AMINO ACIDS – SUPPLEMENTARY FILE:
Computational analyses of the effect of novel amino acid clusters of human transglutaminase 2 on its structure and function
Kiruphagaran Thangaraju*, Róbert Király*, János András Mótyán*, Viktor Attila Ambrus#*, Mónika Fuxreiter #*†, László Fésüs*‡†
*Department of Biochemistry and Molecular Biology, #MTA-DE Momentum Laboratory of Protein Dynamics, ‡MTA-DE Stem cell, Apoptosis and Genomics Research Group of Hungarian Academy of Sciences, Faculty of Medicine, University of Debrecen, Debrecen, Hungary;
To whom correspondence should be addressed: László Fésüs, Department of Biochemistry and Molecular Biology, Faculty of Medicine, University of Debrecen, Egyetem ter 1., Debrecen, Hungary 4012. Phone: +36 52 416 432, Fax: +36 52 314 989, Email:
† These authors contributed equally to this study
Comparative sequence alignment of human and primate TGM2 proteins
HUMAN MAEELVLERCDLELETNGRDHHTADLCREKLVVRRGQPFWLTLHFEGRNYEASVDSLTFS 60
PONAB MAEDLVLERCDLELETNGRDHHTADLCREKLVVRRGQPFWLTLHFEGRNYEASVDSLTFS 60
NOMLE ---DLVLERCDLELETNGRDHHTADLCREKLVVRRGQPFWLTLHFEGRYY-ASVYSLTFS 56
GORGO MAEELVLERCDLELETNGRDHHTADLCREKLVVRRGQPFWLTLHFEGRNYEASVDSLTFS 60
PANTR MAEELVLERCDLELETNGRDHHTADLCREKLVVRRGQPFWLTLHFEGRNYEASVDSLTFS 60
CALJA MAEELILERCDLELESNGRDHHTADLCQEKLVVRRGQPFRLTLHFEGRNYEASVDSLTFS 60
MACMU MAEDLVLERCDLELETNGRDHHTADLCREKLVVRRGQPFWLTLHFEGRNYEASVDSLTFS 60
BABON MAEDLVLERCDLELETNGRDHHTADLCREKLVVRRGQPFWLTLHFEGRNYEASVDSLTFS 60 GREEN MAEDLILERCDLELETNGRDHHTADLCREKLVVRRGQPFWLTLHFEGRNYEASVDSLTFS 60
HUMAN VVTGPAPSQEAGTKARFPLRDAVEEGDWTATVVDQQDCTLSLQLTTPANAPIGLYRLSLE 120
PONAB VVTGPAPSQEAGTKARFPLRDAVEEGDWTATVVDQQDCTLSLQLTTPADAPIGLYRLSLE 120
NOMLE VVTGPAPSQEAGTKARFPLRDAVEEGDWTATVVDQQDRTLSLQLTTPANAPIGLYRLSLE 116
GORGO VVTGPAPSQEAGTKARFPLRDAVEEGDWTATVVDQQDCTLSLQLTTPANAPIGLYRLSLE 120
PANTR VVTGPAPSQEAGTKARFPLRDAVDEGDWTATVVDQQDCTLSLQLTTPANAPIGLYRLSLE 120
CALJA VVTGPAPSKEAGTKARFPLQDAVEEGGWTAAVVDQQDCALSLQLTAPADAPIGLYRLSLE 120
MACMU VVTGPAPSQEAGTKARFPLRDAVEEGDWTATVVDQQDCTLSLQLTTPANAPIGLYRLSLE 120
BABON VVTGPAPSQEAGTKARFPLRDAVEEGDWTATVVDQQDCTLSLQLTTPANAPIGLYRLSLE 120
GREEN VVTGPAPSQEAGTKARFPLRDAVEEGDWTATVVDQQDCTLSLQLTTPANAPIGLYRLSLE 120
HUMAN ASTGYQGSSFVLGHFILLFNAWCPADAVYLDSEEERQEYVLTQQGFIYQGSAKFIKNIPW 180
PONAB ASTGYQGSSFVLGHFILLFNSWCPADAVYLDSEEERQEYVLTQQGFIYQGSAKFIKNIPW 180
NOMLE ATTGYQGSSFVLGHFILLFNAWCPADAVYLDSEEERQEYILTQQGFIYQGSAKFIKNIPW 176
GORGO ASTGYQGSSFVLGHFILLFNAWCPADAVYLDLEEERQEYVLTQQGFIYQGSAKFIKNIPW 180
PANTR ASTGYQGSSFVLGHFILLFNAWCPADAVYLDSEEERQEYVLTQQGFIYQGSAKFIKNIPW 180
CALJA AATGYQGSSFVLGHFTLLFNAWCPVDAVYLDSEEERQEYILTQQGFIYQGSAKFIKSVPW 180
MACMU ASTGYQGSSFVLGHFILLFNAWCPADAVYLDSEEERREYVLTQQGFIYQGSAKFIKSIPW 180
BABON ASTGYQGSSFVLGHFILLFNAWCPADAVYLDSEEERQEYVLTQQGFIYQGSAKFIKSIPW 180
GREEN ASTGYQGSSFVLGHFILLFNAWCPADAVYLDLEEERQEYVLTQQGFIYQGSAKFIKSIPW 180
HUMAN NFGQFEDGILDICLILLDVNPKFLKNAGRDCSRRSSPVYVGRVVSGMVNCNDDQGVLLGR 240
PONAB NFGQFEDGILDICLMLLDVNPKFLKNAGRDCSRRSSPIYVGRVVSGMVNCNDDQGVLLGR 240
