Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MFQPLL---DAYTDSTRLDETDYKPPLNIALANWWPLDKRESKGFRRFILYFILSQRYTITLHQNPNEPSDLVFGSPIGSARKILSYQNTKRVFYTGENEVPNFNLFDYAIGFDELDFRDRYLRMPLYYASLHYKAESVNDTTAPYKLKDNSLYALKKPSHHFKENHPNLCAVVNDESDPLKRGFASFVASNPNAPIRNAFYDALNSIEPVTGGGSVKNTLGYNVKNKSEFLSQYKFNLCFENTQGYGYVTEKIIDAYFSHTIPIYWGSPSVAKDFNPKSFVNVCDFKNFDEAIDYVRYLHTHPNAYLDMLYENPLNTLDGKAYFYQNLSFKKILDFFKTILENDTIYHDNPFIFYRDLNEPLVAIDDLRVNYDDLRVNYDDLRVNYDDLRVNYDDLRVNYDDLRVNYDDLRVNYDRLLQNASPLLELSQNTTFKIYRKAYQKSLPLLRTIRRWVKK |
4BVA Chain:A ((24-334)) | KRAPAFLSAEEVQDHLR-SSSLLIPPLEAALANFSKGPDGG----------VMQPVRTVVPVAKHRGFLGVMPAYSAAED-------ALTTKLVTFYESHQASVLLFDP---------------------------------------SNGSLLAVMDGNVITAKRTAAVSAIATKLLKPPGSDVLCILGAGVQAYSHYEIFTEQFSFKEVRMWNR-------TRENAEKFASTVQGDVRVCSS-----VQEAVTGADVIITVTMATEPILFGEWVKPGAHINAVG--------------ASRPD--------------------------------------------------WRELDDELMRQAVLYVD--------------------SREAALKESGDVLLSGADIFAELGEVISGAKPA-HCEKTTVFKSLGMAVEDLVAAKLVYDSWSSG |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BVA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 20152 for 2703 contacts (7.5/contact) +
2D Compatibility (PS) -31341 + (NN) -3169 + (LL) 10448
1D Compatibility (HY) -7200 + (ID) 2450
Total energy: -13560.0 ( -5.02 by residue)
QMean score : 0.153
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