==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAR-07 2P2O . COMPND 2 MOLECULE: MALTOSE TRANSACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS KAUSTOPHILUS; . AUTHOR Z.J.LIU,Y.LI,L.CHEN,J.ZHU,J.P.ROSE,A.EBIHARA,S.YOKOYAMA,B.C. . 1103 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 835 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 269 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 80 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 18.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 3 2 5 0 0 0 6 0 0 0 0 0 0 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 43 29 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 6 0 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 6 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A K 0 0 149 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.3 -0.1 -40.3 28.7 2 3 A S > - 0 0 41 1,-0.1 4,-2.0 11,-0.0 5,-0.1 -0.307 360.0-106.4 -67.2 165.5 -1.1 -40.3 25.0 3 4 A E H > S+ 0 0 37 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.907 122.9 56.3 -64.2 -39.7 0.6 -37.7 22.8 4 5 A K H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 106.0 49.9 -57.3 -44.1 -2.7 -35.8 22.7 5 6 A E H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 6,-0.2 0.904 111.7 48.2 -62.2 -40.7 -2.7 -35.6 26.5 6 7 A K H X>S+ 0 0 63 -4,-2.0 5,-2.6 1,-0.2 4,-0.6 0.932 111.2 51.5 -66.0 -43.7 0.8 -34.3 26.5 7 8 A M H ><5S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 120,-0.2 0.936 111.5 45.6 -53.6 -52.5 -0.1 -31.7 23.8 8 9 A L H 3<5S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 85,-0.2 0.770 109.9 55.9 -69.6 -22.4 -3.1 -30.4 25.7 9 10 A A H 3<5S- 0 0 48 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.539 117.0-109.3 -88.3 -4.9 -1.1 -30.3 29.0 10 11 A G T <<5S+ 0 0 29 -3,-1.3 -3,-0.2 -4,-0.6 2,-0.2 0.602 77.2 132.5 87.9 13.0 1.6 -28.0 27.5 11 12 A H < - 0 0 98 -5,-2.6 -1,-0.3 -6,-0.2 116,-0.2 -0.497 68.8 -82.5 -91.9 162.8 4.1 -30.9 27.6 12 13 A L + 0 0 88 -2,-0.2 2,-0.3 114,-0.1 114,-0.2 -0.378 60.9 166.4 -61.0 143.8 6.4 -32.0 24.8 13 14 A Y B -A 125 0A 4 112,-2.0 112,-2.5 -7,-0.1 -10,-0.1 -0.975 39.9-106.0-157.2 165.6 4.7 -34.2 22.4 14 15 A N > - 0 0 60 -2,-0.3 3,-2.1 110,-0.2 6,-0.2 -0.862 16.1-164.7-102.8 108.1 4.9 -35.8 18.9 15 16 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 109,-0.1 0.701 88.5 69.6 -64.8 -17.4 2.7 -34.2 16.3 16 17 A A T 3 + 0 0 60 107,-0.1 5,-0.1 4,-0.1 108,-0.0 0.565 70.0 127.6 -74.9 -7.1 3.3 -37.3 14.1 17 18 A D <> - 0 0 40 -3,-2.1 4,-2.6 1,-0.1 5,-0.2 -0.206 68.9-126.0 -49.0 132.1 1.2 -39.3 16.6 18 19 A L H > S+ 0 0 148 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.857 106.8 50.4 -57.3 -40.5 -1.5 -41.1 14.6 19 20 A E H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 112.7 47.3 -62.2 -45.9 -4.5 -39.8 16.6 20 21 A L H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.914 109.6 53.5 -64.6 -43.6 -3.2 -36.2 16.3 21 22 A V H X S+ 0 0 30 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.937 109.3 48.2 -55.6 -46.8 -2.6 -36.6 12.5 22 23 A K H X S+ 0 0 134 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.909 112.1 50.0 -59.6 -42.7 -6.3 -37.9 12.1 23 24 A E H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.894 109.4 50.6 -64.9 -42.0 -7.5 -34.9 14.1 24 25 A R H X S+ 0 0 50 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.895 111.0 49.6 -62.1 -38.9 -5.5 -32.4 12.0 25 26 A E H X S+ 0 0 42 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.875 109.1 51.4 -66.1 -40.2 -6.9 -33.9 8.8 26 27 A R H X S+ 0 0 132 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.896 110.3 49.4 -64.5 -39.8 -10.4 -33.7 10.1 27 28 A A H X S+ 0 0 3 -4,-2.1 4,-2.1 42,-0.3 -2,-0.2 0.911 110.6 49.7 -63.7 -42.6 -9.9 -30.0 11.0 28 29 A R H X S+ 0 0 25 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.888 107.9 55.8 -68.2 -33.1 -8.5 -29.3 7.5 29 30 A R H X S+ 0 0 117 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.925 110.4 42.9 -59.0 -51.2 -11.5 -31.0 6.0 30 31 A L H X S+ 0 0 15 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.854 114.0 51.5 -63.2 -38.2 -13.9 -28.8 7.8 31 32 A V H X S+ 0 0 7 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.895 108.5 52.7 -67.3 -40.0 -11.8 -25.7 7.0 32 33 A R H X S+ 0 0 57 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.940 110.0 46.9 -60.3 -49.5 -11.8 -26.8 3.4 33 34 A L H X S+ 0 0 51 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.919 114.9 49.1 -58.5 -40.1 -15.7 -27.0 3.4 34 35 A Y H >< S+ 0 0 3 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.936 108.5 49.7 -64.3 -50.1 -15.8 -23.6 5.1 35 36 A N H 3< S+ 0 0 25 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.744 109.0 55.3 -67.0 -21.6 -13.4 -21.8 2.8 36 37 A E H 3< S+ 0 0 134 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.614 82.9 110.3 -84.5 -13.5 -15.4 -23.1 -0.2 37 38 A T S << S- 0 0 8 -3,-1.3 2,-0.1 -4,-0.6 -3,-0.0 -0.273 73.8-107.9 -64.5 151.3 -18.8 -21.7 1.0 38 39 A L > - 0 0 62 1,-0.1 3,-1.5 179,-0.0 7,-0.1 -0.305 26.9-108.8 -74.8 161.7 -20.4 -18.8 -1.0 39 40 A E T 3 S+ 0 0 16 1,-0.3 -1,-0.1 171,-0.1 3,-0.1 0.673 120.4 51.2 -67.6 -15.2 -20.5 -15.3 0.4 40 41 A T T 3 S+ 0 0 72 1,-0.1 2,-1.8 170,-0.1 3,-0.3 0.498 81.8 95.6 -97.5 -8.3 -24.3 -15.8 0.9 41 42 A E <> + 0 0 65 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 -0.340 41.6 147.5 -87.6 59.9 -24.1 -19.1 2.8 42 43 A Y H > + 0 0 82 -2,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.908 68.6 47.8 -66.0 -46.1 -24.3 -17.6 6.2 43 44 A D H > S+ 0 0 147 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.877 112.0 49.2 -63.3 -39.4 -26.2 -20.4 7.9 44 45 A K H > S+ 0 0 118 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 110.9 52.0 -66.1 -41.3 -24.0 -23.1 6.5 45 46 A R H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.947 108.3 50.5 -57.7 -50.4 -21.0 -21.1 7.7 46 47 A T H X S+ 0 0 36 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 111.6 47.7 -53.4 -49.8 -22.4 -20.8 11.2 47 48 A G H X S+ 0 0 42 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.866 109.7 52.6 -63.4 -40.0 -23.0 -24.6 11.5 48 49 A L H X S+ 0 0 21 -4,-2.1 4,-2.6 2,-0.2 3,-0.2 0.930 112.2 45.6 -60.4 -48.3 -19.5 -25.5 10.1 49 50 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.880 109.0 54.0 -64.7 -36.6 -17.9 -23.3 12.7 50 51 A K H < S+ 0 0 86 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.783 114.5 42.5 -72.0 -22.9 -20.0 -24.5 15.6 51 52 A E H < S+ 0 0 133 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.841 117.2 48.0 -81.9 -40.4 -18.9 -28.1 14.7 52 53 A L H < S+ 0 0 8 -4,-2.6 -2,-0.2 -5,-0.2 22,-0.2 0.954 104.7 63.1 -65.9 -52.3 -15.3 -27.1 14.1 53 54 A F S < S- 0 0 8 -4,-2.8 19,-0.3 -5,-0.1 22,-0.2 -0.281 81.7-123.7 -75.0 159.1 -14.7 -25.0 17.3 54 55 A G S S- 0 0 40 20,-2.0 2,-0.3 17,-0.9 21,-0.2 0.877 90.4 -12.9 -63.9 -44.4 -14.8 -26.3 20.9 55 56 A S B +b 75 0B 52 19,-1.3 21,-2.0 22,-0.0 2,-0.3 -0.977 64.3 177.0-157.0 159.4 -17.4 -23.7 21.9 56 57 A T - 0 0 41 -2,-0.3 21,-0.2 19,-0.2 22,-0.2 -0.910 27.7-112.1-147.2 168.0 -19.1 -20.6 20.6 57 58 A G - 0 0 11 20,-0.7 -1,-0.1 -2,-0.3 3,-0.1 -0.031 55.4 -78.3 -83.2-162.6 -21.8 -18.0 21.4 58 59 A E S S+ 0 0 145 1,-0.2 2,-0.4 -2,-0.1 20,-0.1 0.906 112.7 32.3 -67.0 -40.8 -25.0 -17.7 19.4 59 60 A R + 0 0 182 2,-0.0 21,-1.2 18,-0.0 20,-0.7 -0.938 61.7 153.7-127.5 138.7 -23.5 -15.7 16.5 60 61 A L E -g 80 0C 12 -2,-0.4 2,-0.3 19,-0.2 21,-0.2 -0.972 14.4-168.7-157.6 156.6 -20.1 -15.7 14.8 61 62 A F E -g 81 0C 54 19,-1.8 21,-1.7 -2,-0.3 2,-0.4 -0.958 2.8-177.1-152.9 130.9 -18.7 -14.8 11.4 62 63 A I E -g 82 0C 1 -2,-0.3 21,-0.2 19,-0.2 4,-0.1 -0.994 22.6-133.6-132.9 125.4 -15.3 -15.4 9.8 63 64 A E - 0 0 13 19,-2.4 22,-0.5 -2,-0.4 23,-0.4 -0.664 45.8 -80.3 -74.7 125.2 -14.3 -14.3 6.3 64 65 A P S S+ 0 0 8 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.216 102.4 60.3 -57.4 154.1 -12.5 -16.9 4.2 65 66 A N + 0 0 19 19,-0.2 21,-1.0 21,-0.1 20,-0.6 0.635 67.0 162.5 -76.7 146.6 -9.8 -17.9 4.1 66 67 A F E -m 86 0D 1 19,-0.2 2,-0.3 -35,-0.2 21,-0.2 -0.946 13.2-171.7-120.7 148.7 -9.5 -19.3 7.6 67 68 A R E +m 87 0D 29 19,-1.0 21,-2.3 -2,-0.3 2,-0.3 -0.994 10.4 160.6-136.7 141.3 -6.9 -21.9 8.8 68 69 A C E -m 88 0D 1 -2,-0.3 21,-0.2 19,-0.2 -37,-0.1 -0.953 35.8-132.2-149.5 172.3 -6.5 -23.8 12.1 69 70 A D S S- 0 0 12 19,-0.9 -42,-0.3 -2,-0.3 -41,-0.2 0.879 95.4 -8.1 -91.6 -47.3 -4.7 -26.9 13.5 70 71 A Y - 0 0 8 -43,-0.1 2,-1.2 -44,-0.1 21,-0.1 0.662 69.6-150.8-124.1 -33.3 -7.4 -28.8 15.5 71 72 A G S > S+ 0 0 0 17,-0.2 3,-1.8 1,-0.1 -17,-0.9 -0.339 83.4 77.9 90.7 -54.2 -10.5 -26.6 15.7 72 73 A Y T 3 S+ 0 0 63 -2,-1.2 -1,-0.1 -19,-0.3 -19,-0.1 0.660 84.5 61.7 -67.7 -17.7 -11.7 -28.0 19.0 73 74 A N T 3 S+ 0 0 8 17,-0.3 21,-2.9 -19,-0.1 2,-0.5 0.458 85.3 94.0 -83.2 -3.8 -9.2 -26.0 21.0 74 75 A I E < + c 0 94B 0 -3,-1.8 -20,-2.0 19,-0.2 -19,-1.3 -0.815 51.2 177.8 -95.6 126.0 -10.8 -22.7 19.8 75 76 A H E -bc 55 95B 21 19,-2.9 21,-2.7 -2,-0.5 2,-0.3 -0.993 5.4-175.6-131.1 121.6 -13.4 -21.2 22.1 76 77 A V E - c 0 96B 8 -21,-2.0 21,-0.2 -2,-0.4 22,-0.1 -0.920 14.3-135.8-126.7 147.7 -15.1 -17.9 21.2 77 78 A G > - 0 0 11 20,-1.2 3,-0.8 19,-0.8 -20,-0.7 -0.070 51.9 -40.4 -86.9-169.6 -17.6 -15.6 22.9 78 79 A E T 3 S+ 0 0 76 1,-0.2 21,-3.3 -22,-0.2 22,-0.5 -0.130 118.9 2.7 -60.1 144.9 -20.6 -13.8 21.7 79 80 A N T 3 S- 0 0 75 -20,-0.7 -19,-0.2 19,-0.2 -1,-0.2 0.842 81.6-172.4 54.6 39.9 -20.7 -12.1 18.3 80 81 A F E < -g 60 0C 4 -21,-1.2 -19,-1.8 -3,-0.8 2,-0.4 -0.403 4.0-173.5 -65.7 136.3 -17.2 -13.2 17.3 81 82 A F E +gh 61 101C 48 19,-1.4 21,-1.8 -21,-0.2 2,-0.4 -0.998 10.9 176.2-132.5 131.0 -15.8 -11.6 14.1 82 83 A M E -gh 62 102C 0 -21,-1.7 -19,-2.4 -2,-0.4 21,-0.2 -0.988 21.2-142.1-131.9 125.1 -12.6 -12.5 12.2 83 84 A N - 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