NOMLE NFGQFEDGILDICLILLDVNPKFLKNAGRDCSRRSSPVYVGRVVSGMVNCNDDQGVRKKR 236
GORGO NFGQFEDGILDICLILLDVNPKFLKNAGRDCSRRSSPVYVGRVVSGMVNCNDDQGVLLGR 240
PANTR NFGQFEDGILDICLILLDVNPKFLKNAGRDCSRRSSPVYVGRVVSGMVNCNDDQGVLLGR 240
CALJA NFGQFEDGILDICLMLLDVNPKFVKDAGRDCSRRSSPIYIGRVVSGMVNCNDDQGVLLGR 240
MACMU NFGQFEDGILDICLILLDVNPKFLKNAGRDCSRRSSPVYVGRVVSGMVNCNDDQGVLLGR 240
BABON NFGQFEDGILDICLILLDVNPKFLKNAGRDCSRRSSPVYVGRVVSGMVNCNDDQGVLLGR 240
GREEN NFGQFEDGILDICLILLDVNPKFLKNAGRDSSRRSSPVYVGRVVSGMVNCNDDQGVLLGR 240
HUMAN WDNNYGDGVSPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTN 300
PONAB WDNNYGDGISPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTN 300
NOMLE WDNNYGDGISPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTN 296
GORGO WDNNYGDGISPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTN 300
PANTR WDNNYGDGVSPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTN 300
CALJA WDNNYGDGVSPMFWIGSVDILRRWRNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTN 300
MACMU WDNNYGDGVSPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTN 300
BABON WDNNYGDGVNPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTN 300
GREEN WDNNYGDGVSPMSWIGSVDILRRWKNHGCQRVKYGQCWVFAAVACTVLRCLGIPTRVVTN 300
HUMAN YNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPT 360
PONAB YNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPT 360
NOMLE YNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPT 356
GORGO YNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPT 360
PANTR YNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPT 360
CALJA YNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPT 360
MACMU YNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPT 360
BABON YNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPT 360
GREEN YNSAHDQNSNLLIEYFRNEFGEIQGDKSEMIWNFHCWVESWMTRPDLQPGYEGWQALDPT 360
HUMAN PQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVHKSINRSL 420
PONAB PQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVHKSINHSL 420
NOMLE PQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVHKSINHSL 416
GORGO PQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVHKSINRSL 420
PANTR PQEKSGGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVHKSINRSL 420
CALJA PQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSMHKSVNRSL 420
MACMU PQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVSKSINRSL 420
BABON PQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVSKSINRSL 420
GREEN PQEKSEGTYCCGPVPVRAIKEGDLSTKYDAPFVFAEVNADVVDWIQQDDGSVSKSINRSL 420
HUMANIVGLKISTKSVGRDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVG 480
PONABIVGLKISTKSVGRDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVG 480
NOMLEIVGLKISTKSVGRDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVG 476
GORGOIVGLKISTKSVGRDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVG 480
PANTRIVGLKISTKSVGRDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVG 480
CALJAVVGMKISTKSVGCDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEEAGMAMRIRVG 480
MACMUTVGLKISTKSVGRDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVG 480
BABONTVGLKISTKSVGRDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVG 480
GREENTVGLKISTKSVGRDEREDITHTYKYPEGSSEEREAFTRANHLNKLAEKEETGMAMRIRVG 480
HUMAN QSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKYLLNLNLEPFSEK 540
PONAB QSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKYLLNLNLEPFSEK 540
NOMLE QSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKYLLNLNLEPFSEK 536
GORGO QSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKYLLNLNLEPFSEK 540
PANTR QSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKYLLNLNLEPFSEK 540
CALJA QSMNMGSDFDVFAHITNNTTEEHACRLLLCARTVSYNGVLGPECGTKDLLNLTLEPFSEK 540
MACMU QSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKHLLNLNLEPFSEK 540
BABON QSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKHLLNLNLEPFSEK 540
GREEN QSMNMGSDFDVFAHITNNTAEEYVCRLLLCARTVSYNGILGPECGTKHLLNLNLEPFSEK 540
HUMAN SVPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQK 600
PONAB SVPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQK 600
NOMLE SIPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQK 596
GORGO SIPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQK 600
PANTR SVPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQK 600
CALJA SIPLRILYEKYCDCLTESNLIKVRGLLVEPATNSYLLAERDLYLENPEIKIRILGEPKQK 600
MACMU SIPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQK 600
BABON SIPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQK 600
GREEN SIPLCILYEKYRDCLTESNLIKVRALLVEPVINSYLLAERDLYLENPEIKIRILGEPKQK 600
HUMAN RKLVAEVSLQNPLPVALEGCTFTVEGAGLTEEQKTVEIPDPVEAGEEVKVRMDLLPLHMG 660
PONAB RKLVAEVSLQNPLPVALEGCTFTVEGAGLTEEQKTVEIPDPVEAGEEVKVRIDLLPLHVG 660
NOMLE RKLVAEVSLRNPLPVALAGCTFTVEGAGLTEEQKRVEIPDPVESGEEVKVRMDLLPLHMG 656
GORGO RKLVAEVSLQNPLPVALEGCTFTVEGAGLTEEQKTVEIPDPVEAGEEVKVRMDLLPLHMG 660
PANTR RKLVAEVSLQNPLPVALEGCTFTVEGAGLTEEQKTVEIPDPVEAGEEVKVRMDLLPLHMG 660
CALJA RKLVAEVSLRNPLTVSLAGCIFTVEGAGLTEEQKTVEIQDPVEAGEEVKVRVALLPLHVG 660
MACMU RKLVAEVSLQNPLPVALEGCTFTVEGAGLTEEQKTVEIPDPVEAGEEVKVRMDLLPLHMG 660
BABON RKLVAEVSLQNPLPVALEGCTFTVEGAGLTEEQKTVEIPDPVEAGEEVKVRMDLLPLHMG 660
GREEN RKLVAEVSLQNPLPVALEGCTFTVEGAGLTEEQKTVEIPDPVEAGEEVKVRMDLLPLHMG 660
HUMAN LHKLVVNFESDKLKAVKGFRNVIIGPA 687
PONAB LHKLVVNFESDKLKAVKGFRNVIIGPA 687
NOMLE LHKLVVNFESDKLKAVKGFRNIIIGPA 683
GORGO LHKLVVNFESDKLKAVKGFRNVIIGPA 687
PANTR LHKLVVNFESDKLKAVKGFRNVIIGPA 687
CALJA RHKLVVNFESDKLKAVKGFRNVIIGPA 687
MACMU LHKLVVNFESDKLKAVKGFRNVIIGPA 687
BABONLHKLVVNFESDKLKAVKGFRNVIIGPA 687
GREEN LHKLVVNFESDKLKAVKGFRNVIIGPA 687
Fig. S1 Comparison was made by the UniProt ClustalO program. Sequences from UniProt were used. Lanes: 1. human, 2. sumatran orangutan (PONAB), 3. northern white-cheeked gibbon (NOMLE), 4. gorilla (GORGO), 5. chimpanzee (PANTR), 6. white-tufted-ear marmoset (CALJA), 7. rhesus macaque (MACMU), 8. olive baboon (BABON), 9. green monkey (GREEN). All the amino acid clusters are bolded and underlined. Residues different from human TGM2 are highlighted in yellow (grey background).
