Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSDLKTMMLNFGPQHPAAHGVLRLVLEMDGEIIERADPHIGLLHRGTEKLIEHKTYLQALPYFDRLDYVSPMSQEHAYSLCVEKLLQCEVPIRAKYLRVLFCELTRILNHLLNISSQALDVGAMTPLLWLFEEREKILEFYERASGARFHAAYIRPGGVAADVPEGLIEDIAKFIEQFPQYIDDVDELLTENRIWKQRTVGISEISIKQALDWGFSGPMLRAAGLAWDLRKSQPYEIYDQLDFDIPVGQNGDCYDRYLVRMEEIRQSVSLVKQCIEKIPEGPVKTEDRKISPPPRTEMKRSMEALIHHFKLYSEGYHVPEGEAYAAVEAPKGEFGVYIVSDGTNRPYRCRIRAPGFAHLQALDFMAKGHMLADVAAIIGSLDIVFGEIDR |
3MYR Chain:B ((15-108)) | -------------------GHLRIEAQMDGATIAQAYSS-GTMVRGIETILKGRDPRDAWAFVQRICGVCTLVHGIASVRAVEDALRIELPLNAQLIRNLMIGAQYIHDHVMHFYHLHALDWVDVVSALSADPRATSELAQSISAWPKSSPGYFADTQKRIKTFVESGQLGIFANGYWGHPAYRLPPEANLMAVAHYLEALAWQRDTAKFHAIFGGKNPHPNFVVGGVPSPIDLDSDSALNAKRLAEVRNLIQSMRTFVDQVYVPDTLAIAGFYKDWGERGEGLGNFLCYGDLPTGASLDPATFLFPRGAILDRDLSTIHEVDLEATGEIQEFVNHSWYEYSVGNDRGLHPYEGQTNLEYDRRGGVAPPYKQLDVSDGYSWLKAPRWKGR |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3MYR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -13065 for 472 contacts (-27.7/contact) +
2D Compatibility (PS) -9583 + (NN) -1405 + (LL) 1288
1D Compatibility (HY) -4800 + (ID) 1300
Total energy: -28865.0 ( -61.15 by residue)
QMean score : 0.112
|
|
|