Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDYEKALAFIKSNSTLEQEEGTEVIFKQAQETARGNLDPFLLKDLKQHLGGTNDAIKEAPQEIQMPDFSNLEIATAAALQMRATMGSPNIDL-S-NGVTTEYRVVEGDYGDIPVRIYRHEEATKPVPAFIFYHGGGFVGGTPAVVENFCKGIAEKLPAVVINVDYHLAPEFPAPAAPKDCYRVLEWVVEQSNELGIDASKIGVSGDSAGGTLAAAVSYMDYEAETNYVGFQALLYPALTLVDEDNDKYQWDISKFGASEDTLPLVAPGIIGMNSSGELLRKAYVRDE-NPAAPIYSPLSAVDKSIYPPTLIASAEFDALRAFADVFAKELRASGVQTKAIVYQGMCHAFIDKYGIFPQAEDVADEIVQMMKEIF |
| 3WJ1 Chain:A ((21-300)) | --------------------------------------------------------------------------KASVDEVRKIFRQLASAAPKAEVRKVEDIKIPGSETSINARVYFPKAK-GPYGVLVYLHGGGFVIGDVESYDPLCRAITNACNCVVVSVDYRLAPEYKFPSAVIDSFDATNWIYNNLDKFDG-EMGIAIAGDSAGGNLAAVVALLSKG--KLDLKYQILIYPAVGFDSVS-----RSMIEYSD-G-----F--FLTR-E-HIEWFGSQYLRSPADLLDFRFSPIIAQDLSGLPPALIITAEYDPLRDQGEAYANRLLQAGVPVTSVRFNNVIHGFLSFFPLIDQGKDAIGLIGSVLRRT- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WJ1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -180023 for 2546 contacts (-70.7/contact) +
2D Compatibility (PS) -29537 + (NN) -12811 + (LL) 5984
1D Compatibility (HY) -18400 + (ID) 3600
Total energy: -238387.0 ( -93.63 by residue)
QMean score : 0.475
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