Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSVLEIKNLHVSIEDKEILKGLNLTLKTGEIAAIMGPNGTGKSTLSAAIMGNPNYEVTAGEILFDGEDILELEVDERARLGLFLAMQYPSEVPGITNAEFIRAAMNAGKADDDKISIRQFITKLDEKMELLGMKEEMAERYLNEGFSGGEKKRNEILQLLMLEPKFALLDEIDSGLDIDALKVVSKGVNEMR-GEGFGAMIITHYQRLLNYITPDKVHVMMDGKVVLSGGPELAVRLEKEGYAQIAEELGLEYKEEV |
| 2IT1 Chain:A ((1-222)) | MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAG--IYKPTSGKIYFDEKDVTELPPK---DRNVGLVFQNWALYPHMTVYKNIAFPLELRKAP-----REEIDKKVREVAKMLHIDK-LLN-RYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEAL-AMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEA |
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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) -113489 for 1808 contacts (-62.8/contact) +
2D Compatibility (PS) -23999 + (NN) -7959 + (LL) 512
1D Compatibility (HY) -10400 + (ID) 3150
Total energy: -158485.0 ( -87.66 by residue)
QMean score : 0.506
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