Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEVVDPQQLGMFTEGELMSVGMDTFIHRIDSTEVIYQPRRKRAKLIGKYLMGDLLGEGSYGKVKEVLDSETLCRRAVKILKKKKLRRIPNGEANVKKEIQLLRRLRHKNVIQLVDVLYNEEKQKMYMVMEYCVCGMQEMLDSVPE----------------K----------------RF--------PVCQAHGYFCQLIDGLEYLHSQGIVHKDIKPGNLLLTTGG--TLKISDLGVAEALHPFAADDTCRTSQGSPAFQPPEIANGLDTFSGFKVDIWSAGVTLYNITTGLYPFEGDNIYKLFENIGKGSYAI--PG--DCGPPLSDLLKGMLEYEPAKRFSIRQIRQHSWFRKKHPPAEAPVPIPPSPDTKDRWRSMTVVPYLEDLHGADEDEDLFDIEDDIIYTQDFTVPGQVPEEEASHNGQRRGLPKAVCMNGTEAAQLSTKSRAEGRAPNPARKACSASSKIRRLSACKQQ |
3HKO Chain:A ((23-338)) | -------------------------------------------ELQKKYHLKGAIGQGSYGVVRVAIENQTRAIRAIKIMNKNKIRQ--KDVERIKTEVRLMKKLHHPNIARLYEVYED--EQYICLVMELCHGG--HLLDKLNVFIDDSTGKCAMDVVKTQICPCPECNEEAINGSI-FRESLDFVQREKLISNIMRQIFSALHYLHNQGICHRDIKPENFLFSTNKSFEIKLVDFGLSKEFYKLNNG------AGTPYFVAPEVLNTTNESYGPKCDAWSAGVLLHLLLMGAVPFPGVNDADTISQVLNKKLCFENPNYNVLSPLARDLLSNLLNRNVDERFDAMRALQHPWISQFSDKIYKMS----------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3HKO.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -120387 for 1990 contacts (-60.5/contact) +
2D Compatibility (PS) -27089 + (NN) -8137 + (LL) 9256
1D Compatibility (HY) -18400 + (ID) 4200
Total energy: -168957.0 ( -84.90 by residue)
QMean score : 0.432
|
|
|