Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDEQSQGMQGPPVPQFQPQKALRPDMGYNTLANFRIEKKIGRGQFSEVYRAACLLDGVPVALKKVQIFDLMDAKARADCIKEIDLLKQLNHPNVIKYYASFIE--DNELNIVLELADAGDLSRMIKHFKKQKRLIPERTVWKYFVQLCSALEHMHSRRVMHRDIKPANVFITATGVVKLGDLGLGRFFSSKTTAAHSLVGTPYYMSPERIHENGYNFKSDIWSLGCLLYEMAALQSPFYGDKMNLYSLCKKIEQCDYPPLPSDHYSEELRQLVNMCINPDPEKRPDVTYVYDVAKRMHACTASS |
2XK3 Chain:A ((7-262)) | --------------------------------DYEVLYTIGT----RCQKIRRKSDGKILVWKELDYGSMTEAEKQM-LVSEVNLLRELKHPNIVRYYDRIIDRTNTTLYIVMEYCEGGDLASVITKGTKERQYLDEEFVLRVMTQLTLALKECHRRS---RDLKPANVFLDGKQNVKLGDFG---------------VGTPYYMSPEQMNR---NEKSDIWSLGCLLYELCALMPPFTA--FSQKELAGKIREGKFRRIPY-RYSDELNEIITRMLNLKDYHRPSVEEILENPLILEHHHHHH |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XK3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -131923 for 1616 contacts (-81.6/contact) +
2D Compatibility (PS) -24429 + (NN) -16899 + (LL) 2376
1D Compatibility (HY) -21600 + (ID) 4350
Total energy: -196825.0 ( -121.80 by residue)
QMean score : 0.553
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