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 ((72-407)) | ---------------------------------------------------------------------------------------------HREDFEILKVIGRGAFGEVAVVKLKNADKVFAMKILNKWEMLKRAETACFREERDVLV-NGDSKWITTLHYAFQDDNNLYLVMDYYVGGDLLTLLSKFEDRLPEEMARFYLAEMVIAIDSVHQLHYVHRDIKPDNILMDMNGHIRLADFGSCLKLMEDGTVQSSVAVGTPDYISPEILQAMEGGKGRYGPECDWWSLGVCMYEMLYGETPFYAESLVETYGKIMNHKERFQFPTQVTDVSENAKDLIRRLIC-SREHRLG-QNGIEDFKKHPFFSGIDWDNI--RNCEAPYIPEVSSPTDTSNFDVD-----------------------SGHHLPFVGFTYTSSCVLSD |
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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) -190216 for 2472 contacts (-76.9/contact) +
2D Compatibility (PS) -33028 + (NN) -17791 + (LL) 6660
1D Compatibility (HY) -30400 + (ID) 6100
Total energy: -270875.0 ( -109.58 by residue)
QMean score : 0.548
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