Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRAPGAGAASVVSLALLWLLGLPWTWSAAAALGVYVGSGGWRFLRIVCKTARRDLFGLSVLIRVRLELRRHQRAGHTIPRIFQAVVQRQPERLALVDAGTGECWTFAQLDAYSNAVANLFRQLGFAPGDVVAIFLEGRPEFVGLWLGLAKAGMEAALLNVNLRREPLAFCLGTSGAKALIFGGEMVAAV-AEVS----GHLGKSLIKFCSGDLGPEGILPDTHLLDPLLKEASTAPLAQIPSKGMDDRLFYIYTSGTTGLPKAAIVVHSRYYRMAAFGHHAYRMQAADVLYDCLPLYHSAGNI-IGVGQCLIYGLTVVLRKKFSASRFWDDCIKYNCTVVQYIGEICRYLLKQPVREAERRHRVRL--AVGNGLRPAIWEEFTERFGVRQIGEFYGATECNCSIANMDG----KVGSCGFNSRILPHVYPI-RLVKVNEDTMELLRDAQGLCIPCQAGEPGLLVGQINQQDPLRRFDGYVSESATSKKIAHSVFSKGDSAYLSGDVLVMDELGYMYFRDRSGDTFRWRGENVSTTEVEGVLSRLLGQTDVAVYGVAVPGVEGKAGMAAVADPHSLLDPNAIYQELQKV-LAPYARPIFLRLLPQVDTTGTFKIQKTRLQREGFDPRQTSDRLFFLDLKQGHYLPLNEAVYTRICSGAFAL |
| 1MDB Chain:A ((24-530)) | --------------------------------------------------------------------------GETFGDLLRDRAAKYGDRIAITCG--NTHWSYRELDTRADRLAAGFQKLGIQQKDRVVVQLPNIKEFFEVIFALFRLGALPVFALPSHRSSEITYFCEFAEAAAYIIPDAYSGFDYRSLARQVQSKLPTLKNIIVAG----E--AEEFLPLEDLHT----EP-VKLPEVKSSDVAFLQLSGGSTGLSKLIPRTHDDYIYSLKRSVEVCWLDHSTVYLAALPMAHNYPLSSPGVLGVLYAGGRVVLSPSPSPDDAFPLIEREKVTITALVPPLAMVWMDAASSRRDDLSSLQVLQVGGAKFSAEAARRVKAVFG-CTLQQVFGMAEGLVNYTRLDDPEEIIVNTQGK------PMSPYDESRVWDD-----------HDRDVKPGETGHLLT--RGPYTIRGYYKAEE--HNAASF------TEDGFYRTGDIVRLTRDGYIVVEGRAKDQINRGGEKVAAEEVENHLLAHPAVHDAAMVSMPDQF-LGERSCVFIIPRDEAPKAAELKAFLRERGLAAYKIPDRVEFVESFPQTGVGKVSKKALREAISEKLLAG------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1MDB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -317056 for 4306 contacts (-73.6/contact) +
2D Compatibility (PS) -52606 + (NN) -18655 + (LL) 10800
1D Compatibility (HY) -17200 + (ID) 4650
Total energy: -399367.0 ( -92.75 by residue)
QMean score : 0.382
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