Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VLKFEHVTKTYKGGKKAVN-DLTLNIDKGEFVCFIGPSGCGKTTTMKMINRLIEPTEGKIFINDKDIMAEDPVKLRRSIGYVIQQIGLMPHMTIRENIVLVPKLLKWSEEKKQERAKELIKLVDLPEEFLDRYPYELSGGQQQRIGVLRALAAEQNLILMDEPFGALDPITRDSLQEEFKNLQKELGKTIIFVTHDMDEAIKLADRIVIMKDGEIVQFDTPDEILRNPANSFVEDFIGKDRLIEAKPDVTQVAQIMNTNPVSITADKSLQAAITVMKEKRVDTLLVVDEGNVLKGFIDVEQIDLNRRTATSVMDIIEKNVFYVYEDTLLRDTVQRILKRGYKYIPVVDKDKRLVGIVTRASLVDIVYDSIWGTLEDATENQEEQADSKTTEPEMKQEG |
3PUZ Chain:B ((4-278)) | -VQLQNVTKAW--GEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAE--RGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQL-AHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPK--------------MNFLPVKVTATAIDQVQVELPMPNRQQVWLPVESRDVQVG------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PUZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167301 for 2038 contacts (-82.1/contact) +
2D Compatibility (PS) -29675 + (NN) -7138 + (LL) 9872
1D Compatibility (HY) -24800 + (ID) 5350
Total energy: -224392.0 ( -110.10 by residue)
QMean score : 0.483
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