Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKTITTFENKKVLVLGLARSGEAAARLLAKLGAIVTVNDGKPFDENPTAQSLLEEGIKVVCGSHPLELLDEDFCYMIKNPGIPYNNPMVKKALEKQIPVLTEVELAYLVSESQLIGITGSNGKTTTTTMIAEVLNAGG----QRGLLAGNIGFPASEVVQAADDKDILVMELSSFQLMGV----KEFRPHIAVITNLMPTHLDYHGSFEDYVAAKWNIQNQMSSSDFLVLNFNQGISKELAKTTKA-TIVPFSTTEKVDGAYVQDKQLFYKGENIMLVDDIG-----VP--GSHNVENALATIAVAKLAGISNQVIRETLSNFGGVKHRLQSLGKVHGISFYNDS---KSTNILATQKALSGFDNTKVILIAG----GLDRGNEFDELIPDIT--GLKHMVVLGESASRVKRAAQKAGVTYSDALDVRDAVHKAYEVAQQGDVILLSPANASWDMYKNFEVRGDEFIDTFESLRGE |
4QDI Chain:A ((118-411)) | -------------------------------------------------------------------------------------------------------------AQLKVIALTGSSGKTTTKEMLGSILSRLAPTLITRGNLNNDLGVPMM-LLELRKEHQYAVMELGANHQGEIDYTSKIVQPHVAGILNIGTAHLGEFGGRDGICRAKSEIYRHILPQGVAIVPQQDDFTAEIREAAKSHQIMSFGEGGDV---FATEIELLPQSANFQLHTPQGSSFVRLPFAGEHNVQNATAAVAFALALGVSLEDIVKGLEQAQGAKGRLNFIQKAPHL-FIDDTYNANPTSMRAAAQVLLQQNGIKVMVMGDIGELGDSSWQEHHDLGRDLAELPLDHIVAVGQFASAALEGAGLHSTKLKAFQTQAEALPFLINLIQTHQPQSMSFLFKGSRFTHMETLMADLMEK-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4QDI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -119657 for 2100 contacts (-57.0/contact) +
2D Compatibility (PS) -28974 + (NN) -4228 + (LL) 8812
1D Compatibility (HY) -14000 + (ID) 3850
Total energy: -161897.0 ( -77.09 by residue)
QMean score : 0.451
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