Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTVQRKKISLIGAGNIGGALAHMVTLRELGDVVLFDVNDGIPQGKALDIAESSPIGGFSVNIIGTNRYGDIKNSDAIIITAGIARKPGMSRDDLLQTNAKVMKEVGENIRKYSPNAFVIVVTNPLDAMVSVVHKFSNLPANMIVGMAGVLDSSRFRYFLARELNISVEDVSAFVLGGHGDTMVPLIRCASIAGIPLTQIIDMGLITQEKVDEIVKRTRNGGKEIIDLLKSGSAYYAPASSSIYMLESYLRDEKRILPCATYLNGEYGVKDLFIGVPVIIGKNGIEKVLEVKMDDSEQEMFNKSVNAVKELVKSLSL |
4CL3 Chain:D ((2-306)) | ----RKKISIIGAGFVGSTTAHWLAAKELGDIVLLDIVEGVPQGKALDLYEASPIEGFDVRVTGTNNYADTANSDVIVVTSGAPRKPGMSREDLIKVNADITRACISQAAPLSPNAVIIMVNNPLDAMTYLAAEVSGFPKERVIGQAGVLDAARYRTFIAMEAGVSVEDVQAMLMGGHGDEMVPLPRFSTISGIPVSE-----FIAPDRLAQIVERTRKGGGEIVNLLKTGSAYYAPAAATAQMVEAVLKDKKRVMPVAAYLTGQYGLNDIYFGVPVILGAGGVEKILELPLNEEEMALLNASAKAVRATLDTLKS |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4CL3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -288524 for 2677 contacts (-107.8/contact) +
2D Compatibility (PS) -32992 + (NN) -12930 + (LL) 940
1D Compatibility (HY) -32000 + (ID) 7650
Total energy: -373156.0 ( -139.39 by residue)
QMean score : 0.657
|
|
|