Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSRTWIRNPLAIFTA-------NGLDAAGGLVVEDGRIVELLGAGQQPAQPCASQFDASRHVVLPGLVNTHHHFYQTLTRAWAPVVNQPLFPWLKTLYPVWARLTPEKLELATKVALAELLLSGCTTAADHHYLFPGGLE-QAIDVQAGVVEELGMRAMLTRGSMSLGEKDG-GLPPQQTVQEAETILADSERLIARYHQRGDGARVQIALAPCSP-FSVTPEIMRASAEVAARHDVRLHTHLAETLDEEDFCLQRFGLRTVDYLDSVGWLGPRTWLAHGIHFNAEEIRRLGEAGTGICHCPSSNMRLASGICPTVELEAAGAPIGLGVDGSASNDASNMILEARQALYLQRLRYGAERITPELALGWATRGSARLLGRSDIGELAPGKQADLALFKLDELRFSGSHDPLSALLLCA-ADRADRVMVGGAWRVVDGAVEGLDLAALIARHRAAASALIAG--- |
2PAJ Chain:A ((10-484)) | -PSTLIRNAAAIMTGGRGTADDPSRVPGPDIRIVGDTIDAI---GALAPRPGETIVDATDCVIYPAWVNTHHHLFQSLLKGE----------------PFRALFDERRFRLAARIGLIELARSGCATVADHNYVYYPGMPFDSSAILFEEAEKLGLRFVLLRGGATQTRQLEADLPTALRPETLDAYVADIERLAARYHDASPRAMRRVVMAPTTVLYSISPREMRETAAVARRLGLRMHSHLSGK-------------SPVAFCGEHDWLGSDVWYAHLVKVDADEIALLAQTGTGVAHCPQSNGRL-----PVREMADAGVPVSIGVDGAASNEAADMISEVHMTWLAQRARL----ASIAEVIHWGTAGGARVMGLDEVGKVAVGYAADIAVYRLDDPRYFGLHDPAIGPVASGGRPSVMALFSAGKRVVVDDLIEGVDIKELGGEARRVVRELLREVVV |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PAJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -223718 for 3663 contacts (-61.1/contact) +
2D Compatibility (PS) -44039 + (NN) -22631 + (LL) 2860
1D Compatibility (HY) -22800 + (ID) 7000
Total energy: -317328.0 ( -86.63 by residue)
QMean score : 0.582
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