Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKLLEIKELKKSYAIDRGLFKPKRVIHALNGISFEVEQNEVLSIVGESGCGKSTTAKILAGIERQDSGAIYFNGKRHLHFSKQDWFDYRKKVQMIFQDPYSSLNPRWKVGEIIAEPLLLNSHFSKKEIKTKVLEIMQKVGLKLEWIDRYPHQFSGGQRQRIGIARALILHPSVVICDEPVSALDVSIQAQVLNLLLDLQKEMGLTYIFISHDLGVVEHISDKIIVMNQGQIVETGDVDSVISAPKHPYTQKLLNAVPHLEKSMQRFAE |
| 2IT1 Chain:A ((1-235)) | MVEIKLENIVKKFGN----------FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTEL-----PPKDRNVGLVFQNW--ALYPHMTVYKNIAFPLELRKA-PREEIDKKVREVAKMLHIDK-LLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDG |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162073 for 1953 contacts (-83.0/contact) +
2D Compatibility (PS) -25289 + (NN) -6965 + (LL) 976
1D Compatibility (HY) -18400 + (ID) 4150
Total energy: -215901.0 ( -110.55 by residue)
QMean score : 0.552
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