Novel amino acid clusters in members of the human transglutaminase family in comparison to the mouse sequence
F13A HUMANMSETSRTAFGGRRAVPPNNSNAAEDDLPTVELQGVVPRGVNLQEFLNVTSVHLFKERWDT60
F13A MOUSE MSDTPASTFGGRRAVPPNNSNAAEVDLPTEELQGLVPRGVNLKDYLNVTAVHLFKERWDS60
F13A HUMANTYILFNPWCEDDAVYLDNEKEREEYVLNDIGVIFYGEVNDIKTRSWSYGQFEDGILDTCL 240
F13A MOUSE TYILFNPWCEEDAVYLDDEKEREEYVLNDIGVIFYGDFKDIKSRSWSYGQFEDGILDTCL 240
F13A HUMAN EQASLHFFVTARINETRDVLAKQKSTVLTIPEIIIKVRGTQVVGSDMTVTVQFTNPLKET660
F13A MOUSE EQGFLHFFVTARINESRDVLAKQKSIILTIPKITIKVRGAAMVGSDMVVTVEFTNPLKET660
TGM1 HUMANADDDWGPEPSDSRGRGSSSGTRRPGSRGSDSRRPVSRGSGVNAAGDGTIREGMLVVNGVD 116
TGM1 MOUSEGDDDWGPEPSGSRSRGTSSRG----RDSRGGRRPESRGSGVNAAGDGTIREGMLVVTGVD 115
TGM3 HUMAN MAALGVQSINWQTAFNRQAHHTDKFSSQELILRRGQNFQVLMIMNKGLGSNERLEFIVST60
TGM3 MOUSE MSALQIQNVNWQVPMNRRAHHTDKFSSQDSIVRRGQPWEIILVCNRSLESGEDLNFIVST60
TGM3 HUMAN GPYPSESAMTKAVFPLSNGSSGGWSAVLQASNGNTLTISISSPASAPIGRYTMALQIFSQ 120
TGM3 MOUSE GPQPSESARTKAVFSISGRSTGGWNAALKANSGNNLAIAIASPVSAPIGLYTLSVEISSR 120
TGM3 HUMANSQGVFQCGPASVIGVREGDVQLNFDMPFIFAEVNADRITWLYDNTTGKQWKNSVNSHTIG420
TGM3 MOUSESQGVFQCGPASVNAIKAGDVDRNFDMIFIFAEVNADRITWIYNNRNNTQKQNSVDTHSIG420
TGM3 HUMAN RYISTKAVGSNARMDVTDKYKYPEGSDQERQVFQKALGKLKPNTPFAATSSMGLETEEQE480
TGM3 MOUSE KYISTKAVGSNSRMDVTDKYKYPEGSSEERQVHQKALDKLKPNASFGATSSRNPEGEDKE480
TGM3 HUMAN PSIIGKLKVAGMLAVGKEVNLVLLLKNLSRDTKTVTVNMTAWTIIYNGTLVHEVWKDSAT 540
TGM3 MOUSE PSISGKFKVTGILAVGKEVSLSLMLKNMTNDRKTVTMNMTAWTIVYNGTLVHEVWKDSAT 540
TGM3 HUMAN MSLDPEEEAEHPIKISYAQYEKYLKSDNMIRITAVCKVPDESEVVVERDIILDNPTLTLE600
TGM3 MOUSE ISLDPEEEIQYPVKIAYSQYERYLKADNMIRITAVCKVPDEAEVVVERDVILDNPALTLE600
TGM4 HUMAN MMDASKELQVLHIDFLNQDNAVSHHTWEFQTSSPVFRRGQVFHLRLVLNQPLQSYHQLKL 60
TGM4 MOUSE –MDSRNVLIIYAVNVERKLNAAAHHTSEYQTKKLVLRRGQIFTLKVILNRPLQPQDELKV 59
TGM4 HUMAN TAPYKWTGSAPILQQYYNTKQAVCFGQCWVFAGILTTVLRALGIPARSVTGFDSAHDTER 300
TGM4 MOUSE TAPYVWTSSVPILQQHYVTRMPVRYGQCWVFSGILTTALRAVGIPARSVTNFESAHDTEK 287
TGM4 HUMAN QLLVCNCIFKNTLAIPLTDVKFSLESLGISSLQTSDHGTVQPGETIQSQIKCTPIKTGPK 660
TGM4 MOUSE QPLVITSKFTNTLPIPLTNIKFSVESLGLANMKSWEQETVPPGKTITFQMECTPVKAGPQ 646
TGM5 HUMAN-----MAQGLEVALTDLQSSRNNVRHHTEEITVDHLLVRRGQAFNLTLYFRNRSFQPGLD 55
TGM5 MOUSEMAQGCPITGLEVALTDLQSSQNNVRHHTEEISVDRLVVRRGQAFSITLYFKNRGFQPGMD 60
TGM5 HUMAN NIIFVVETGPLPDLALGTRAVFSLARHHSPSPWIAWLETNGATSTEVSLCAPPTAAVGRY 115
