Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------MTAPNEPGA--LSKGDGPNADGLVDRGGAHRAATGPGRIPDAGDPPPWQRAATRQSQAGHRQPPPVSHPEGRPTNPP---AAADARLNRFISGASAPVTGPAAAV-RTPQPDPDASLG------CGDGSPAEAYASELPDLSGPTPRAPQRNPAPARPAEGGAGSRGDSAAGSSGGRSITAESRDARVQLSARRSRGPVRASMQIRRIDPWSTLKVSLLL-------SVALFFVWMITVAFLYLVLGGMGVWA---KLNSNVGDLLNNASGSSAELVSSGTIFGGAFLIGLVNIV--LMTALATIGAFVYNLITDLIGGIEVTLADRD |
5GAP Chain:G ((150-467)) | LLDLSKFKIYYDNNHGYEWWDTAYLDEKGELMEKYDMNGTSPAEEKLAEDIDEVDDDDDDEHPSIRYVAHPLPEKINEAKVSIKAYLTQHERKRLRRNRRKMAREAREIKIKLGLLPKPEPKVKLSNMMSVFENDQNITDPTAWEKVVKDQVDLRKRKHLEENERRHEDAIKRRKEAVNMN------VEKPTVYHCKVFQFKNLQNPKIRFKLKMNSKELSLK-GLCLRIRDDGPGIIIVVGNEKSCKFYENLVMKRIKWNEDFELHTNTGDIKMDMHNNSISKTWEGYLQDCKFKGWFMKVCNDQDSLLRTLGQFDSEHFYSPV----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5GAP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -57021 for 1536 contacts (-37.1/contact) +
2D Compatibility (PS) -30204 + (NN) -10587 + (LL) 572
1D Compatibility (HY) -2400 + (ID) 1950
Total energy: -101590.0 ( -66.14 by residue)
QMean score : 0.250
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