Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDILRKGNKDLIKDINRYTVLNLIREKGEITRTEIAKKCDFGMSTLTYILDDLQQEGIILEGAETSSTGGRRAKLVRFNKDYGFVVSVKVEEEQLLFALTDLNAEIIENTSIPFSSEKKPEEAIELIAKNVKKMCGNRDMNHLLGVGIAISGLVNRKKGTVIRSTML-GWENVALEAMLHAHFPDIPVYVDKNINCYTLAELWLGEGKQSNNFATVSVGAGLGLSVVINRQIYYGAQGGAGEFGHTTIQPGGYKCHCGQKGCLEMYASEFYFRNRGEELKEAYPTSELNDFHFDKVAKSARAGDEMATELMGKMGEYLGYGIRNIINTFNPEKVIIVGEGLHHRDLFLTKIDEIASQNFFS--GAGFETEITTTSLEDPAWLQGAALLVIHQLFQVPIYEEEQTLLR |
2GUP Chain:A ((4-290)) | ----------------------------------------------------------------------------------MTIATIDIGGTGIKFASLTPDGKILDKTSISTPE--N----LEDLLAWLDQRL---SEQDYSGIAMSVPGAVNQETGVIDGFSAVPYIHGFSWYEALS-SY-QLPVHLENDANCVGLSELLAHP--ELENAACVVIGTGIGGAMIINGRLHRGRHGLGGEFGYMTTLAP-----AEKLNNWSQLASTGNMVRYVIEKSGH------TDWDGRKIYQEAAAGNILCQEAIERMNRNLAQGLLNIQYLIDPGVISLGGSISQN-PDFIQGVKKAVEDFVDAYEEYTVAPVIQACTYHADANLYGALVNWLQEEK------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2GUP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -206469 for 2373 contacts (-87.0/contact) +
2D Compatibility (PS) -30302 + (NN) -9105 + (LL) 7516
1D Compatibility (HY) -8800 + (ID) 2850
Total energy: -250010.0 ( -105.36 by residue)
QMean score : 0.463
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