Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKWLKQLQSLHTKLVIVYVLLIIIGMQIIGLYFTNNLEKELLDNFKKNITQYAKQLEISIEKVYDEKGSVNAQKDIQNLLSEYANRQEIGEIRFIDKDQIIIATTKQSNRSLINQKANDSSVQKALSLGQSNDHLILKDYGGGKDRVWVYNIPVKVDKKVIGNIYIESKINDVYNQLNNINQIFIVGTAISLLITVILGFFIARTITKPITDMRNQTVEMSRGNYTQRVKIYGNDEIGELALAFNNLSKRVQEAQANTESEKRRLDSVITHMSDGIIATDRRGRIRIVNDMALKMLGMAKEDIIGYYMLSVLSLEDEFKLEEIQENNDSFLLDLNEE--EGLIARVNFSTIVQETGFVTGYIAVLHDVTEQQQVERERREFVANVSHELRTPLTSMNSYIEALEEGAWKDEELAPQFLSVTREETERMIRLVNDLLQLSKMDNESDQINKEIIDFNMFINKIINRH-EMSAKDTT-FIRDIPKKTIFTEFDPDKMTQVFDNVITNAMKYSRGDKRVEFHVKQNPLYNRMTIRIKDNGIGIPINKVDKIFDRFYRVDKARTRKMGGTGLGLAISKEIVEAHNGRIWANSVEGQGTSIFITLPCEVIEDGDWDE |
4I5S Chain:A ((54-432)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GHYTDKLKVEDNSDLSELVNNVNDLSEVFRLTHENLAQEKNRLTSILSYMTDGVLATDRSGKITVINDMAQKQLNVTREQALECNILDILD-DDSYTYNDLITKTPEIVLTRRDEYDEFITLRIRFALNRRESGFISGLIAVLHDATEQEKEERERRLFVSNVSHELRTPLTSVKSYLEALDDGALT-ESVAPSFIKVSLDETNRMMRMITDLLSLSR-----SHLDVELTNFTAFMNYILDRFDQIQSQQSTEIIRDYPDKSVWIEIDTDKMTQVIDNILNNAIKYSPDGGKVTITMQTTD--TQLILSISDQGLGIPKKDLPLIFDRFYRVDKAR-------GLGLAIAKEIVKQHKGFIWANSEEGEGSTFTIVLP----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4I5S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -87648 for 2534 contacts (-34.6/contact) +
2D Compatibility (PS) -37816 + (NN) -6942 + (LL) 19040
1D Compatibility (HY) -36000 + (ID) 8150
Total energy: -157516.0 ( -62.16 by residue)
QMean score : 0.443
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