Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTQTWNLLQAGQERNYKVAYINARIIDPETKLDIEGSLLTEGSKIIDFGESLFSNGVPSGVDETINCEGLVLMPGLVDIHVHFREPGQEHKETIYTGSKSAAAGGVTTVVCQPNTTPAIDSVILAKYLKYRALETSHVNIEFYAKITTS--EEKLTEVALLKEAGAVGFTDDGIPVMNPMIMRQALLYSSMLNVPIAQHAEDLNLSAGGAINEGKISEALGVKGILSASESVMVSRDILLMKDIENVHYHILHISSKDSLDAVKRAKDLGLNVTCEVTPHHFTLTEDIVKQHGAIAKMNPPLRTEEDRLAMVEGLKTGVIDCIATDHAPHDRSSKDLPLESAAFGIVGLETMLPLSLE-LYHSGQIDLFDILAKLTYKPADIIHVPRGRVQKNFVADLTLVDLNYEWEIKIDSFASKSKNSPFGGRKVKGRVVRTIVSGKTVYSQK |
3MPG Chain:A ((1-424)) | ---------------MNYLFKNGRYMNEEG-KIVATDLLVQDGKIAKVAENITA-----DNAEVIDVNGKLIAPGLVDVHVHLREPGGEHKETIETGTLAAAKGGFTTICAMPNTRPVPDCREHMEDLQNRIKEKAHVNVLPYGAITVRQAGSEMTDFETLKELGAFAFTDDGVGVQDASMMLAAMKRAAKLNMAVVAHCEENTLINKGCVHEGKFSEKHGLNGIPSVCESVHIARDILLAEA-ADCHYHVCHVSTKGSVRVIRDAKRAGIKVTAEVTPHHLVLCEDDIPSADPNFKMNPPLRGKEDHEALIEGLLDGTIDMIATDHAPHTAEEKAQGIERAPFGITGFETAFPLLYTNLVKKGIITLEQLIQFLTEKPADTFGLEAGRLKEGRTADITIIDLEQEEEIDPTTFLSKGKNTPFAGWKCQGWPVMTIVGGKIAWQKE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MPG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -159312 for 3900 contacts (-40.8/contact) +
2D Compatibility (PS) -45456 + (NN) -15419 + (LL) 1236
1D Compatibility (HY) -22000 + (ID) 9000
Total energy: -249951.0 ( -64.09 by residue)
QMean score : 0.466
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