==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAY-08 2ZO9 . COMPND 2 MOLECULE: PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER AEROGENES; . AUTHOR C.J.JACKSON,P.D.CARR,D.L.OLLIS . 542 2 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 52 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 2 0 0 0 2 2 0 2 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 8 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 PARALLEL BRIDGES PER LADDER . 5 4 1 3 2 0 0 2 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 . 2 1 0 0 0 0 0 0 0 2 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 1 B M 0 0 42 0, 0.0 241,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.2 43.8 24.7 10.3 2 2 B L E -A 241 0A 8 239,-0.2 41,-3.3 39,-0.1 42,-1.0 -0.978 360.0-178.8-128.1 120.2 45.9 24.5 7.2 3 3 B L E -Ab 240 44A 0 237,-2.9 237,-2.9 -2,-0.4 2,-0.5 -0.974 19.5-150.2-117.5 129.7 47.2 21.0 6.1 4 4 B A E -Ab 239 45A 0 40,-2.0 42,-2.9 -2,-0.4 2,-0.5 -0.867 21.5-164.5 -90.1 132.8 49.4 20.2 3.1 5 5 B H E +Ab 238 46A 0 233,-2.3 233,-2.2 -2,-0.5 2,-0.3 -0.951 15.0 167.0-130.4 109.7 48.5 16.7 2.0 6 6 B I E - b 0 47A 2 40,-2.9 42,-1.8 -2,-0.5 2,-0.3 -0.761 10.8-171.1-114.1 164.9 50.8 14.8 -0.3 7 7 B S + 0 0 0 206,-0.3 208,-1.5 -2,-0.3 43,-0.1 -0.994 50.2 25.6-153.4 155.3 50.6 11.1 -1.2 8 8 B D + 0 0 0 41,-2.1 208,-0.5 -2,-0.3 207,-0.3 0.925 52.3 166.5 60.3 55.4 52.4 8.2 -2.9 9 9 B T - 0 0 0 40,-0.4 42,-0.2 205,-0.1 19,-0.1 0.806 21.4-162.7 -71.6 -32.8 56.0 9.5 -2.8 10 10 B H - 0 0 2 40,-2.6 42,-0.3 42,-0.3 43,-0.2 0.799 11.7-160.3 52.9 40.1 57.4 6.1 -3.7 11 11 B F B -k 52 0B 0 40,-2.8 42,-2.3 39,-0.1 43,-0.4 -0.116 3.1-156.5 -48.7 142.9 61.0 6.9 -2.6 12 12 B R - 0 0 5 4,-0.2 50,-0.1 40,-0.2 6,-0.1 -0.658 32.7 -77.5-112.6 172.2 63.8 4.7 -4.1 13 13 B S > - 0 0 17 -2,-0.2 3,-2.1 4,-0.1 -1,-0.2 -0.240 58.9 -85.8 -72.0 168.1 67.2 4.0 -2.6 14 14 B R T 3 S+ 0 0 121 1,-0.3 -1,-0.1 44,-0.3 -2,-0.1 0.837 123.7 34.5 -53.2 -48.3 70.0 6.6 -2.9 15 15 B G T 3 S+ 0 0 66 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.595 106.3 96.7 -77.6 1.0 71.4 5.9 -6.3 16 16 B E < - 0 0 96 -3,-2.1 2,-0.3 7,-0.0 9,-0.3 -0.568 52.9-155.4-112.8 152.3 68.1 4.8 -7.9 17 17 B K > - 0 0 86 -2,-0.2 3,-2.0 6,-0.1 2,-0.3 -0.889 41.1 -96.8-113.1 148.8 65.3 6.0 -10.1 18 18 B L B >> S-L 22 0C 0 4,-2.6 4,-2.5 -2,-0.3 3,-1.7 -0.505 111.8 -3.9 -64.7 125.2 61.7 4.6 -10.1 19 19 B Y T 34 S- 0 0 22 520,-0.5 -1,-0.3 521,-0.4 521,-0.1 0.589 126.1 -74.5 61.9 13.0 61.6 2.1 -13.1 20 20 B G T <4 S+ 0 0 59 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.338 