Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MISNISIHPKTMFKNALNIQDFSFKNHTSTAIIGTNGAGKSTLINTILGIRSDYNFKAQNNNIPYHDNVI----PQRKQLGVVSNLFNYPPGLNANDLFKFYQFFHKNCTLDLFEK-----------NLLNKTYEHLSDGQKQRLKIDLALSHHPQLVIMDEPETSLEQNALIRLSNLISLRNTQQ---LTSIIATHDPI-VLDSCEWVLLLKNGNIAQ--------YKPLNSILKSVAKTFNFKEKPTTKDLLALLKDI |
| 2IT1 Chain:A ((17-225)) | --------------TALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGI-----YKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNL--DALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITE |
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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) -65790 for 1323 contacts (-49.7/contact) +
2D Compatibility (PS) -19606 + (NN) -7960 + (LL) 1340
1D Compatibility (HY) -11200 + (ID) 2950
Total energy: -106166.0 ( -80.25 by residue)
QMean score : 0.392
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