Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDKIFQEKVGPVALTIVPTQKYKSNKIVFKFRAPLERETVTKRALLSILLETNSEKYPTQTDFRKQLANLYGANFYTTTAKKGNEHVLTVIFDMIDGQYVSDGNHILEDAFAFMEQALFRPNVANDAFNEETLTREKENLKSSLEGIYDDKIRFASKRLVEEMFRDDEFRFGSAGVLEDIDAITAKDLYEYYLQFIAEDTIEIFICGDVTKEEVMPLIEKMA--------FSPRPERKGIFYTKEAPKEVRVIHEQQA--INQGKLVLGYQTETLFGDDDFVALQLANGLLGGFA-NSKIFINVREKASLAYYASSRIDSFKGYMIISAGIDEVNYE-------QALKIIEEQVVAMKQGNFTDDELNQTKEMLINQL---LETNDQAQGLIELV-YNNVLRDANLDLENWIAKIKQATKEEVVAAINK-IKPDTIYFLSKGGEELHGKNHI |
3AMJ Chain:B ((109-414)) | ----------------------------------------------------------------------------------------------------------------------ILRDILAHPTFPAPVLERERARAIAGLREAQTQPGSILGRRFTELAY--GKHPYGHVSSVATLQKISRDQLVSFHRTHYVARTAVVTLVGDITRAEAETIAQQLTADLPAGATLPPLPD----------PAMPRATVERIANPATQAHIAIGMPTLKR-GDPDFFPLVVGNYALGGGGFESRLMKEIRDKRGLSYGAYSYFSPQK-----SMGLFQIGFETRAEKADEAVQVANDTLDAFLREGPTDAELQAAKDNLINGFALRLDSNAKILGQVAVIGYYGLPLDY---LDHYTERVQAVTVEQVREAFARHVKRENLITVVVGGK-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3AMJ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -59547 for 1965 contacts (-30.3/contact) +
2D Compatibility (PS) -30492 + (NN) -15967 + (LL) 10940
1D Compatibility (HY) -11200 + (ID) 3450
Total energy: -109716.0 ( -55.84 by residue)
QMean score : 0.457
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