Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MALTAGIVGLPNVGKSTLFNAITKAGAEAANYPFATIDPNVGMVEVPDERLQKLT------ELITPKKTVPTTFEFTDIAGIVKGASKGEGLGNKFLANIREVDAIVHVVRAFDDENVMREQGREDAFVDPIADIDTINLELILADLESINKRYARVEKMARTQKDKESVAEFNVLQKIKPVLEDGKSARTIEFTEEEAKVVKGLFLLTTKPVLYVANVDEDKVADPDDIDYVNQIRAFAETENAEVVVISARAEEEISELDDEDKLEFLEAIGLTESGVDKLTRAAYHLLGLGTYFTAGEKEVRAWTFKRGIKAPQAASIIHSDFERGFIRAVTMSYDDLIQYGSEKAVKEAGRLREEGKEYIVQDGDIMEFRFNV |
2DWQ Chain:A ((2-367)) | --LAVGIVGLPNVGKSTLFNALTRANALAA-----TIDKNVGVVPLEDERLYALQRTFAKGERVPP--VVPTHVEFVDIAGLVKGAHKGEGLGNQFLAHIREVAAIAHVLRCFPDP-------------DPLEDAEVVETELLLADLATLERRLERLRKEARA--DRERLPLLEAAEGLYVHLQEGKPARTFPPSEAVARFLKETPLLTAKPVIYVANVAEEDLPDGRGNPQVEAVRRKALEEGAEVVVVSARLEAELAELSGEEARELLAAYGLQESGLQRLARAGYRALDLLTFFTAGEKEVRAWTVRRGTKAPRAAGEIHSDMERGFIRAEVIPWDKLVEAGGWARAKERGWVRLEGKDYEVQDGDVIYVLFNA |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DWQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -134471 for 2777 contacts (-48.4/contact) +
2D Compatibility (PS) -37926 + (NN) -15734 + (LL) 1880
1D Compatibility (HY) -28000 + (ID) 9400
Total energy: -223651.0 ( -80.54 by residue)
QMean score : 0.508
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