Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTVKTEAAKGTLTYSRMRGMVAILIAFMKQRRMGLNDFIQKIANNSYACKHPEVQSILKISQPQEPELMNANPSPPPSPSQQINLGPSSNPHAKPSDFHFLKVIGKGSFGKVLLARHKAEEVFYAVKVLQKKAILKKKEEKHIMSERNVLLKNVKHPFLVGLHFSFQTADKLYFVLDYINGGELFYHLQR-ERCFLEPRARFYAAEIASALGYLHSLNIVYRDLKPENILLDSQGHIVLTDFGLCKENIEHNSTTST-FCGTPEYLAPEVLH-----KQPYDRTVDWWCLGAVLYEMLYGLPPFYSRNTAEMYDNILNKP--LQLK---PNITNSARHLLEGLLQKDRTKRLGAKDDFMEIKSHVFFSLINWDDLINKKITPPFNPNVSGPNDLRHFDPEFTEEPVPNSIGKSPDSVLVTASVKEAAEAFLGFSYAPPTDSFL |
| 4AW2 Chain:A ((71-407)) | --------------------------------------------------------------------------------------------LHREDFEILKVIGRGAFGEVAVVKLKNADKVFAMKILNKWEMLKRAETACFREERDVLV-NGDSKWITTLHYAFQDDNNLYLVMDYYVGGDLLTLLSKFEDRLPEEMARFYLAEMVIAIDSVHQLHYVHRDIKPDNILMDMNGHIRLADFGSCLKLMEDGTVQSSVAVGTPDYISPEILQAMEGGKGRYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHKERFQFPTQVTDVSENAKDLIRRLIC-SREHRLG-QNGIEDFKKHPFFSGIDWDNI--RNCEAPYIPEVSSPTDTSNFDVD-----------------------SGHHLPFVGFTYTSSC---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AW2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -192141 for 2488 contacts (-77.2/contact) +
2D Compatibility (PS) -33107 + (NN) -17809 + (LL) 6720
1D Compatibility (HY) -30400 + (ID) 6100
Total energy: -272837.0 ( -109.66 by residue)
QMean score : 0.392
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