Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDILRKGNKDLIKDINRYTVLNLIREKGEITRTEIAKKCDFGMSTLTYILDDLQQEGIILEGAETSSTGGRRAKLVRFNKDYGFVVSVKVEEEQLLFALTDLNAEIIENTSIPFSSEKKPEEAIELIAKNVKKMCGNRD----MNHLLGVGIAISGLVNRKKGTVIRSTMLGWENVALEAMLHAHFPDIPVYVDKNINCYTLAELWLGEGKQSNNFATVSVGAGLGLSVVINRQIYYGAQGGAGEFGHTTIQPGGYKCHCGQKGCLEMYASEFYFRNRGEELKEAYPTSELNDFHFDKVAKSARAGDEMATELMGKMGEYLGYGIRNIINTFNPEKVIIVGEGLHHRDLF--LTKIDEIASQNFFSGAGFETEITTTSLEDPAWLQGAALLVIHQLFQVPIYEEEQTLLR |
4IJA Chain:A ((25-388)) | ---------------NEKRVLREIYNHHNISRTQISKNLEINKATISSILNKLKYKSLVNEVG-----GGRKPILLKVNHLYGYFISL-----DLTYSSVEVMYNYFDGNVIKHESYDLPDEKVSSILSIIKKHIDIQEKLDTYNGLLGVSVSIHGVVDNEQHV----TY----GISIAKKI-KEITNVPVVVENEANLSALYERNFNHNLSYNNLIALSIHKGIGAGLIINNQLYRGANGEAGEIGKTLVSKVSDNVEIFHK-IEDIFSQEALLHNLSNQLNEKMTLSKLIQFYNEK--------NPVVVEEMEQFINKIAVLIHNLNTQFNPNAIYI------NCPLFNEMPEILEAIKNQFKQYSRNEIQIKLTSNVKFATLLGGTLAIIQKVLQI----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4IJA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -212004 for 2705 contacts (-78.4/contact) +
2D Compatibility (PS) -37052 + (NN) -12835 + (LL) 4160
1D Compatibility (HY) -26800 + (ID) 4700
Total energy: -289231.0 ( -106.92 by residue)
QMean score : 0.391
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