Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNQSETKALEALQNGSDIRGIAIATEKYQITLTDERVEKIAYGFAKWLKEEKKVEGQAKVAIGHDSRLSAERLKAALVKGLTFAGIDVVDVGLATTPAMFMATQYEDYDCDAGIMITASHLPFMYNGLKLFTKSGGAEHEDIDYIVAHADKSFIENGLN------LGKVTKQDLLSTYAADLTDKIRAGITDAADKMKPLQGSHIIVDAGNGAGGFFAEKVLAELGADISESQFLDPDGNFPNHIPNPDNEEAMASLKKAVLASGADLGVIFDTDVDRAAIMDKNGESLNRNPLIAVISSIILEEKPGTTIVTDSTTSGHLQAFIEAKGGKQHRFKRGYRNVINEALRLNANGTPSEIAIEVSGHAALKENYFLDDGAYLIAKILMTYATLRKNGQDLPDLIADLKEPAESEEIRLSITANDFKAYGKEALADFLTFVEADPDMELEPVNQEGIRVNT----KGALGEGWFLLRMSLHEPVMPMNLESDEAGGIRKVKDRLAGFFATKADLKM |
1WQA Chain:D ((10-427)) | -----------------VRGIA--NEK----ITPEFAMKIGMAFGTLLKREGR--KKPLVVVGRDTRVSGEMLKEALISGLLSVGCDVIDVGIAPTPAVQWATKH--FNADGGAVITASHNPPEYNGIKLLEPNGMGLKKEREAIV---EELFFKEDFDRAKWYEIGEVRREDIIKPYIEAIKSKVD---VEAIKKRKPF----VVVDTSNGAGSLTLPYLLRELGCKVITVN-AQPDGYFPARNPEP-NEENLKEFMEIVKALGADFGVAQDGDADRAVFIDENGRFIQGDKTFALVADAVLKEKGGGLLVTTVATSNLLDDIAKKHGAKVMRTKVG-DLIVARALYEN-NGT---IGGEENGGVIFPEHVLGRDGAMTVAKVVEIFA---KSGKKFSELIDELPKYYQIKTKR-HVEGDRHAIVNKVA----------------EMARERGYTVDTTDGAKIIFEDGWVLVRASGTEPII------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1WQA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157594 for 3707 contacts (-42.5/contact) +
2D Compatibility (PS) -44550 + (NN) -24090 + (LL) 6568
1D Compatibility (HY) -24400 + (ID) 7500
Total energy: -251566.0 ( -67.86 by residue)
QMean score : 0.528
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