Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAYQSEYALENEMMNQLEQLGYERVTIRDNKQLLDNFRTILNERHADKLEGNPLTDKEFQRLLTMIDGKSIFESARILRDKLPLRRDDESEIYLSFLDKKSWCKNKFQVTNQVSVEDTYKARYDVTILINGLPLVQVELKRRGIDINEAFNQVKRYRKQNYTGLFRYIQMFIISNGVETRYFSNNDSELLKSHMFYWSDKQNNRINTLQSFAESFMRPCQLAKMISRYMIINETDRILMAMRPYQVYAVEALIQQATETGNNGYVWHTTGSGKTLTSFKASQILSQQDDIKKVIFLVDRKDLDSQTEEEFNKF--AKGAVDKTFNTSQLVRQLNDKSLPLIVTTIQKMAKAIQGNAHLLEQYKTNKVVFIIDECHRSQFGDMHRLVKQHFKNAQYFGFTGTPRFPENSSQDGRTTADIFGRCLHTYLIRDAIHDGNVLGFSVDYINTFKNKALKAEDNSMVEAIDTEEVWLADKRVELVTRHIINNHDKYTRNRQYSSIFTVQSIHALIKYYETFKRLNKKLEQPLTIAGIFTFKPNEDDRDGEVPYHSREKLEIMISDYNKKFETNF------------STDTTNEYFNHISKNVKKGVKDSKIDILIVVNMFLTGFDSKVLNTLYVDKNLMYHDLIQAYSRTNRVEKESKPFGKIVNYRDLKKETDDALRVFSQTNDTDTILMRSYEEYKKEFMDAYRELKMIVPTPHMVDDIQDEEELKRFVEAYRLLAKIILRLKAFDEFEFTIDEIGMDEQENEDYKSKYLAVYDQVKRATAEKNKVSILNDIDFEIEMMRNDTINVNYIMNILRQIDLEDKAEQRRNQEQIRRILDHADDPTLRLKRDLIREFIDNVVPSLNKDDDIDQEYVNFESIKKEAEFKGFAGERSIDEQALKTISNDYQYSGVVNPHHLKKMIGDLPLKEKRKARKAIESFVAETTEKYGV |
2OCA Chain:A ((1-503)) | --------------------------------------------------------------------------------------------------------------------------MDIKVHFHDFSHVRIDCEESTFHELRDFFSFEADGYRFNPRFRYGNWDGRIRLLDYNRLLP----FGLVGQIKKFCDNFGYKAWIDPQINEKEELSRKDFDEWLSKLEIYSGNKRI-EPHWYQKDAVFEGLVN-----RRRILNLPTSAGRSLIQALLARYYLENYE-GKILIIVPTTALTTQMADDFVDYRLFSHAMIKKIGGGASKDDKYKNDAPVVVGTWQTVVKQ-------PKEWFSQFGMMMNDECHLATGKSISSIISGLNNCMFKFGLSGS---LRDGKANIMQYVGMFGEIFKPVTTSELKINSIFLRYPDEFTTKLKGKTYQEEIKIITGL-------------SKRNKWIAKLAIKLAQKDENAFVMFKH--------VSHGKAIFDLIKNEYDKVYYVSGEVDTETRNIMKTLAENGKGIIIVAS-YGVFSTGISVKNLHHVVLAHGVKSKIIVLQTIGRVLRKHGSKTIATVWDLIDDAGVKPKSANTKKKYVHLNYLLKHGIDRIQRYADEKFNYVMKTVNLL-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2OCA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -64843 for 3776 contacts (-17.2/contact) +
2D Compatibility (PS) -50549 + (NN) -4582 + (LL) 34544
1D Compatibility (HY) -11600 + (ID) 2850
Total energy: -99880.0 ( -26.45 by residue)
QMean score : 0.220
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