Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIMKKKILAYALSALTCGLFTSCSDWLDINHDPNTAEKVDPGYLFNYVAVNWAGTRTGGDFYIPLSMSSQCQVDGGLDYGGWDESVYTISPYSTGNTWKHYYSVGGNNLMLAIKNAEEADPVNHNAIAQCKILLAEHMYEATMLWGDIPFTESWNGTIKYPKFDSQESVLNGVLSLLDEALQIMDLNDANAIDE----YDIYYKGDMNKWMTLAKSLKFRTLMVMVDKDPSKATAIGTLLQAGGMVSSASDNLVFPYSAEPGNQNPK-YELI----ELVGGTQILFFASNYMLKPMQERNDPRIPCYFEP---GADGVYRGLGNR-----EPAVTDDKDNMLSSVVSSYLFRKDAPELIYSCQEQLLLEAEAYARGLGVAQNLSKANELYKKGIREACAFYGVAEAD-------------IDTYVTGLPELTALTQE-------------KALYEIHMQQWIDLMDRPFEEFVQWRRSGTAGNEVPTLQVPEDATSKELIRRWEYSPEEMTANINAPKESPKIWEKLWFDL |
3SGH Chain:A ((45-467)) | -----------------------------------------------------------------SFSGQVTATANWSFGKNIFAYYNASEGHNDSSWGRLYGYIYPSFFL-VENSTEKKGVIY-AMAQLTRVYGMQLLAS--LQGPIPYTQMKAGETEAP-YDNEQTVWHAMFDDLDNAITILKSAATFGVNQDLAVVDQFYKGDCSKWLKFANTLKLRMAIRISGVEPEYAQTKAQEAVLGGVMESVGDS---SYDTTNGGINENGYAIVSGWPEVRANACLVSYMNGY--------NDPRRPAYFTPQTQTAAGGYVGVRSGSAEIPEPTVYANYSKLFIAT------DKTLPQPVMYAAEAAFLRAEGALKGWNMGGD---AKTFYEKGVRLSFEEFGVSGADDYLADATSIPGNYVDNLIAGHTGNNYTNQSSITIKWEDGADDAKKLERVLTQKWIACYPDPMNGWADFRRTGYPRIFPATESMNADCNTGRGQRRLRFTRSEYNNN------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SGH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -25827 for 3155 contacts (-8.2/contact) +
2D Compatibility (PS) -41372 + (NN) -29986 + (LL) 7552
1D Compatibility (HY) -20800 + (ID) 5000
Total energy: -115433.0 ( -36.59 by residue)
QMean score : 0.274
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