Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNELRKLSIAQMHN--GLKQRSFSAVELIEVHINAVE----NEKLNAFITKTPEIAIKAAKTADERFSQQKDSTISPLMGIPVGVKDLFCTKGVKTTACSKMLENFIPTYESTVSDLLLKSGAAMLGKLNMDEFAMGSANINSYFGPVENVWVRKSDGEKVVPGGSSGGSAASVAGFLCAGALGSDTGGSVRQPAAYCGVVGAKPTYGRCSRFGMIAFASSLDQAGVITRSVSDSALMLETICGYDNKDSTSSER-PVPRFSNFINGDIKGRRIGIPKEYRM-DGISEEIIYHWEKVSSDLKENGAEVVDITLPHTKYAIPVYYLICSAEASSNLARYDGVRYGLRVN---ADILEEMYS---LTRAEGFGKEVKRRILIGAYALSSGHYNEYYEKAQCIRALIRNDFIKAFEKIDYILVPSAPTEAFGLNEKPD-P---L-IMCINDVFTVPASLAGLPAISVPVGLSNEGLPLALQVIGNYYDEAGMLNVASVIEQNCSRIIKLNS |
3A1K Chain:A ((23-506)) | -------DKTARLEWPALIDGALGSYDVVDQLYADEATPPTTSREHAVPSAS-ENPLSAWYVTT-SI---PPTSDGVLTGRRVAIKDNVTVAGVPMMNGSRTVEGFTPSRDATVVTRLLAAGATVAGKAVCEDLCFSGSSFTPASGPVRNPWDRQ-----REAGGSSGGSAALVANGDVDFAIGGDQGGSIRIPAAFCGVVGHKPTFGLVPYTGAFPIERTIDHLGPITRTVHDAALMLSVIAGRDGNDPRQADSVEAGDYLSTLDSDVDGLRIGIVREGFGHAVSQPEVDDAVRAAAHSLTEIGCTVEEVNIPWHLHAFHIWNVIATDGGAYQM--LDGNGYGMNAEGLYDPELMAHFASRRIQHADALSETVKLVALTGHHGI-TTLGGASYGKARNLVPLARAAYDTALRQFDVLVMPTLPYVASELPAKDVDRATFITKALGMIANTAPFDVTGHPSLSVPAGLV-NGLPVGMMITGRHFDDATVLRVGRAFEKLRGAFPTPAE |
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General information:
TITO was launched using:
| RESULT:
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Template: 3A1K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -204735 for 4449 contacts (-46.0/contact) +
2D Compatibility (PS) -49155 + (NN) -9265 + (LL) 952
1D Compatibility (HY) -11600 + (ID) 6500
Total energy: -280303.0 ( -63.00 by residue)
QMean score : 0.425
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