==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JAN-13 4ISX . COMPND 2 MOLECULE: MALTOSE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR K.TAN,G.GU,S.PETERSON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR S . 371 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19674.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 283 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 24.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 0 0.0 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 . 40 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 1 2 0 0 0 0 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 15 9 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 . 0 4 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 2 2 2 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 0 A A 0 0 154 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.1 -2.3 -2.8 -33.3 2 1 A X - 0 0 78 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.461 360.0-126.4 -82.4 152.1 -2.9 -4.9 -36.4 3 2 A T > - 0 0 71 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.464 31.8-104.2 -85.2 168.8 -3.1 -3.5 -39.9 4 3 A E H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.868 123.9 53.6 -62.6 -36.0 -6.1 -4.3 -42.1 5 4 A K H > S+ 0 0 57 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 109.4 48.6 -64.2 -38.4 -3.9 -6.8 -44.0 6 5 A E H > S+ 0 0 94 2,-0.2 4,-1.4 1,-0.2 6,-0.2 0.896 109.7 50.3 -70.0 -41.8 -3.1 -8.5 -40.8 7 6 A K H <>S+ 0 0 62 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.893 110.2 53.5 -59.7 -40.2 -6.7 -8.7 -39.6 8 7 A X H ><5S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.2 -2,-0.2 0.947 109.7 44.2 -59.7 -53.6 -7.5 -10.2 -43.0 9 8 A L H 3<5S+ 0 0 79 -4,-2.1 85,-0.2 1,-0.3 -1,-0.2 0.747 110.9 56.4 -65.9 -24.8 -5.0 -13.0 -42.8 10 9 A S T 3<5S- 0 0 56 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.332 117.0-108.9 -93.5 7.0 -5.9 -13.8 -39.2 11 10 A G T < 5S+ 0 0 28 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.580 77.7 128.7 79.0 9.9 -9.6 -14.3 -40.0 12 11 A K < - 0 0 113 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.339 69.2 -77.3 -89.8 175.1 -10.7 -11.1 -38.3 13 12 A G + 0 0 19 114,-0.1 2,-0.3 -2,-0.1 114,-0.2 -0.581 57.3 168.9 -76.3 130.7 -12.8 -8.2 -39.5 14 13 A Y E -A 126 0A 1 112,-2.2 112,-1.5 -2,-0.3 2,-0.7 -0.932 38.5-113.8-138.7 160.8 -11.1 -5.9 -41.9 15 14 A Y E > -A 125 0A 95 -2,-0.3 3,-1.3 110,-0.2 6,-0.2 -0.883 19.6-158.2 -97.4 115.4 -11.9 -3.1 -44.3 16 15 A A T 3 S+ 0 0 18 108,-0.8 -1,-0.1 -2,-0.7 109,-0.1 0.738 86.1 70.6 -64.9 -24.8 -11.2 -4.1 -47.9 17 16 A N T 3 + 0 0 124 107,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.282 68.4 135.5 -80.8 13.9 -10.9 -0.5 -49.1 18 17 A D <> - 0 0 46 -3,-1.3 4,-2.7 1,-0.1 5,-0.2 -0.405 64.1-125.0 -58.7 135.2 -7.6 -0.3 -47.2 19 18 A E H > S+ 0 0 144 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.848 108.1 49.3 -57.5 -40.4 -5.0 1.4 -49.4 20 19 A L H > S+ 0 0 94 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.921 114.2 45.2 -65.5 -44.4 -2.5 -1.3 -49.2 21 20 A L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.866 110.0 54.5 -68.9 -38.0 -5.0 -4.0 -50.0 22 21 A V H X S+ 0 0 45 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.897 111.9 44.6 -62.4 -39.3 -6.5 -2.1 -52.9 23 22 A K H X S+ 0 0 118 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.725 111.5 52.4 -81.3 -20.8 -3.1 -1.7 -54.5 24 