Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQNETASHGINFDALGRDRQSLDLASESVELEVPGLNLFYGAKQALF---DVRMNIPKQRVTAFIGPSGCGKSTLLRCF-------NRMNDLVDGCRVEGEIRLDG-------------HNIFAKGVDVAELRRRVGMVFQKPNPFPK-SIYENVVYGLRIQGINKKRVLDE---AVEWALKGAALWEEV--------KDRLHESALGLSGGQQQRLVIARTIAV-EPEVLLLDEPCSALDPISTLKIEELIYELKSK-FTIVIVTHNMQQAARVSDYTAFMYM-GKLIEFGDTDTLFTNPAK-KQTEDYITGRYG--- |
1B0U Chain:A ((5-261)) | ----------------------------NKLHVIDLHKRYGG---HEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPS------------EGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRT-R-LTMVFQHFNLWSHMTVLENVMEAPIQVL---------GLSKHDARERALKYLAKVGIDERAQG-----KYPVHLSGGQQQRVSIARALAME-PDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLH-QGKIEEEGDPEQVFGNP-QSPRLQQFLKGSLKKLE |
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General information:
TITO was launched using:
| RESULT:
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Template: 1B0U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129607 for 1650 contacts (-78.5/contact) +
2D Compatibility (PS) -24036 + (NN) -11626 + (LL) 3984
1D Compatibility (HY) -12800 + (ID) 3800
Total energy: -177885.0 ( -107.81 by residue)
QMean score : 0.425
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