Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQDFKALENLQTKTLEAEKGGGLDRINKQHEKGKLTARERLSILLDENSFEEYDKFVKRHVTDFGMQNASFLGDGVVIGHGTIYGRKVFVYSQDFTVFGGSLGASHAKKICKIIDMAINVRVPIIGLNDSGGARIQEGVNSLAGYGELFQRNVNASGVIPQISLIMGPCAGGAVYSPALTDFTFMVKNSSYMFITGPDVVKKVTYEDVNHEDLGGAKIHTSKTGVVDFAFNNDVEMLLKIREFFTFLPANNQELPKSVPICDDVDDINESLNTLIPHNPNTPYDMHELIEKVCD-ERNFFELKPDFARNIIIGFGRIKGNTVGIVANQPMYLAGCLDIDSSRKAARFVRFCDAFNIPITTLIDVPGFLPGTNQEYNNIIQHGAKLLYAYAEATVPKISLITRKAYGGAYIVMNSKHLKGDINYAWPTAEIAVMGPESAVEIIFR--------HEKD--QQTLIKEYKEKFANPFFAASHGYIDDIIVPSKTRYHLYKALELLKNKKIERIWKKHDNLPL |
4G2R Chain:B ((41-466)) | --------------------------------------------------------------------------GVLAAAGTVNGVRTIAFCTDGTVMGGAMGVEGCTHIVNAYDTAIEDQSPIVGIWHSGGARLAEGVRALHAVGQVFEAMIRASGYIPQISVVVGFAAGGAAYGPALTDVVVMAPESR-VFVTGP------------MASLGGPETHHKKSGVCHIVADDELDAYDRGRRLVGLF-CQQGHFDRSKAEAGDTD-----IHALLPESSRRAYDVRPIVTAILDADTPFDEFQANWAPSMVVGLGRLSGRTVGVLANNPLRLGGCLNSESAEKAARFVRLCDAFGIPLVVVVDVPGYLPGVDQEWGGVVRRGAKLLHAFGECTVPRVTLVTRKTYGGAYIAMNSRSLNATKVFAWPDAEVAVMGAKAAVGILHKKKLAAAPEHEREALHDQLAAEHERIAGGVDSALDIGVVDEKIDPAHTRSKLTEALAQAPARR-----G------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4G2R.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -232470 for 3534 contacts (-65.8/contact) +
2D Compatibility (PS) -43274 + (NN) -15927 + (LL) 6668
1D Compatibility (HY) -29200 + (ID) 8000
Total energy: -322203.0 ( -91.17 by residue)
QMean score : 0.462
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