Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MHDIEYIRQNSEEFEKAMESRGMK-EFSAEEILKVDHKKRLLTTKLQDLNRQRNEITKKIKELKMSKSPCEKQIKSSKNITNEIEAISLKEQMEKDKLVNILSNLPNIPVQGVPIGAGENSNLEVRRYREKRQFDFVPKSHYELGERLGLMDFEQAAKISGSRFAILKGQLAKLGRALINFMLEMHVNEFGYTEVYHPVLVKNEAMYNVGQLPKFSDDSYLTTD-ELRLIPTGEVVLTNSVADKIVEEKKLPIRFTAYSECFRKEAGSAGQSTRGMIRQHQFGKVELVSITTEDQSNDELERMTGVAEEILKRLELPYRVILLCSGDMGFAAQKTYDIEVWLPEQNRYREISSCSNCGNFQARRMNAKYSLEANKKVKKYVHTLNGSALAIGRTIIAVMENYQNPDGSITIPNVLQKYISNGTVISK |
2DQ3 Chain:A ((1-423)) | MIDINLIREKPDYVKERLATRDKELVSLVDKVLELDKRRREIIKRLEALRSERNKLSKEIGKLKREGKDTTEIQNRVKELKEEIDRLEEELRKVEEELKNTLLWIPNLPHPSVPVGEDEKDNVEVRRWGEPRKFDFEPKPHWEIGERLGILDFKRGAKLSGSRFTVIAGWGARLERALINFMLDLHT-KKGYKEICPPHLVKPEILIGTGQLPKFEEDLYKCERDNLYLIPTAEVPLTNLYREEILKEENLPIYLTAYTPCYRREAGAYGKDIRGIIRQHQFDKVELVKIVHPDTSYDELEKLVKDAEEVLQLLGLPYRVVELCTGDLGFSAAKTYDIEVWFPSQNKYREISSCSNCEDFQARRMNTRFKDSK-TGKNRFVHTLNGSGLAVGRTLAAILENYQQEDGSVVVPEVLRDYVGTDVIRPE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2DQ3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -117208 for 3425 contacts (-34.2/contact) +
2D Compatibility (PS) -45337 + (NN) -20197 + (LL) -160
1D Compatibility (HY) -37200 + (ID) 9950
Total energy: -230052.0 ( -67.17 by residue)
QMean score : 0.442
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