Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRAKMKDIYLDVEKSIKDLQSIFKNADGRDEKLKRFNQEALEVFQKLERESLKELESLKN--NEEWENFTIAFYGETGAGKSTLIECLRMFFKEQSKV---DQQE--RFKRLYSTYQYNHQNFILLDV-PGIEG---SE-------KKVIDQISNATQKAHAIFMLPKRLILRKKEKKGKGERLKKSKNSLIRKQRYGRFSTNRLIAQEP |
2IT1 Chain:A ((18-160)) | --------------------------------------------------------ALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRY-----------PWQLSGGQQQRVAIARALVKEPEVLLLDEP |
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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) 7579 for 759 contacts (10.0/contact) +
2D Compatibility (PS) -12737 + (NN) 2026 + (LL) 5844
1D Compatibility (HY) -3600 + (ID) 1150
Total energy: -2038.0 ( -2.69 by residue)
QMean score : 0.201
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