Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGPGEALLAGLLVMVLAVALLSNALVLLCCAYSAELRTRASGVLLVNLSLGHLLLAALDMPFTLLGVMRGRTPSAPGACQVIGFLDTFLASNAALSVAALSADQWLAVGFPLRYAGRLRPRYAGLLLGCAWGQSLAFSGAALGCSWLGY--SSAFASCSLRLPPEPERPRFAAFTATLHAVGFVLPLAVLCLTSLQ-VHRVARRHCQRMDTVTMKALALLADLHPSVRQRCLIQQKRRRHRATRKIGIAIATFLICFAP------YVMTRLAELVP--FVTVNAQWGILSKCLTYSKAVADPFTYSLLRRPFRQVLAGMVHRLLKRTPRPASTHDSSLDVAGMVHQLLKRTPRPASTHNGSVDTENDSCLQQTH |
4BEY Chain:A ((41-318)) | -----SMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILL-NLAVADLFMVFGDFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMS-NFRFGENHAIMGVAFTWVMALACAAPPL-VGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESAT---------------------TQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSCFGPIFMTIPA---FFAK----TSAVYNPVIYIMMNKQFRNCMVTTLCCGKN------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BEY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -165858 for 2060 contacts (-80.5/contact) +
2D Compatibility (PS) -27102 + (NN) -10104 + (LL) 5312
1D Compatibility (HY) -3200 + (ID) 950
Total energy: -201902.0 ( -98.01 by residue)
QMean score : 0.207
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