Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVMPDKWIREKAESFGMIEPFVDHKSSKGVMSFGLSSYGYDARVDNKFKIFTNVNSAVVDPKDFSKNSFIDKETDVCIIPPNSFALASTVEYFHIPRDVLAICVGKSTYARCGIIVNVTPLEPGWKGHVTLEFSNTTPLPAKIYANEGACQFVFLSGESECEKSYDDIKGKYMNQHGITLPLVK
3KM3 Chain:B ((22-178))
MSVMPDHWIKERALKDGMISPFVDHKEG--VLSYGLSSYGYDARLDNKFKIFANTHSVVVDPKNFSQDSFVDREGDFCIIPPNSFMLAKTVEYFNIPRDVMVVCVGKSTYARCGIVVNVTPLEPGWSGYVTLEFSNTSPLPVKVYAFEGACQFLFFS----------------------------
General information:
TITO was launched using:
RESULT:
Template:
3KM3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113710 for 1152 contacts (-98.7/contact) +
2D Compatibility (PS) -17114 + (NN) -10039 + (LL) 1132
1D Compatibility (HY) -22400 + (ID) 5800
Total energy: -167931.0 ( -145.77 by residue)
QMean score : 0.611
(partial model without unconserved sides chains):
PDB file :
Tito_3KM3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3KM3-query.scw
PDB file :
Tito_Scwrl_3KM3.pdb
: