Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------------------------MSRSNGSSSRRTFLRLAALLLPAGALLGSLPGVRAAARPRKLYLAGPDVFRADAVAHGEALKALCARYGFEGLYPLDNALPKQLAEPREQAAWIY----RANIG-LIERADAVLANLNFF--RGAEPDSGTAFEVGYATALGKPVYGYVDDAGSYAERIRRHAPELIGEDPTRDRDGMTL------------EEFGLPLNLMLAVPATL------------VVGDAEQALRQLASRRHG |
1IPA Chain:A ((1-263)) | MRITSTANPRIKELARLLERKHRDSQRRFLIEGAREIERALQAGIE-LEQALVWEGGLNPEEQQVYAALL----ALLEVSEAVLKKLSVRDNPAGLIALARMPERTL-----EEYRPSPDALILVAVGLEKPGNLGAVLRSADAAGAEAVLVAG-GVDLYSPQVIRNSTGVVFSLRTLAA-SESEVLD-WIKQHNLPLVATTPHAEALYWEANLRPPVAIAVGPEHEGLRAAWLEAAQTQVRIPMQGQADSLNVSVSAALLLYEALRQRLL |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IPA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -47042 for 1383 contacts (-34.0/contact) +
2D Compatibility (PS) -20350 + (NN) -1472 + (LL) 1036
1D Compatibility (HY) -1600 + (ID) 1600
Total energy: -71028.0 ( -51.36 by residue)
QMean score : 0.192
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