Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLMEKILYQTDEFKLKPSGWYKTIPPK-KDGGTEFE--IML-----SGPIAFTDRFIDPATRKEKVFLSDLNNIELVEKASILTAL------------QLPSLIEYGFTINEK---HIRDLGFVL-----QQMRST--TPLSTIYSGVGMLHTLLGPLISLDQPYFSNEITNSTSIICDNKYDLIPKGNLSEWLQMYKEEVHGNLSLELDVLFGVSSLVTAFLKYHNNVEFSGTIFSFTGQSSTGKSTAAMLAASVAGNPTKGTENLFRSWNATRNALEGYLSGNYGVPIVLDELSAATFHDTTGLLYSFAEGQGRQRANINGDVKTPKN------------------------------------------------------------------------------- |
4XGC Chain:E ((1-458)) | --MEAICSSLEPLFPCREAAIETLGELIGDSSETYPSAIYLFGHSGTGKTALTRAFLKECGKRQNVRTAHLNAIECYTTKIMLEILLDSLAPDQGDALKVDNMLDFVEQLRRQAATRVEDQGFLIAVDNAERLRDMDANVLPVLLRLQELTNLNLCVILLSQLPFEKFYNKTGLSEIVCLHLAQYNKAETQRILGSDFQQVRNQLLEQKKRLEICQEAVTEDFYNNYLNLFLSVFYKACRDVPELQLTARKCLSTYLEPVLDGTSRL---WRHIAGPLRSALTQIYMRIESLELPYYAKFLLIAAFLASH--NAAKQDKRLFSTTLGPKSFSIDRLLAIFYAILEEKVGLTCNLLSQISTLVHLNLLSFVSGEQNIMEGSARLQCTIGLEFVLQIGKVVGFNVRQYLCD |
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General information:
TITO was launched using:
| RESULT:
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Template: 4XGC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -46906 for 1905 contacts (-24.6/contact) +
2D Compatibility (PS) -29749 + (NN) 3093 + (LL) 836
1D Compatibility (HY) -11600 + (ID) 2600
Total energy: -86926.0 ( -45.63 by residue)
QMean score : 0.205
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