Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTIVAMNEVVKSFTGDIILEKVSLQLEEGERVGLIGRNGEGKSTILKILKGTEGVDSGIVTSKK---------GARIGLLEQLSSVDPNIIVEHYLRTSFGELEDMEKELRSLEAEMATNASEKLMNRYGDKMALFGELGGYEMDANLNKVVNGLGIGKLLSQSWGDLSGGEKTKTALAHLLLQKTDLLLLDEPTNHLDLMAVEWLTAFLQHY----SGTVLVVSHDRYFLDEVVEKMVELENRELIVYHTNFSGYLKEREERLLREFQDYKDQQKKIKKMQQAIKRLRQWAMQANPPNDAMFRRAKNMERALERMEKVKRPVLTQKQMQLQFDEAGRSGQEVVVMENLSKSFSEKTIVQEVSLQIRQGERVAIIGENGAGKSTLLKIMEGKVVPDDGVIKVGASVKIASLSQQMEELNEEMTVLDAFRDKVAVTEGEARQMLAGFMFYGEMVFRKVRNISGGERMRLRLAQFINMPVNTLILDEPTNHLDIASREVLEEAIRAFSGTIITVSHDRYFIDQLCSKVIWLENKQLTVYEGNYSYATSKRR |
| 2IT1 Chain:A ((1-223)) | MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRK----------------------------------APREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQV-GTPDEVYY--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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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) -120303 for 1683 contacts (-71.5/contact) +
2D Compatibility (PS) -22460 + (NN) -8043 + (LL) 27436
1D Compatibility (HY) -11600 + (ID) 2700
Total energy: -137670.0 ( -81.80 by residue)
QMean score : 0.476
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