Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLLSKFGSLAHLCGPGGVDHLPVKILQPAKADKESFEKAYQVGAVLGSGGFGTVYAGSRIADGLPVAVKHVVKERVTEWGSLGGATVPLEVVLLRKVGAAGGARGVIRLLDWFERPDGFLLVLERPEPAQDLFDFITERGALDEPLARRFFAQVLAAVRHCHSCGVVHRDIKDENLLVDLRSGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSATVWSLGVLLYDMVCGDIPFEQDEEILRGRLLFRRRVSPECQQLIRWCLSLRPSERPSLDQIAAHPWMLGADGGVP-ESCDLRLCTLDPDDVASTTSSSESL |
2C3I Chain:B ((37-305)) | --------------------------------------QYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGE--GTRVPMEVVLLKKVSS--GFSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIGGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWM--QDVLLPQETAEIHLH----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C3I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173120 for 2197 contacts (-78.8/contact) +
2D Compatibility (PS) -28340 + (NN) -13944 + (LL) 2416
1D Compatibility (HY) -38400 + (ID) 9850
Total energy: -261238.0 ( -118.91 by residue)
QMean score : 0.499
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