TGM5 MOUSE SIMFVAETGPLPDLAKGTRAVFSFTGSGGPSPWIASLEANRANSLEVSLCAPPIAAVGRY 120
TGM5 HUMANLHQDTSSVGNFISTKSIQSDERDDITENYKYEEGSLQERQVFLKALQKLKARSFHGSQRG 475
TGM5 MOUSELHQDTATVGNFISTKSIQSDERDDITESYKYEEGSLQEREVFLKALQKLQATRSQGPHQA 480
TGM5 HUMAN AELQPSRPTSLSQDSPRSLHTPSLRPSDVVQVSLKFKLLDPPNMGQDICFVLLALNMSSQ 535
TGM5 MOUSE N-SNPFSSVPPRHNSARSPDSPSLQPSDVLQVSLKFELLDSPKMGQDINFVLLAVNMSPQ 539
TGM7 HUMAN EISQGQGHSVTYPLGTFILLFNPWSPEDDVYLPSEILLQEYIMRDYGFVYKGHERFITSW 180
TGM7 MOUSE EISQGQGPGVTYPLGNFILLFNPWSTEDDVYLPSETLLREYIMSDYGFIYKGQTNSITSR 86
TGM7 HUMAN DPTPQQTSSGLFCCGPASVKAIREGDVHLAYDTPFVYAEVNADEVIWLLGDGQAQEILAH420
TGM7 MOUSE DPTPQQTSSGLFCCGPASVKAIKEGDVQLPYDTPFVYAEVNADEVVWLFEGGQVQEILAH326
TGM7 HUMAN NTSSIGKEISTKMVGSDQRQSITSSYKYPEGSPEERAVFMKASRKMLGPQRASLPFLDLL 480
TGM7 MOUSE NTSYIGKAISTKMVGSDERLDITSSYKYPEGSSEERSAFIKASWKLLEPRRNASSLLDLL 386
TGM7 HUMAN ESGGLRDQPAQLQLHLARIPEWGQDLQLLLRIQRVPDSTHPRGPIGLVVRFCAQALLHGG540
TGM7 MOUSE GSENLKAKPVRLQLHLVRAPMWGQDLPLMLYVQRVPVRDHVQGSVGLTVRFCAQALLHGG446
TGM7 HUMAN GTQKPFWRHTVRMNLDFGKETQWPLLLPYSNYRNKLTDEKLIRVSGIAEVEETGRSMLVL600
TGM7 MOUSE GTRKPFWRHIVHLNVDFEKELQWPFLLPYSSYRDKLTDERLIRVAGIAEVEETGQFILVL506
Fig. S2Amino acid clusters in human transglutaminase family members F13A, TGM1, TGM3, TGM4, TGM5, and TGM7 compared to their mouse counterparts are presented using sequences from UniProt (shaded grey). Only sequences where the clusters appear are shown. In case of TGM4 due to the presence of many clusters only few examples are shown. TGM6 is not shown as it does not contain any cluster. TGM2 clusters are presented in the main text.
Influence of human amino acid clusters on stability of mouse TGM2
FigS3. Influence of human amino acid clusters on stability of mouse TGM2. The stability analysis was carried out by FoldX software using homology model structures of human TGM2.Mouse sequence was modified with human TGM2 amino acid clusters and then relative free energy or thermodynamic stability ΔΔG [kcal/mol] was calculated for each cluster.The amino acid cluster changes (mouse to human change) are indicated along with thethermodynamic stability ΔΔG [kcal/mol] values.ΔΔGmousehuman=ΔΔGhuman-ΔΔG mouse (human relative to mouse).Colour code for different domains of mouse TGM2: β-sandwich domain, 1-139 (red); Catalytic core, 140-465 (green);β-barrel 1, 466-583, (cyan);β-barrel 2, 584-686, (orange).