130.7 50.1 85.1 -6.1 65.1 3.3 -13.8 21 21 B F T <4 S+ 0 0 91 -3,-1.7 2,-0.8 1,-0.2 -2,-0.2 0.564 79.0 86.6-141.9 -14.5 64.0 6.7 -15.2 22 22 B I B < -L 18 0C 5 -4,-2.5 -4,-2.6 1,-0.0 2,-2.2 -0.857 65.3-146.5 -98.8 110.4 61.7 8.6 -13.0 23 23 B D > + 0 0 68 -2,-0.8 4,-2.8 -6,-0.2 5,-0.2 -0.469 32.2 162.4 -77.4 75.4 63.7 10.6 -10.5 24 24 B V H > S+ 0 0 0 -2,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.802 71.2 56.5 -63.6 -33.4 61.2 10.3 -7.6 25 25 B N H > S+ 0 0 17 -9,-0.3 4,-1.5 -3,-0.2 -1,-0.2 0.897 113.3 39.4 -69.1 -41.7 63.9 11.3 -5.0 26 26 B A H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.913 115.7 51.7 -70.3 -46.4 64.6 14.5 -6.8 27 27 B A H X S+ 0 0 31 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.915 113.3 45.7 -58.0 -42.5 61.0 15.2 -7.6 28 28 B N H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.828 109.9 53.0 -68.9 -34.3 60.1 14.7 -3.9 29 29 B A H X S+ 0 0 37 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.888 110.0 49.5 -70.6 -36.0 63.0 16.9 -2.7 30 30 B D H X S+ 0 0 66 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.963 110.4 50.2 -59.5 -50.8 61.7 19.6 -5.0 31 31 B V H X S+ 0 0 5 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.904 109.9 51.6 -55.0 -43.1 58.1 19.1 -3.5 32 32 B V H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.933 109.9 47.0 -63.1 -45.2 59.6 19.4 -0.0 33 33 B S H X S+ 0 0 79 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.864 110.0 55.3 -66.6 -31.9 61.4 22.6 -0.8 34 34 B Q H >X S+ 0 0 37 -4,-2.7 4,-0.5 2,-0.2 3,-0.5 0.927 108.7 47.9 -61.2 -45.1 58.1 23.9 -2.4 35 35 B L H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.905 111.2 49.0 -65.0 -42.3 56.2 23.1 0.8 36 36 B N H 3< S+ 0 0 37 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.656 109.6 54.7 -68.6 -15.6 58.9 24.9 3.0 37 37 B A H << S+ 0 0 74 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.507 77.9 128.2 -93.9 -7.7 58.7 27.9 0.6 38 38 B L << - 0 0 30 -3,-1.0 3,-0.1 -4,-0.5 -3,-0.0 -0.183 52.7-149.9 -48.9 133.3 54.9 28.4 1.0 39 39 B R S S+ 0 0 233 1,-0.2 2,-0.8 2,-0.0 -1,-0.1 0.880 96.4 50.2 -69.1 -41.8 53.9 32.0 1.9 40 40 B E S S- 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.881 95.6-147.9 -98.9 100.8 50.8 30.6 3.7 41 41 B R - 0 0 128 -2,-0.8 -39,-0.1 -3,-0.1 -5,-0.1 -0.564 4.7-128.6 -82.4 124.6 52.4 28.0 5.9 42 42 B P - 0 0 6 0, 0.0 -39,-0.2 0, 0.0 3,-0.1 -0.255 9.7-133.4 -59.4 154.1 50.5 24.8 6.8 43 43 B D S S- 0 0 77 -41,-3.3 2,-0.3 1,-0.3 -40,-0.2 0.727 87.3 -2.6 -76.5 -24.3 50.2 23.7 10.5 44 