Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKFFLDTASVSEIKRISELGLVDGVTTNPTIIAKEGR--------------------PFEEV----IK--------EICSIVDGPVSAEVIG---LEADKMVEEARILAKWA-------PNVVVKIPMTEEGLKAVHTLT-AEGIKTNVTLIFTVSQGLMAAKAGATYISPFLGRLDDI---------GTDGMILIKNLKKVLDNYGLKAEIISASIRHIGHLEEAAEAGAHIATIPGSLFPKLWSHPLTDKGIEGFLKDWEAFSQKEGN
3CQ0 Chain:A ((24-269))
THVVADSGDFEAISKYE----PQDSTTNPSLILAASKLEKYARFIDAAVEYGRKHGKTDHEKIENAMDKILVEFGTQILKVVPGRVSTEVDARLSFDKKATVKKALHIIKLYKDAGVPKERVLIKIASTWEGIQAARELEVKHGIHCNMTLLFSFTQAVACAEANVTLISPFVGRIMDFYKALDYTAETDPGVLSVKKIYSYYKRHGYATEVMAASFRNLDELK--ALAGIDNMTLPLNLLEQLYESTD---------------------
General information:
TITO was launched using:
RESULT:
Template:
3CQ0.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113021 for 1550 contacts (-72.9/contact) +
2D Compatibility (PS) -20667 + (NN) -4823 + (LL) 1376
1D Compatibility (HY) -15200 + (ID) 2900
Total energy: -155235.0 ( -100.15 by residue)
QMean score : 0.481
(partial model without unconserved sides chains):
PDB file :
Tito_3CQ0.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CQ0-query.scw
PDB file :
Tito_Scwrl_3CQ0.pdb
: