Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ---------MAIWAAGDTAGVATVVRTLRSAPRPPGAAMVVAPDGSVSGSVSGGCVEGAVYELAAEVAQTGIPRLEHYGVSDDTAFAVGLTCGGIIDVFVEPVSRATFPELGELADDIGAQRPVAIATVIAHPDERRVGRRLVIRPDTKSPVTGSLGSARADAAVIDDARGLLAVGRSEILEYGPDGQRRGEGMEVFVSSHAPRPRMLVFGAIDFAAALARQGSFLGYRVTVCDARAVFATPARFPTADDVVVAWPHRYLAAQAEAGGIDERTVICVLTHDPKFDVPVLEVALRL-GVGYVGAMGSRKTHDDRMDRLRAAGLTDAELSRLSSPIGLDLGARTPEETAVSIAADIIARRWGGGGRPLADIAGRIHHDAQVAGEFKDYLTRH |
2WE8 Chain:A ((4-360)) | GVRDVLGTLSAVWESGGTAGVGTVVRTFRSAPRPAGASMVVAPDGTVSGSVSGGCVEGAVYDLATEVVATGTPVLQRYG------------VGGILDVFVEPVSQKTFPQLGAIRDDIEAQRPVAVATVITHPDAQWIGRRLVVHTD---EVAGSLGSSRADAAVTDDARGLLAAGRSEVLTYGPDGQRRGEGMEVFVSSYAPRPRMLVFGAIDFAAAVAQQGAFLGYRVTVCDARPVFATTARFPTADEVVVDWPHRYLAAQAEAGAIDARTVVCVLTHDPKFDVPLLEVALRLPDIAYIGAMGSRRTHEDRLARLREAGLTEEELARLSSPIGLDLGGRTPEETAVSIAAEIIAKRWG------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WE8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -239194 for 2809 contacts (-85.2/contact) +
2D Compatibility (PS) -37759 + (NN) -27074 + (LL) 2116
1D Compatibility (HY) -39200 + (ID) 13250
Total energy: -354361.0 ( -126.15 by residue)
QMean score : 0.690
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