Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKVYLRKIDNQILHNKRISIKKGILEHFFDKANNQDEVDMSGILSNYNDKVSILLATDPRLGGGIKRIISAEVDKIKENRLDYELKIDDILLFTYISYKKYTLEIILLADTRYNVLNGLINNSKHLLVFSENETRTLDDGKINESVRIDGGKNIILYGVPGSGKSYTLQRDYCNNSVVEKIVFHPDYSYSDFVGQIMPSVDDSGIVSYKFNPGPFTNILKKAYHNPQTKHVLVIDEINRGNVPAIFGEIFQLLDRLKHDKDGFKKGSSEYAINNTDIANIVHNDKNASIRIPSNLWIVATMNTSDQNVFTLDTAFQRRFSMQLVENSFENVDDDFKNMKILDTDMTWQKFCTTINEKIAQNNEGLSSMEDKRFGVYFVSIDDLKSKENFAHKVIKYLWDDVFKFDRNIIFNTTKFNTLEAVVKNFIKEKDRTQFDVFSDDIKELLFNV |
3WHL Chain:C ((7-65)) | -------------------------------------------------------------------------------------------------------EVVERPNVTYNDIGGL---KKQLQELREAIELPLKHPELFEEVGIDPPKGVLLYGPPGCGKTLMAKAIAHEVNATFIRVVGSELVARLVHELFELAKEKAPTIIFIDEIDAIGAKNRTLMQLLAEMDGFDPRGNVKVIAATNRPDILDPALLRPGRFDRLIEVPLPDEFSRAQILQIHSRKMTINWQELARSTDEFNGAQLKAVTVEAGMIALRNGQSSVKHEDFVEGISEVQAR-------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3WHL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) 419 for 259 contacts (1.6/contact) +
2D Compatibility (PS) -6232 + (NN) -1150 + (LL) 12792
1D Compatibility (HY) -3600 + (ID) 1050
Total energy: 1179.0 ( 4.55 by residue)
QMean score : 0.112
|
|
|