Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRNLSGGHVEEFVLVGFPTTPPLQLLLFVLFFAIYLLTLLENALIVFTIWLAPSLHRPMYFFLGHLSFLELWYINVTIPRLLAAFLTQDGRVSYVGCMTQLYFFIALACTECVLLAVMAYDRYLAICGPLLYPSLMPSSLATRLAAASWGSGFFSSMMKLLFISQLSY----------CGPNIINHFFCDISPLLNLTCSDKEQAELVDFLLALVMILLPLLAVVSSYTAIIAAILRIPTSRGRHKAFSTCAAHLAVVVIYYS--------STLFTYARPRAMYTFNHNKIISVLYTIIVPFFNPAIYCLRNKEVKEAFRKTVMGRCHYPRDVQD |
4UG2 Chain:A ((15-309)) | --------------------------------AIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSAAAADILVGVLAIPFAIA--ISTGFCAACHGCLFIACFVLVLTASSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKAHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQL------------ARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKII--RSHVLR---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UG2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -240454 for 2034 contacts (-118.2/contact) +
2D Compatibility (PS) -27506 + (NN) -15489 + (LL) 4360
1D Compatibility (HY) -22000 + (ID) 3300
Total energy: -304389.0 ( -149.65 by residue)
QMean score : 0.345
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