Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSPDTFLKGFAEFFLMGFSNSWDIQIVHAALFFLVYLAAVIGNLLIIILTTLDVHLQTPMYFFLRNLSFLDFCYISVTIPKSIVSSLTHDTSISFFGCALQAFFFMDLATTEVAILTVMSYDRYMAICRPLHYEVIINQGVCLRMMAMSWLSGVICGFMHVIA--TFSLPFCGRNRIRQFFCNIPQLLSLLDPKVITIEIGVMVFGT--SLVIISFVVITLSYMYIFSVIMR---------IPSKEGRS---KTFSTCIPHLVVVTLFM-------ISGSIAYVKPISNSPPVLDVFLSAFYTVVPPTLNPVIYSLRNRDMKAALRRQCGP |
3PWH Chain:A ((20-301)) | --------------------------------------AILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIPFAI--TISTGFCAACHGCLFIACFVLVLAQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQP--------G--CGEGQVACLFED---VVPMNYMVYFNFFACVLVPLLLMLGVYLRIFAAARRQLKQMESQPLPGERARSTLQKEVHAAKSAAIIAGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLAHTNSVVNPFIYAYRIREFRQTFRKIIRS |
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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) -225063 for 1861 contacts (-120.9/contact) +
2D Compatibility (PS) -24826 + (NN) -447 + (LL) 4748
1D Compatibility (HY) -24800 + (ID) 2950
Total energy: -273338.0 ( -146.88 by residue)
QMean score : 0.310
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