Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGEMTLAFIEEQYKELDNLNNKE-NPAVLTRNTSTGELFVRKIIPSSF-------APVIEQLKNLSSKYLPKIEVMIPKGNQLIVYEEYINGKNLADLMKTNAPFDTDEVTRLMLMLSDALTELHANAIIHRDIKPSNIMISS---DGVLKLIDFDASRMFEVGKNQDTVNLGTIGYAAPEQYGYSQTDARSDIYSIGVLMLELLLGKNTLPDKEH-----------------------ATSLEKIAMQAGAFDPEQRYQSIQDFRTAVKNDSLGPSYVSELSDFTELDDSPTESAWKTPADEYENDFIPWYKHIPGFRTGTPWKMIVAVFGYMFLIFGLFSPPTEGVKMSHTVNFFSNFFLIVPAFVIFTNLCGIWSKLPLLKSPSPGTRKAGIVIYIIVCVSIYGIYNEIFS |
| 3I6U Chain:A ((217-478)) | ---------RDEYIMSKTLGSGACGEVKLAFERKTCKKVAIRIISKRKFAIGLNVETEIEILKKLNHPCIIKIKNFFDA-EDYYIVLELMEGGELFDKVVGNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKILG------------PTYLAPEVLV-AGYNRAVDCWSLGVILFICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALDLVKKLLVVDPKARFTTE-------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I6U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -85693 for 1496 contacts (-57.3/contact) +
2D Compatibility (PS) -21989 + (NN) -10475 + (LL) 10284
1D Compatibility (HY) -16800 + (ID) 2500
Total energy: -127173.0 ( -85.01 by residue)
QMean score : 0.538
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