Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MRTLLLAGGLLVLSGCSLLMPTPDPNRAWVDLDTQPDADLAAVEVDDKSWDRTRYFEVDPGTRELTVRYQFTVDPTNIGPVDSPLWRDCQLNLKFKDFSAGQRYRLEAGHIGFRPWAKLYDQDNRELARGREGRCAKV----------------------- |
2JKE Chain:A ((11-715)) | QQKLTSPDNNLVMTFQVDSKGAPTYELTYKNKVVIKPSTLGLELKKEDSKTNLYDGFEVKDTQTATFDETWQPVWGEEKEIRNHYNELAVTLYQPMNDRSIVIRFRLFNDGLGFRYEFPQQKSLNYFVIKEEHSQFGMNGDHIAFWIPGDYDTQEYDYTISRLSEIRGLMKEAITPNSSQTPFSQTGVQTALMMKTDDGLYINLHEAALVDYSCMHLNLDDKNMVFESWLTPDAKGDKGYMQTPCNTPWRTIIVSDDARNILASRITLNLNEPCKIADAASWVKPVKYIGVWWDMITGKGSWAYTDELTSVKLGETDYSKTKPNGKHSANTANVKRYIDFAAAHGFDAVLVEGWNEGWEDWFGNSKDYVFDFVTPYPDFDVKEIHRYAARKGIKMMMHHETSASVRNYERHMDKAYQFMADNGYNSVKSGYVGNIIPRGEHHYGQWMNNHYLYAVKKAADYKIMVNAHEATRPTGICRTYPNLIGNESARGTEYESFGGNKVYHTTILPFTRLVGGPMDYTPGIFETHCNKMNPANNSQVRSTIARQLALYVTMYSPLQMAADIPENYER-------FMDAFQFIKDVALDWDETNYLEAEPGEYITIARKAKDTDDWYVGCTAGENGHTSKLVFDF--LTPGKQYIATVYADAKDA-------DWKENPQAYTIKKGILTNKSKLNLHAANGGGYAISIKEV |
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General information:
TITO was launched using:
| RESULT:
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Template: 2JKE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 224 for 766 contacts (0.3/contact) +
2D Compatibility (PS) -12245 + (NN) -235 + (LL) 1208
1D Compatibility (HY) 1600 + (ID) 1000
Total energy: -10448.0 ( -13.64 by residue)
QMean score : 0.123
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