Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKILFQEIINKAIEMKASDVHFIPVKNEVSIKFRINDNLEQYEQIGNSIYQKLLVYMKFQAGLDVSTQQVAQSGRYSYHFNKIYFLRISTLPLSLGQESCVIRIVPQ-FFQQQKSTYKFNDFKHLMNKKQGLLLFSGPTGSGKSTLMYQMVSYANKALNLNVISIEDPVEMQIPGIVQINVNDKAGINYVNSFKAILRCDPDVILIGEIRDKDVAKCVIQASLSGHLVLTTLHATDCKGAILRLLEMGISVQELIQATNL-IINQRLVTTI-----------KQQRQLVCEILSQQQLRYFFSHNHSLPSSFKNLEDKLDDMTKAGVICETTMDKYI |
| 4KSS Chain:A ((28-335)) | ---LINAMLGEAIKEGASDIHIETFEKTLSIRFRVDGVLREVLAPSRKLSSLLVSRVKVMAKLDIAEKRVPQDGRISL----AVDVRVSTMPSSHG-ERVVMRLLDKDLHSLGMTAHNHDNFRRLIKRPHGIILVTGPTGSGKSTTLYAGLQELNSS-ERNILTVEDPIEFDIDGIGQTQVNPRVDMTFARGLRAILRQDPDVVMVGEIRDLETAQIAVQASLTGHLVMSTLHTNTAVGAVTRLRDMGIE-PFLISSSLLGVLAQRLVRTLCPDCKEPYEADKEQRKL------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4KSS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187635 for 1969 contacts (-95.3/contact) +
2D Compatibility (PS) -28896 + (NN) -11652 + (LL) 4608
1D Compatibility (HY) -22400 + (ID) 5050
Total energy: -251025.0 ( -127.49 by residue)
QMean score : 0.518
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