Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAVMPDKWIREKAESFGMIEPFVDHKSSKGVMSFGLSSYGYDARVDNKFKIFTNVNSAVVDPKDFSKNSFIDKETDVCIIPPNSFALASTVEYFHIPRDVLAICVGKSTYARCGIIVNVTPLEPGWKGHVTLEFSNTTPLPAKIYANEGACQFVFLSGESECEKSYDDIKGKYMNQHGITLPLVK
3KM3 Chain:A ((22-179))
MSVMPDHWIKERALKDGMISPFVDHKEGTGVLSYGLSSYGYDARLDNKFKIFANTHSVVVDPKNFSQDSFVDREGDFCIIPPNSFMLAKTVEYFNIPRDVMVVCVGKSTYARCGIVVNVTPLEPGWSGYVTLEFSNTSPLPVKVYAFEGACQFLFFSG---------------------------
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) -109717 for 1170 contacts (-93.8/contact) +
2D Compatibility (PS) -17325 + (NN) -7458 + (LL) 1412
1D Compatibility (HY) -22400 + (ID) 5900
Total energy: -161388.0 ( -137.94 by residue)
QMean score : 0.552
(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
: