RKU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3RKU-query.scw
PDB file :
Tito_Scwrl_3RKU.pdb
: