Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLLSKFGSLAHLCGPGGVDHLPVKILQPAKADKESFEKAYQVGAVLGSGGFGTVYAGSRIADGLPVAVKHVVKERVTEWGSLGGATVPLEVVLLRKVGAAGGAR--GVIRLLDWFERPDGFLLVLERPEPAQDLFDFITERGALDEPLARRFFAQVLAAVRHCHSCGVVHRDIKDENLLVDLRSGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSATVWSLGVLLYDMVCGDIPFEQD------EEILRGRLLFRRRVSPECQQLIRWCLSLRPSERPSLDQIAAHPWMLGADGGVPESCDLRLCTLDPDDVASTTSSSESL |
4DEB Chain:A ((11-266)) | ---------------------------------------FEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAG--------VEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYA-PLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLG-SAGELKIADFGWSVHAPSSRRDTLCGTLDYLPPEMIE-GRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPW-ITANSS--------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4DEB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -162699 for 2006 contacts (-81.1/contact) +
2D Compatibility (PS) -27296 + (NN) -17568 + (LL) 3828
1D Compatibility (HY) -20000 + (ID) 4150
Total energy: -227885.0 ( -113.60 by residue)
QMean score : 0.398
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