Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTVQRKKISLIGAGNIGGALAHMVTLRELGDVVLFDVNDGIPQGKALDIAESSPIGGFSVNIIGTNRYGDIKNSDAIIITAGIARKPGMSRDDLLQTNAKVMKEVGENIRKYSPNAFVIVVTNPLDAMVSVVHKFSNLPANMIVGMAGVLDSSRFRYFLARELNISVEDVSAFVLGGHGDTMVPLIRCASIAGIPLTQIIDMGLITQEKVDEIVKRTRNGGKEIIDLLKSGSAYYAPASSSIYMLESYLRDEKRILPCATYLNGEYGVKDLFIGVPVIIGKNGIEKVLEVKMDDSEQEMFNKSVNAVKELVKSLSL |
| 4CL3 Chain:A ((2-306)) | ----RKKISIIGAGFVGSTTAHWLAAKELGDIVLLDIVEGVPQGKALDLYEASPIEGFDVRVTGTNNYADTANSDVIVVTSGAPRKPGMSREDLIKVNADITRACISQAAPLSPNAVIIMVNNPLDAMTYLAAEVSGFPKERVIGQAGVLDAARYRTFIAMEAGVSVEDVQAMLMGGHGDEMVPLPRFSTISGIPVSE-----FIAPDRLAQIVERTRKGGGEIVNLLKTGSAYYAPAAATAQMVEAVLKDKKRVMPVAAYLTGQYGLNDIYFGVPVILGAGGVEKILELPLNEEEMALLNASAKAVRATLDTLKS |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CL3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -292018 for 2725 contacts (-107.2/contact) +
2D Compatibility (PS) -33108 + (NN) -13891 + (LL) 940
1D Compatibility (HY) -32000 + (ID) 7650
Total energy: -377727.0 ( -138.62 by residue)
QMean score : 0.663
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