Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MASDFGPRIADLVEVAATRLPEAPALVVTADRIAISHRDLARLVDELAGQLTRSGLLPGDRVALRMGSNAEFVVALLAASRADLVVVPLDPALPITEQRVRSQAAGARVVLIDADGPHDRAEPTTRWWPLT-VNVGG-DSGPSGGTLSVHLDAATEPNPATSTPEGLRPDDAMIMFTGGTTGLPKMVPWTHANIASSVRAIITGYRLSPRDATVAVMPLYHGHGLIA-SLLATLASGGAVSLPARGRFSAHTFWDDIKAVGATWYTAVPTIHQILLERSATEPSGRKPAALRFIRSCSAPLTAQAALALQTEFAAPVVCAFGMTEATHQVTTTQIEGIDQTETPVVSTGLVGRSTG-A-QIRIVGSDGLPLPAGAVGEIWLRGTTVVRGYLGDPTITAANF-TDGWLRTGDLGSLSAAGDLSIRGRIKELINRGGEKISPERVEGVLASHPNVMEAAVFGVPHQLYGEAVAAVIVPRESAPPTREELVQFCRER-LAAFEIPASFQEASGLPHTAKGSLDRRAVAERFGHSV |
| 1MDB Chain:A ((25-532)) | ------ETFGDLLRDRAAKYGDRIAITC--GNTHWSYRELDTRADRLAAGFQKLGIQQKDRVVVQLPNIKEFFEVIFALFRLGALPVFALPSHRSSEITYFCEFAEAAAYIIPDAYSGFDYRSLARQVQSKLPTLKNIIVAGEAEEFL-PLED-LHTE-PVKLPEVKSSDVAFLQLSGGSTGLSKLIPRTHDDYIYSLKRSVEVCWLDHSTVYLAALPMAHNYPLSSPGVLGVLYAGGRVVLSP--SPSPDDAFPLIEREKVTITALVPPLAMVWMDAASSR--RDDLSSLQVLQVGGAKFSAEAARRVKAVFGCTLQQVFGMAEGLVNYTRLDD-------PEEIIVNTQGKPMSPYDESRVWDDHDRDVKPGETGHLLTRGPYTIRGYYKAEEHNAASFTEDGFYRTGDIVRLTRDGYIVVEGRAKDQINRGGEKVAAEEVENHLLAHPAVHDAAMVSMPDQFLGERSCVFIIPRDEA-PKAAELKAFLRERGLAAYKIPDRVEFVESFPQTGVGKVSKKALREAISEK- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1MDB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -263623 for 4436 contacts (-59.4/contact) +
2D Compatibility (PS) -54779 + (NN) -28596 + (LL) 748
1D Compatibility (HY) -23600 + (ID) 6550
Total energy: -376400.0 ( -84.85 by residue)
QMean score : 0.463
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