Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------------------------------------------------MTYIEILGQNAKKASQS-VARLSTASKNEILRDLARNIVADTETILTENARDVAKAKDNGISEIMVDRLRLNKDRIQAIANGIYQVADLADPIGQVVSGYTNLDGLKILKKRVPLGVIAMI--FESRPNVSVDAFSLAFKTGNAIILRGGKDAIFSNTALVNCMRQTLQDTGHNPDIVQLVEDTSHVVAEELMQATDYVDVLI---PRGGAKLIQTVKEKSKIPVIETGVGNVHIYIDEFADLDMAAKIVINAKTQRP-SVCNAAEGLVVHQAIAKGFLSQLEKMLK--------ESNQSVEFRADEEALQLLENAVAASESDYATEFLD--------------------------------------YIMSVKVVDSFEQAISWINKYSSHHSEAIITNNISRAEIFQDMVDAAAVYVNASTRFTDGFVFGLGAEIGISTQKLHARGPMGLEALTSTKYYINGTGQVRE------ |
1A4S Chain:A ((1-503)) | AQLVDSMPSASTGSVVVTDDLNYWGGRRIKSKDGATTEPVFEPATGRVLCQMVPCGAEEVDQAVQSAQAAYL-KWSKMAGIERSRVMLEAARIIRERRDNIAKLEVINNGKT----ITEAE-YDIDAAWQCIEYYAGLAPTL-S-----GQHIQLP---GGAFAYTRREPLGVCAGILAWNYPFMIAAWKCAPALACGNAVVFKPSPMTPVTGVILAEIFHEA----GVPVGLVNVVQGG-AETGSLLCHHPNVAKVSFTGSVPTGKKVMEMSAK-TVKHVTLELGGKSPLLIFKDCELENAVRGALMANFLTQGQVCTNGTRVFVQREIMPQFLEEVVKRTKAIVVGDPLLTETRMGGLISKPQLDKVLGFVAQAKKEGARVLCGGEPLTPSDPKLKNGYFMSPCVLDNCRDDMTCVKEEIFGPVMSVLPFDTEEEVLQRANNTTFGLASGVFTRDISRAHRVAANLEAGTCYINTYSI--SPVEVPFGGYKMSGFGREN--GQATVDYYSQLKTVIVE-MG---DVDSLF |
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General information:
TITO was launched using:
| RESULT:
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Template: 1A4S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173393 for 3263 contacts (-53.1/contact) +
2D Compatibility (PS) -42421 + (NN) -18780 + (LL) 1684
1D Compatibility (HY) -10400 + (ID) 3500
Total energy: -246810.0 ( -75.64 by residue)
QMean score : 0.459
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