Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASTLEIKDLHVSIEDKEILKGVNLTINTDEIHAIMGPNGTGKSTLSSAIMGHPSYEVTKGEVLLDGVNILELEVDERAKAGLFLAMQYPSEITGVTNADFMRSAINAKREEGQEINLMQFIKKLDKNMDFLDIDKDMAQRYLNEGFSGGEKKRNEILQLMMLEPKFAILDEIDSGLDIDALKVVSKGINQMRG-ENFGALMITHYQRLLNYITPDKVHVMYAGKVVKSGGPELAKRLEEEGYEWVKEEFGSAE |
2IT1 Chain:A ((2-221)) | --VEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAG--IYKPTSGKIYFDEKDVTELPP---KDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAP-----REEIDKKVREVAKMLHIDK-L-LNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEAL-AMADRIAVIREGEILQVGTPDEV------------------- |
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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) -91039 for 1781 contacts (-51.1/contact) +
2D Compatibility (PS) -23499 + (NN) -6124 + (LL) 2196
1D Compatibility (HY) -10000 + (ID) 2650
Total energy: -131116.0 ( -73.62 by residue)
QMean score : 0.429
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