Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MGSLYSEYLNPNKVQEHYNYTKETLETQETTSRQVASAFIVILCCAIVVENLLVLIAVARNSKFHSAMYLFLGNLAASDLLAGVAFV--ANTLLSGSVTLRLTPVQWFAREGSAFITL------SASVFSLLAIAIERHVAIA-KVKLYGSDKSCRMLLLIGASWLISLVLGGLPILGWNCLG--HLEAC---------STVLPLYAK---HYVLCVVTIFSIILLAIVALYVRIYCVVRSSHADMAAP------------QTLALLKTVTIVLGVFIVCWLPAFSILLLDYACPVHSCPILYKAHYFFAVSTLNSLLNPVIYTWRSRDLR---REVLRPLQCWRPGVGVQGRRRGGTPGHHLLPLRSSSSLERGMHMPTSPTFLEGNTVV |
3PWH Chain:A ((21-304)) | -----------------------------------------------ILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIPFAITISTGFCA---------ACHGCLFIACFVLVLAQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQP---GCGEGQVACLFEDVVPMNYMVYFNFFACVL----VPLLLMLGVYLRIFAAARRQLKQMESQPLPGERARSTLQKEVHAAKSAAIIAGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLAHTNSVVNPFIYAYRIREFRQTFRKIIRS--------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -211684 for 1695 contacts (-124.9/contact) +
2D Compatibility (PS) -24710 + (NN) -11084 + (LL) 6884
1D Compatibility (HY) -24400 + (ID) 4150
Total energy: -269144.0 ( -158.79 by residue)
QMean score : 0.245
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