Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNIYQKNLQALFKKDPLLFAKLKAIKENKKYEVFLGNDSANFNLLDKETNTPLFEKSPLDSSLELYKNSEIHMLYPYLYYFGLGNGVFYRLLLGNENLKRLVVIEPEIEVIFIVLNLLDFSTEILENRLILLHASFCNYNMIASLFDMDKKSRLYARMYDLKLFNAYYERYSHQMIEINQHFTRALEHGAISVGNDAKDALIGIKQHVANLPEVIKSPSLVDFVNALKNRDTAIIVSTGPSLNKQLPLLKEI-APYATLFCIDASFPILARAGIKPDIVLSLERVDLTAKFYEETPLDFQEGVIFALTSIVHKRLIQAIQKGVKQFSFRPFGYTNLFDLHQYGYVGIGMSAANMAYELVVHSRFKRCVFIGQDLSFSQSGNSHASGAIYGDREIKPKKDKDKIFIEKYGGNGKVETTLVWKLFLEFFEKDIFNTPYKLEVINATEGGARIKGTKEMPFKEVCEKIDKSKPKPPINLIYPTQSEQAKNLKIAKKKCEEIIKYANEKKTQVEEAFLKVAEFLEKVEKLHEKNKLEELDFEELENLSAEIDNVKELFDDKRFNSYFMDAIQSYIFHQELHIAEIVCKKTSNEDGLRAKQLEYIYAHKYWLFSLAGGMDCVIEAIKMALKEW |
3K94 Chain:A ((2-49)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IIHIVGGGPRELLP--DLRFYDGEDVCWVGVDRGTMTLLEAGFRPVRAFGDFDSLPAEDVVKLQQAFPDLDVWPAEKDKTDMEIALDWAVEQTARCIRLFGATGGRLDHLFGNVELLLKYADRPIEIVDRQNVLTVHLPGTYTVMYDARYCYVSYIPVSETVAEFTLTGFKYPLTNCHISRGSTLCISNELIQSSGTFSFSEGILMMIRSSDSSCL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K94.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -30463 for 259 contacts (-117.6/contact) +
2D Compatibility (PS) -4578 + (NN) -3407 + (LL) 29968
1D Compatibility (HY) 800 + (ID) 300
Total energy: -7980.0 ( -30.81 by residue)
QMean score : 0.378
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