Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSPENQSSVSEFLLLGLPIRPEQQAVFFALFLGMYLTTVLGNLLIMLLIQLDSHLHTPMYFFLSHLALTDISFSSVTVPKMLMNMQTQHLAVFYKGCISQTYFFIFFADLDSFLITSMAYDRYVAICHPLHYATIMTQSQCVMLVAGSWVIACACALLHTLLLAQLSFCADHIIPHYFCDLGALLKLSCSDTSLNQLAIFTAALTAIMLPFLCILVSY--------------------GHIGVTILQ-----IPSTKGICKALSTCGSHLSVVTIYYRTIIGLYFLPPSSNTNDKNIIASVIYTAVTPMLNPFIYSLRNKDIKGALRKLLSRSGAVAHACNLNTLGG |
3REY Chain:A ((7-304)) | ------------------------SVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADILVGVLAIP-FAITISTGFCAACH-GCLFIACFVLVLAQSSIFSLLAIAIDRYIAIAIPLRYNGLVTGTRAAGIIAICWVLSFAIGLTPMLGWNNCGQP--------GCGEGQVACLFEDVVPMNYMVYFN-FFACVLVPLLLMLGVYLRIFAAARRQLKQMESQPLPGERARSTLQKEVHAAKSAAIIAGLFALCWLPLHIINCF------TFFCPDCSHAPLWLMYLAIVLAHTNSVVNPFIYAYRIREFRQTFRKIIRS--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3REY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -260785 for 2055 contacts (-126.9/contact) +
2D Compatibility (PS) -26933 + (NN) -2523 + (LL) 3392
1D Compatibility (HY) -29200 + (ID) 3250
Total energy: -319299.0 ( -155.38 by residue)
QMean score : 0.233
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