23 A E H X S+ 0 0 39 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.851 109.2 50.3 -75.7 -37.1 -2.3 -5.4 -53.8 25 24 A R H X S+ 0 0 52 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.812 109.3 52.5 -67.2 -30.4 -5.6 -6.2 -55.5 26 25 A E H X S+ 0 0 109 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.904 107.6 50.2 -69.1 -43.7 -4.5 -4.0 -58.4 27 26 A Y H X S+ 0 0 127 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.869 109.9 52.5 -61.3 -37.2 -1.1 -5.8 -58.7 28 27 A C H X S+ 0 0 1 -4,-1.8 4,-2.4 42,-0.3 -1,-0.2 0.919 107.3 50.1 -65.2 -45.0 -3.0 -9.1 -58.8 29 28 A K H X S+ 0 0 120 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.778 105.6 58.3 -67.8 -25.7 -5.3 -8.0 -61.6 30 29 A K H X S+ 0 0 137 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.930 111.0 40.4 -68.1 -45.2 -2.3 -6.9 -63.7 31 30 A L H X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.872 114.9 53.6 -68.8 -38.3 -0.8 -10.3 -63.6 32 31 A T H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 35,-0.3 0.923 109.6 47.8 -60.6 -46.0 -4.2 -11.9 -64.1 33 32 A R H X S+ 0 0 172 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.916 111.8 49.5 -61.9 -45.0 -4.8 -9.7 -67.2 34 33 A L H < S+ 0 0 79 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.881 112.7 49.0 -60.5 -39.1 -1.3 -10.6 -68.5 35 34 A F H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.924 112.0 46.4 -66.2 -46.0 -2.1 -14.3 -67.9 36 35 A N H 3< S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.611 109.6 55.0 -77.6 -11.8 -5.5 -14.2 -69.6 37 36 A N T 3< S+ 0 0 108 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.504 82.9 112.8 -98.1 -6.0 -4.2 -12.3 -72.6 38 37 A T S < S- 0 0 7 -3,-0.9 2,-0.2 -4,-0.5 -3,-0.0 -0.193 71.9-107.9 -62.5 156.8 -1.5 -14.8 -73.4 39 38 A L > - 0 0 94 1,-0.1 3,-2.5 2,-0.0 -1,-0.1 -0.557 31.2-104.0 -89.4 157.1 -1.7 -16.9 -76.6 40 39 A E T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.599 119.0 48.7 -59.3 -14.3 -2.5 -20.6 -76.6 41 40 A D T 3 S+ 0 0 112 1,-0.1 2,-0.7 2,-0.0 3,-0.3 0.188 82.2 98.0-111.4 15.3 1.1 -21.6 -77.2 42 41 A E <> + 0 0 52 -3,-2.5 4,-2.0 1,-0.2 5,-0.2 -0.478 35.3 142.7-102.1 61.7 2.7 -19.4 -74.6 43 42 A Y H > S+ 0 0 147 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.888 70.7 54.3 -65.5 -42.3 3.1 -22.0 -71.8 44 43 A E H > S+ 0 0 162 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.907 109.7 47.6 -58.8 -44.5 6.5 -20.6 -70.7 45 44 A K H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 112.0 48.2 -65.4 -48.2 5.0 -17.1 -70.2 46 45 A R H X S+ 0 0 24 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.900 110.0 53.3 -59.3 -42.3 1.9 -18.4 -68.3 47 46 A E H X S+ 0 0 54 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.888 108.7 49.1 -61.9 -40.5 4.1 -20.5 -66.1 48 47 A D H X S+ 0 0 84 -4,-1.9 4,-1.0 1,-0.2 3,-0.3 0.927 110.1 51.3 -63.6 -45.6 6.3 -17.5 -65.2 49 48 A I H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 3,-0.5 0.875 107.0 53.7 -59.8 -40.0 3.3 -15.4 -64.4 50 49 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.833 104.8 54.8 -64.9 -32.4 1.9 -18.1 -62.1 51 50 A R H < S+ 0 0 103 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.727 113.1 41.9 -76.0 -20.8 5.2 -18.1 -60.2 52 51 A Q H < S+ 0 0 111 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.770 120.4 44.6 -87.6 -31.3 4.9 -14.4 -59.6 53 52 A L H < S+ 0 0 5 -4,-2.2 22,-0.2 -5,-0.2 -2,-0.2 0.970 103.7 63.2 -77.3 -59.3 1.1 -14.6 -58.8 54 53 A F S < S- 0 0 8 -4,-2.7 19,-0.3 -5,-0.1 3,-0.2 -0.264 77.8-127.2 -74.5 155.6 0.8 -17.6 -56.5 55 54 A G S S+ 0 0 36 20,-2.3 2,-0.3 17,-1.0 21,-0.2 0.900 93.9 0.3 -65.1 -43.2 2.3 -17.9 -53.1 56 55 A S B -b 76 0B 53 19,-1.2 21,-2.6 -6,-0.1 2,-0.4 -0.982 66.2-170.4-152.0 138.5 4.0 -21.2 -54.0 57 56 A V - 0 0 30 -2,-0.3 21,-0.1 -3,-0.2 22,-0.1 -0.975 16.4-133.0-131.1 142.7 4.2 -23.4 -57.1 58 57 A G - 0 0 11 20,-1.0 21,-0.1 -2,-0.4 20,-0.1 0.040 43.5 -82.7 -76.6-168.4 5.5 -26.9 -57.8 59 58 A K S S+ 0 0 155 1,-0.1 2,-0.4 0, 0.0 20,-0.1 0.938 114.2 30.8 -63.4 -48.8 7.7 -28.0 -60.6 60 59 A Q + 0 0 88 2,-0.0 21,-1.1 18,-0.0 20,-0.5 -0.885 68.6 164.3-117.9 145.5 4.9 -28.4 -63.1 61 60 A I E -g 81 0C 13 -2,-0.4 2,-0.4 19,-0.2 21,-0.2 -0.959 15.4-171.8-160.5 137.9 1.6 -26.5 -63.4 62 61 A N E +g 82 0C 48 19,-2.4 21,-2.5 -2,-0.3 2,-0.5 -0.902 7.5 174.0-138.2 111.2 -1.2 -25.9 -65.9 63 62 A V E -g 83 0C 4 -2,-0.4 21,-0.2 19,-0.2 3,-0.1 -0.957 27.0-134.6-116.2 116.2 -4.0 -23.4 -65.4 64 63 A E - 0 0 59 19,-3.6 23,-0.3 -2,-0.5 22,-0.1 -0.260 42.8 -72.3 -70.0 160.0 -6.4 -22.9 -68.3 65 64 A Q S S+ 0 0 50 20,-0.1 21,-1.7 21,-0.1 -1,-0.1 0.064 102.9 43.1 -72.3 167.1 -7.2 -19.4 -69.3 66 65 A N + 0 0 64 -34,-0.2 2,-0.3 1,-0.2 21,-0.2 0.984 69.4 179.5 58.5 75.7 -9.4 -16.7 -67.6 67 66 A I - 0 0 1 -35,-0.3 2,-0.5 19,-0.2 21,-0.2 -0.796 14.1-151.9 -99.1 146.1 -8.2 -17.2 -64.0 68 67 A R E +m 88 0D 123 19,-1.7 21,-3.8 -2,-0.3 2,-0.3 -0.980 23.3 157.8-124.8 124.3 -9.7 -15.0 -61.3 69 68 A C E -m 89 0D 10 -2,-0.5 21,-0.2 19,-0.2 -37,-0.1 -0.900 33.5-152.9-135.3 165.3 -7.9 -14.1 -58.1 70 69 A D S S- 0 0 35 19,-0.8 -42,-0.3 -2,-0.3 -41,-0.2 0.786 92.6 -13.1-102.6 -47.3 -8.0 -11.4 -55.4 71 70 A Y S S- 0 0 7 -43,-0.1 2,-0.9 -44,-0.1 21,-0.1 0.634 70.4-152.3-127.3 -34.1 -4.4 -11.3 -54.1 72 71 A G S > S+ 0 0 0 17,-0.2 3,-1.9 1,-0.1 -17,-1.0 -0.255 79.0 82.9 88.8 -48.1 -2.6 -14.4 -55.5 73 72 A Y T 3 S+ 0 0 63 -2,-0.9 -1,-0.1 1,-0.3 -19,-0.1 0.660 83.3 61.8 -69.1 -15.3 -0.0 -14.7 -52.7 74 73 A N T 3 S+ 0 0 10 17,-0.2 21,-3.1 19,-0.1 2,-0.7 0.443 84.2 94.8 -86.5 -1.4 -2.5 -16.6 -50.5 75 74 A I E < - c 0 95B 0 -3,-1.9 -20,-2.3 -22,-0.2 -19,-1.2 -0.837 53.5-179.6 -95.8 112.8 -2.7 -19.4 -53.1 76 75 A H E -bc 56 96B 42 19,-2.2 21,-3.7 -2,-0.7 2,-0.3 -0.956 6.3-176.0-118.0 119.6 -0.3 -22.2 -52.3 77 76 A V E - c 0 97B 7 -21,-2.6 21,-0.2 -2,-0.5 22,-0.1 -0.891 12.1-144.0-125.2 144.1 -0.2 -25.1 -54.7 78 77 A G > - 0 0 12 20,-1.2 -20,-1.0 19,-0.6 3,-0.6 0.148 46.6 -43.1 -87.6-156.8 1.6 -28.4 -54.8 79 78 A E T 3 S+ 0 0 53 1,-0.2 21,-2.7 -22,-0.1 22,-0.5 -0.402 115.8 6.1 -77.4 149.0 3.1 -30.6 -57.6 80 79 A N T 3 S- 0 0 80 -20,-0.5 -1,-0.2 1,-0.2 -19,-0.2 0.832 83.2-177.1 51.4 42.5 1.4 -31.2 -60.9 81 80 A F E < -g 61 0C 3 -21,-1.1 -19,-2.4 -3,-0.6 2,-0.4 -0.457 7.3-168.0 -73.2 139.7 -1.4 -28.8 -60.2 82 81 A F E +gh 62 102C 63 19,-2.1 21,-4.0 -21,-0.2 2,-0.4 -0.989 12.3 176.0-132.7 126.9 -4.2 -28.5 -62.8 83 82 A A E -gh 63 103C 0 -21,-2.5 -19,-3.6 -2,-0.4 21,-0.2 -0.983 17.8-153.4-128.6 120.8 -6.9 -25.9 -63.1 84 83 A N > - 0 0 39 19,-2.3 3,-0.6 -2,-0.4 20,-0.1 0.088 45.5 -31.9 -79.4-165.5 -9.2 -26.0 -66.1 85 84 A Y T 3 S- 0 0 125 1,-0.2 21,-2.8 20,-0.1 22,-0.3 -0.158 116.7 -4.2 -55.6 133.8 -11.2 -23.2 -67.7 86 85 A D T 3 S+ 0 0 84 -21,-1.7 2,-0.3 19,-0.2 -1,-0.2 0.847 75.6 170.1 58.1 48.1 -12.6 -20.2 -65.7 87 86 A C < - 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