Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLLSKFGSLAHLCGPGGVDHLPVKILQPAKADKESFEKAYQVGAVLGSGGFGTVYAGSRIADGLPVAVKHVVKERVTEWGSLGGATVPLEVVLLRKVGAAGGARGVIRLLDWFERPDGFLLVLERPEPAQDLFDFITERGALDEPLARRFFAQVLAAVRHCHSCGVVHRDIKDENLLVDLRSGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSATVWSLGVLLYDMVCGDIPFEQDEEILRGRLLFRRRVSPECQQLIRWCLSLRPSERPSLDQIAAHPWMLGADGGVP-ESCDLRLCTLDPDDVASTTSSSESL |
3UMW Chain:A ((10-277)) | --------------------------------------QYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGEL---RVPMEVVLLKKVSS--GFSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWM--QDVLLPQETAEIHL------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UMW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -186492 for 2172 contacts (-85.9/contact) +
2D Compatibility (PS) -27869 + (NN) -12284 + (LL) 2268
1D Compatibility (HY) -39200 + (ID) 9900
Total energy: -273477.0 ( -125.91 by residue)
QMean score : 0.481
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