Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MWQLTSLLLFVATWGISGTPAPLDSVFSSSERAHQVLRIRKRANSFLEELRHSSLERECIEEICDFEEAKEIFQNVDDTLAFWSKHVDGDQCLVLPLEHPCASLCCGHGTCIDGIGSFSCDCRSGWEGRFCQREVSFLNCSLDNGGCTHYCLEEVGWRRCSCAPGYKLGDDLLQCHPAVKFPCGRPWKRMEKKRSHLKRDTEDQEDQVDPRLIDGKMTRRGDSPWQVVLL---DSKKKLACGAVLIHPSWVLTAAHCM-----DESKKLLVRLGEYDLRRWEKWELDLDIKEVFVHPNYSKST---TDNDIALLHLAQPATLSQTIVPICLPDSGLAERELNQAGQETLVTGWGYHSSREKEAKRNRT---FVLNFIKIPVVPHNECSEVM----------SNMVSENMLCAGILGDRQ--DACEGDSGGPMV--ASFHGTWFLVGLVSWGEGCGLLHNYGVYTKVSRYLDWIHGHIRDKEAPQKSWAP |
1A0L Chain:A ((1-244)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IVGGQEAPRSKWPWQVSLRVHG-PYWMHFCGGSLIHPQWVLTAAHCVGPDVKDLAA-LRVQLREQHLYY---QDQLLPVSRIIVHPQFYT--AQI-GADIALLELEEPVKVSSHVHTVTLPPAS---ETFPP-GMPCWVTGWGDVDND------ERLPPPFPLKQVKVPIMENHICDA-KYHLGAYTGDDVRIVRDDMLCAGNT----RRDSCQGDSGGPLVCKVN--GTWLQAGVVSWGEGCAQPNRPGIYTRVTYYLDWIHHYVPKK--------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1A0L.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -194769 for 1785 contacts (-109.1/contact) +
2D Compatibility (PS) -23892 + (NN) -7457 + (LL) 14368
1D Compatibility (HY) -16800 + (ID) 4500
Total energy: -233050.0 ( -130.56 by residue)
QMean score : 0.244
|
|
|