Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MMKITISKV-LPDFETLVVGLFEDGELVSNGKVLQDKQIINSIKKFSHFNGGFGEFFSVTLSDGKNVIIVGLGKRDEWNENKELSVGGKIYCELGRLKIKQATVSI---------EGSAENIAYGAFLRSFKFDKYKTKKDEEITEVEEIMVLAKDEQLNDAEKSFEHLRQEGEGIFLARTFITEPPNVLYPESYADCIKSELTKF-GLEIEVLDKKQMEKKKMGALLGVAQGSSKEPKLVVIRWNGASKEQKPIAFVGKGITFDTGGVSLKPSRGMESMKYDMAGSAAVVGVMRTLAGRKARINAVGVVALAENAIDGNAQRPSDVVTSMSGQTIEVLNTDAEGRLVLADALWYTQDRFAPEFMIDLATLTGAIVVALGNNEYAGLFSNNDELANRLVEAGNEANEKLWRFPMNETYDKIIDSPIADVQNIAPTGSGGDSIMAAQFLQRFVNDTCWAHLDIAGTAWHEKGTDISPKGAVGFGVRLLNKLVEKYYETSD |
3PEI Chain:A ((1-482)) | MMKIVVNNQSTLAAELMIVAQENLQKLV--EQT----------LDRRIFKAKSGEVLPLLHG-DKIVILLGLGLRQDFIASEYDKIIAKAAEQLKKLAIKEISVDIDYAFENDNVKQFTLDTVRALISETYVFDQLKTEKENYS--LEQIELVYSG--DQDIEDSAKIGSAIACGQNYAKDLQNLPANICTTDYMLNEARELTSKYATFSLDYLDQDAMAELGMGCALAVGRGSYMSNYTVCMEYKGGNEGDAPIVLVGKGLVFDNG------------MKMDMGGVAAVMGTMKAIAMLNLPVNVVGVMGLAEN------YRPGDVLKSMKGITVEVSNTDAEGRLVLCDTLTYIG-KYKPKAVIDLATLTGAMIISLGD-AYSGMFANSDKLANSLEQAANASNDLIWRLPLHKPYLKKIESKVADMDNCGR-DRSAGSIVAALFLSKFTEDYEWAHLDIAGSAMGD-----ASCKASGRPVPLLVHYLISQAKENL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PEI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -254329 for 4041 contacts (-62.9/contact) +
2D Compatibility (PS) -47582 + (NN) -20711 + (LL) 1512
1D Compatibility (HY) -29200 + (ID) 7900
Total energy: -358210.0 ( -88.64 by residue)
QMean score : 0.540
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