Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MGEMTLAFIEEQYKELDNLNNKE-NPAVLTRNTSTGELFVRKIIPSS-FAPVIEQLKNLSSKYLPKIEVMIPKGNQLIVYEEYINGKNLADLMKTNAPFDTDEVTRLMLMLSDALTELHANAIIHRDIKPSNIMISSDGVLKLIDFDASRMFEVGK--NQDTVNLGTIGYAAPEQYGYS-QTDARSDIYSIGVLMLELLLGKNTLPDKEH---------------------ATSLEKIAMQAGAFDPEQRYQSIQDFRTAVKNDSLGPSYVSELSDFTELDDSPTESAWKTPADEYENDFIPWYKHIPGFRTGTPWKMIVAVFGYMFLIFGLFSPPTEGVKMSHTVNFFSNFFLIVPAFVIFTNLCGIWSKLPLLKSPSPGTRKAGIVIYIIVCVSIYGIYNEIFS |
| 3TKI Chain:A ((6-261)) | ---------VEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKNIKKEICINKMLNHENVVKFYGHRREGNIQYLFLEYCSGGELFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPENLLLDERDNLKISDFGLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARI-TIPDIKK--------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TKI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -80524 for 1690 contacts (-47.6/contact) +
2D Compatibility (PS) -24372 + (NN) -16161 + (LL) 9888
1D Compatibility (HY) -11600 + (ID) 2550
Total energy: -125319.0 ( -74.15 by residue)
QMean score : 0.517
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