Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MALLLVSLLAFLSLGSGCHHRICHCSNRVFLCQESKVTEIPSDLPRNAIELRFVLTKLRVIQKGAFSGFGDLEKIEISQNDVLEVIEADVFSNLPKLHEIRIEKANNLLYINPEAFQNLPNLQYLLISNTGIKHLPDVHKIHSLQKVLLDIQDNINIHTIERNSFVGLSFESVILWLNKNGIQEIHNCAFNGTQLDELNLSDNNNLEELPNDVFHGASGPVILDISRTRIHSLPSYGLENLKKLRARSTYNLKKLPTLEKLVALMEASLTYPSHCCAFANWRRQISELHPICNKSILRQEVDYMTQARGQRSSLAEDNESSYSRGFDMTYTEFDYDLCNEVVDVTCSPKPDAFNPCEDIMGYNILRVLIWFISILAITGNIIVLVILTTSQYKLTVP-RFLMCNLAFADLCIGIYLLLIASVDIHTKSQYHNYAIDWQTGAGCDAAGFFTVFASELSVYTLTAITLERWHTITHAMQLDCKVQLRHAASVMVMGWIFAFAAALFPIFGISSYMKVSICLPMDID--SPLSQL----YVMSLLVLN-VLAFVVICGCYIHIYLTVRNPNIVSSSSDT-----RIAKRMAMLIFTDFL-CMAP---ISFFAIS--ASLKVPLITVSKAKILLVLFHPINSCANPFLYAIFTKNFRRDFFILL----SKCGCYEMQAQIYRTETSSTVHNTHPRNGHCSSAPRVTNGSTYILVPLSHLAQN |
3PQR Chain:A ((37-326)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FSMLAAYMFLLIMLGFPINFLTLYV-TVQHKKLRTPLNYILLNLAVADL-----FMVFGGFTTTLYTSLHGYFVFGPTG--CNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMS-NFRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPA-----FFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKN----------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PQR.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -229844 for 2022 contacts (-113.7/contact) +
2D Compatibility (PS) -27409 + (NN) -7737 + (LL) 28132
1D Compatibility (HY) -33200 + (ID) 3400
Total energy: -273458.0 ( -135.24 by residue)
QMean score : 0.146
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