Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRSVTCSATLVLPVIEPTPADRRPRHLLLGSAGHVSGRLDTGRFVQTHPAKDVSVPIATINPATGETVKTFTAATDDEVDAAIARAHRRFADYRQTSFAQRARWANATADLLEAEADQAAAMMTLEMGKTLAAAKAEALKCAKGFRYYAENAEALLADEPADAAKVGASAAYGRYQPLGVILAVMPWNFPLWQAVRFAAPALMAGNVGLLKHASNVPQCALYLADVIARGGFPDGCFQTLLVSSGAVEAILRDPRVAAATLTGSEPAGQSVGAIAGNEIKPTVLELGGSDPFIVMPSADLDAAVSTAVTGRVQNNGQSCIAAKRFIVHADIYDDFVDKFVARMAALRVGDPTDPDTDVGPLATEQGRNEVAKQVEDAAAAGAVIRCGGKRLDRPGWFYPPTVITDISKDMALYTEEVFGPVASVFRAANIDEAVEIANATTFGLGSNAWTRDETEQRRFIDDIVAGQVFINGMTVSYPELPFGGVKRSGYGRELSAHGIREFCNIKTVWIA |
4ITB Chain:B ((5-455)) | --------------------------------------------------------IATINPTTGEICQRFKALTPAEIDAKLAKAQEAFQAYRRTSFSQRRQWLENAAAILERDTSKFAEIMTTEMGKTHQSAIAEAEKSALVCRYYAEHGEQFLANE---YTETQATESYVCYQPLGILLAVMPWNFPFWQVFRFAAPALMAGNVAVLKHASNVPQCALAVEAILEAAGFPEGVFQTLLIGASQVEQVIKDPRVKAATLTGSEPAGASLASLAGQEIKPTLLELGGSDPFVVFPSADLDEAVEVGTVARTMNNGQSCIAAKRFILHEAIAAEFLEKLHLKFASLKIGDPMAPETDIGPLATEGILQDISRQVDQAVAAGAKILLGGRPLDRAGYFYPPTILTEIPPGAKILQEELFAPVAMVFTVKDLDQAIALANDIPFGLGASAWTNDPAEQQRFIQELDAGAVFINGMVKSDPRLPFGGTKRSGYGRELGLAGIRTFVNAKTVWL- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4ITB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -215358 for 4122 contacts (-52.2/contact) +
2D Compatibility (PS) -49439 + (NN) -26572 + (LL) 3032
1D Compatibility (HY) -42400 + (ID) 12850
Total energy: -343587.0 ( -83.35 by residue)
QMean score : 0.594
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