Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKNEMLALILAGGQGTRLGKLTQSIAKPAVQFG-GRYRIIDFALSNCANSGINNVGVITQYQPLELNTHIGNGSSWGLDGIDSGVTVLQPYSATEGNRWFQGTSHAIYQNIDYIDRINPEYVLILSGDHIYKMDYDDMLQTHKDNLASLTVAVLDVPLKEASRFGIMNTDSNDRIVEFEEKPEHP---------------------KSTKASMGIYIFDWKRLRTVLIDGEKNGIDMSDFGKNVIPAYLESGERVYTYNFDGYWKDVGTIESLWEANMEYIGEDNK-LHSRDRSWKIYSKN-LIAPPNFMTEDANVKDSLVVDGCFVAGN--VEHSILSTNVQVKPNAIIKDSFVMSG-------------------ATIGEGAKINRAIIGEDAVIGDGVVIDGSKEVEVIGYKEVVGVPNED |
1YP2 Chain:A ((17-416)) | ASRSVLGIIL------RLYPLTKKRAKPAVPLGANYR-LIDIPVSNCLNSNISKIYVLTQFNSASLNRHLSRAYA------EGFVEVLAAQQSPENPDWFQGTADAVRQYLWLFEEHTVLEYLILAGDHLYRMDYEKFIQAHRETDADITVAALPMDEKRATAFGLMKIDEEGRIIEFAEKPQGEQLQAMKVDTTILGLDDKRAKEMPFIASMGIYVISKDVMLNLLRDKFP---GANDFGSEVIPGATSLGMRVQAYLYDGYWEDIGTIEAFYNANLGITKKPVPDFSFYDRSAPIYTQPRYLPPSKMLD--ADVTDSVIGEGCVIK-NCKIHHSVVGLRSCISEGAIIEDSLLMGADYYETDADRKLLAAKGSVPIGIGKNCHIKRAIIDKNARIGDNVKIINKDNVQEAARETDGYFIKSG |
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General information:
TITO was launched using:
| RESULT:
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Template: 1YP2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -261249 for 2787 contacts (-93.7/contact) +
2D Compatibility (PS) -37084 + (NN) -12753 + (LL) -176
1D Compatibility (HY) -31200 + (ID) 6550
Total energy: -349012.0 ( -125.23 by residue)
QMean score : 0.512
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