Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VDFVIEMLGIRKEFSGFVANDNITLQLKQGEIHALLGENGAGKSTLMNVLFGLYEPDGGEIRVRGTKENINSPNKANELGIGMVHQHFMLVDKFTVAENIILGKEPSKL-GVIEKKKAIEEIKEISDRYGLRVDPNAIVRD----ISIGMQQRVEILKTLYRGADILIFDEPTAVLTPQEIKELIQIMRSLIKEGKSIILITHKLKEIMDVCDRVTVIRRGKGMGTVNVPETTPQDLANLMVGREVVFTTEKIDANPGKDVLEVKDLVVKESRGVESVRGLNLTVRAGEIVGIAGVDGNGQSELISAIAGLSKVTSGSILLNGEHIENKKPRKITEAGLGHIPEDRHKHGLVLEMSLGENIALQTYYKKPISSKGFLNHKAMYDFARELIEEYDVRASSEYVAAKSLSGGNQQKAIIAREIHRNPDFLIAAQPTRGLDVGAIEFIHRRLIEQRDNGKAVLLMSFELDEIMNVSDRIAVIYEGKIVAIVDPKETTEQELGLMMAGSSKQEAEMGEKEHV |
2PMK Chain:A ((22-216)) | --------------------DNINLSIKQGEVIGIVGRSGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPNWLRR-QVGVVLQDNVLLNR-SIIDNISLANPGMSVEKVIYAAKLAGAHDFISE---LREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKICK-GRTVIIIAHRLSTVKN-ADRIIVMEKGK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PMK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -88003 for 1409 contacts (-62.5/contact) +
2D Compatibility (PS) -20210 + (NN) -4371 + (LL) 22552
1D Compatibility (HY) -15600 + (ID) 3200
Total energy: -108832.0 ( -77.24 by residue)
QMean score : 0.470
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