Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | AENLWVTVYYGVPVWKDAETTLFCASDAKAYETEKHNVWATHACVPTDPNPQEIHLENVTEEFNMWKNNMVEQMHTDIISLWDQSLKPCVKLTPLCVTLQCTNVTNNITDDMRGELKNCSFNMTTELRDKKQKVYSLFYRLDVVQINENQGNRSNNSNKEYRLINCNTSAITQACPKVSFEPIPIHYCAPAGFAILKCKDKKFNGTGPCPSVSTVQCTHGIKPVVSTQLLLNGSLAEEEVMIRSENITNNAKNILVQFNTPVQINCTRPNNNTRKSIRIGPGQAFYATGDIIGDIRQAHCNVSKATWNETLGKVVKQLRKHFGNNTIIRFANSSGGDLEVTTHSFNCGGEFFYCNTSGLFNSTWISNTSVQGSNSTGSNDSITLPCRIKQIINMWQRIGQAMYAPPIQGVIRCVSNITGLILTRDGGST---NSTTETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVGRRRRRR |
3LQA Chain:G ((4-323)) | -------------------------------------------------------LENVIENFNMWKNDMVDQMHQDIISLWDQSLKPCVKLTP------------------------------------------------------------------------NTSTIAQACPKVSFDPIPIHYCAPAGYAILKCNDKTFNGIGPCNNVSTVQCTHGIKPVVSTQLLLNGSLAEEEVVIRSENISNNVKTIIVHLTESVNITCI-------------------------G----GHCNINEKAWNETLKKVVEKLVKYFPNKTI-EFAPPVGGDLEITTHSFNCGGEFFYCNTTKLFNSIHNS---------------ITLPCRIRQIINMWQEVGRAMYAPPSKGNITCISDITGLLLTRDGGENKTENNDTEIFRPGGGDMKDNWRSELYKYKVVEI---------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3LQA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -115892 for 2158 contacts (-53.7/contact) +
2D Compatibility (PS) -31484 + (NN) -7999 + (LL) 10436
1D Compatibility (HY) -37600 + (ID) 10950
Total energy: -193489.0 ( -89.66 by residue)
QMean score : 0.251
|
|
|