Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDELLLDLFHKLTSGRQLAAGNGLCGISHKEQEVWKPGHNILVKMRKEDKSLVWLIHSTLARYTQVTNFLGTSRSSVTRCKPGANCPSSHSGISRQLSPLSVTEDSSAPILELQNQGSSGVCGHRVERQNRSADDGTQTHSENSSQENRIKARCLSCTSMVLKGIWGLLIILSVSSSWVGTTQIVKITYKNFYCPFFMTWFSTNWNIMFFPVYYS-GHLATAQEKQSPMKKFRECSRIFGEDGLTLKLFLKRTAPFSILWTLTNYLYLLALKKLTATDVSALFCCNKAFVFLLSWIVLKDRFMGVRIVAAIMAITGIVMMAYADNFHADSIIGVAFAVGSASTSALYKVLFKMFLGSANFGEAAHFVSTLGFFNLIFISFTPVILYFTKVEHWSSFAALPWGCLCGMAGLWLAFNILVNVGVVLTYPILI------SIGTVLSVPGNAAVDLLKQEVIFNVVRLAATIIICIGFLLMLLPEEWDEITLRFINSLKEKKSEEHVDDVTDPSIHLRGRGRANGTVSIPLA |
4B3X Chain:A ((1-363)) | MAK---------VRIYQLAKELGM-----ETQELLELLDQMGVAYKSHASTL------EEKDAEAVRELVKEQRGLQEKLAEEERRKSL---------------PRRPPVVVIM-----GHVDHGKTTLLDYLRKSRIAEKEGGGITQHVGAFEVKTPQ-------GTVVFIDTPGHEAFTTIRQRGAKVA--------------DIAVIVIAADDGIMPQTEEAIAHAKA-------------------------------AGAKLIFAINKIDLPQAD------------------------PEKVKRQLMERGFV----PEEYGGDAIVIPI----SAKTGQGVQDLLEMILLLAELED---YRADPN-------AEPRGVILESKLDKQAG----------------IIANMLVQEGTFRVGDYVVAGEAYGRIRAMMDADGNQ-----RKEAGPG------SAVQVLGF--QELPHAGD--VVEWVPDLEAAKEIAEERKEERKAREEEEKARRPRTMAELLR |
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General information:
TITO was launched using:
| RESULT:
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Template: 4B3X.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -174552 for 2659 contacts (-65.6/contact) +
2D Compatibility (PS) -37697 + (NN) -400 + (LL) 14776
1D Compatibility (HY) -7200 + (ID) 2850
Total energy: -207923.0 ( -78.20 by residue)
QMean score : 0.180
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