Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDKIFQEKVGPVALTIVPTQKYKSNKIVFKFRAPLERE---TVTKRALLSILLETNSEKY---PTQTDFRKQLANLYGANFYTTTAKKGNEHVLTVIFDMIDGQYVSDGNHILEDAFAFMEQALFRPNVANDAFNEETLTREKENLKSSLEGIYDDKIRFASKRLVEEMFRDDEFRFGSAGVLEDIDAITAKDLYEYYLQFIAEDTIEIFICGDVTKEEVMPLI-EKMAFSPRPERKGIFYTKEAPKEVRVIHEQQAINQGKLVLGYQTETLFGDDDFVALQLANGLLGG-FANSKIFINVREKASLAYYASSRIDS--FKGYMIISAGIDEVNYEQALKIIEEQVVAMKQGNFTDDELNQTKEMLINQLLETNDQAQGLIELVYNNVLRDAN-LDLENWIAKIKQATKEEVVAAINKIKP-D-TIYFLSKGGEELHGKNHI |
3AMJ Chain:B ((5-414)) | ----EHWTAPSGAQVYYVENRTLPMLDVQVDFDAGSAREPADQVGVASMTASLMDAGTGSGKSALDENAIADRLADI-GARLGGGAEAD----RASFSLRVLSSP------AERNSALTILRDILAHP-----TFPAPVLERERARAIAGLREAQTQPGSILGRRFTELAYGKHPYGHV--SSVATLQKISRDQLVSFHRTHYVARTAVVTLVGDITRAEAETIAQQLTADLPAGATLPPLPDPAMPRATVERI-ANPATQAHIAIGMPTLKR-GDPDFFPLVVGNYALGGGGFESRLMKEIRDKRGLSYGAYSYFSPQKSMGLFQIGFETRAEKADEAVQVANDTLDAFLREGPTDAELQAAKDNLINGFALRLDSNAKILGQVAVIGYYGLPLDYLDHYTERVQAVTVEQVREAFARHVKRENLITVVVGGK--------- |
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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) -130902 for 3275 contacts (-40.0/contact) +
2D Compatibility (PS) -43472 + (NN) -20889 + (LL) 1104
1D Compatibility (HY) -6400 + (ID) 3550
Total energy: -204109.0 ( -62.32 by residue)
QMean score : 0.517
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