Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQIAVRTFHDIRAALLARRELALLDVREEDPFAQAHPLFAANLPLSRLELEIHARVPRRDTPITVYDDGEGLAPVAAQRLLDLGYSDVALLDGGLSGWRNAGGELFRDVNVPSKAFGELVEAERHTPSLAAEEVQALLDARAEAVILDARRFDEYQTMSIPGGISVPGAELVLRVAELAPDPRTRVIVNCAGRTRSIIGTQSLLNAGIPNPVAALRNGTIGWTLAGQQLEHGQTRRFGAISQDTRKAAAQRARAVADRAGVERLDLAGLAQWQDEHDRTTYLLDVRTPEEYEAGHLPGSRSTPGGQLVQETDHVASVRGARLVLVDDDGVRANMSASWLAQMGWQVAVLDGLSEADFSERGAWSAPLPRQPRADTIDPTTLADWLGEPGTRVLDFTASANYAKRHIPGAAWVLRSQLKQALERLGTAERYVLTCGSSLLARFAVAEVQALSGKPVFLLDGGTSAWVAAGLPTEDGESLLASPRIDRYRRPYEGTDNPREAMQGYLDWEFGLVEQLGRDGTHGFFVI |
3GK5 Chain:A ((101-198)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------YRSINAADLYENI--KAYTVLDVREPFELIFGSIANSINIPISELREKWKILERDKKYAVICAHGNRSAAAVEFLSQLGLN-IVDVEGGIQSWIEEGYPVV----------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GK5.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -69143 for 731 contacts (-94.6/contact) +
2D Compatibility (PS) -10509 + (NN) -4293 + (LL) 27400
1D Compatibility (HY) -6400 + (ID) 950
Total energy: -63895.0 ( -87.41 by residue)
QMean score : 0.533
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