44 B A E -b 3 0A 2 -42,-1.0 -40,-2.0 28,-0.2 2,-0.4 -0.983 64.2-128.1-162.8 156.0 51.2 20.1 9.4 45 45 B V E -bc 4 74A 0 28,-2.4 30,-2.3 -2,-0.3 2,-0.4 -0.958 20.3-156.4-113.1 134.1 52.0 18.0 6.4 46 46 B V E -bc 5 75A 0 -42,-2.9 -40,-2.9 -2,-0.4 2,-0.5 -0.905 7.1-169.3-108.1 135.6 50.2 14.6 5.8 47 47 B V E -bc 6 76A 0 28,-2.7 30,-2.0 -2,-0.4 2,-1.6 -0.914 10.6-157.4-123.9 103.5 51.6 11.8 3.7 48 48 B S E - c 0 77A 0 -42,-1.8 146,-0.3 -2,-0.5 147,-0.2 -0.254 48.0 -79.2 -84.5 51.8 48.9 9.2 3.0 49 49 B G S S+ 0 0 0 -2,-1.6 -41,-2.1 28,-0.8 -40,-0.4 -0.012 93.9 91.5 89.4 178.6 51.1 6.2 2.3 50 50 B D + 0 0 3 -42,-0.2 -40,-2.6 -43,-0.1 -39,-0.1 0.920 50.2 160.6 44.1 55.4 53.2 4.4 -0.3 51 51 B I + 0 0 0 -42,-0.2 -40,-2.8 -43,-0.2 2,-0.3 0.919 62.3 26.9 -69.3 -44.4 56.1 6.3 1.1 52 52 B V B S-k 11 0B 0 -42,-0.3 -42,-0.3 -43,-0.1 -40,-0.2 -0.744 74.8-135.4-112.2 164.0 58.7 4.0 -0.4 53 53 B N S S+ 0 0 2 -42,-2.3 -41,-0.1 -2,-0.3 -1,-0.1 0.842 95.4 21.0 -87.7 -34.1 58.4 1.9 -3.5 54 54 B a S S- 0 0 29 -43,-0.4 28,-0.1 2,-0.1 -1,-0.1 0.382 96.8-113.7-122.2 0.3 59.9 -1.5 -2.5 55 55 B G + 0 0 15 1,-0.2 31,-0.1 26,-0.2 27,-0.1 0.812 66.7 150.3 67.5 30.6 59.6 -1.6 1.3 56 56 B R >> - 0 0 81 1,-0.1 4,-1.7 30,-0.0 3,-0.7 -0.754 55.9-127.0-100.9 143.8 63.5 -1.6 1.5 57 57 B P H 3> S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.849 109.5 56.0 -54.1 -40.2 65.6 -0.1 4.4 58 58 B E H 3> S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -44,-0.3 0.828 105.8 51.1 -67.4 -30.7 67.7 2.0 2.0 59 59 B E H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.892 108.3 52.4 -69.3 -40.6 64.5 3.7 0.6 60 60 B Y H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.842 104.2 57.0 -63.0 -35.4 63.4 4.5 4.1 61 61 B Q H X S+ 0 0 57 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.893 110.6 43.3 -58.5 -43.6 66.8 6.1 4.7 62 62 B V H X S+ 0 0 4 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.938 114.1 50.3 -65.3 -50.9 66.1 8.4 1.8 63 63 B A H X>S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.6 0.894 110.0 51.6 -53.4 -45.6 62.5 9.0 2.9 64 64 B R H X5S+ 0 0 114 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.908 113.2 44.3 -61.1 -44.3 63.7 9.9 6.4 65 65 B Q H <5S+ 0 0 117 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.925 120.5 38.5 -67.4 -45.5 66.2 12.4 5.1 66 66 B I H ><5S+ 0 0 15 -4,-2.9 3,-1.3 2,-0.2 4,-0.3 0.964 122.2 40.1 -76.6 -50.5 63.9 14.1 2.6 67 67 B L H ><5S+ 0 0 1 -4,-2.7 3,-1.3 -5,-0.3 -3,-0.2 0.844 111.8 60.6 -62.7 -32.5 60.6 14.0 4.6 68 68 B G T 3< - 0 0 0 -27,-0.1 3,-1.6 -2,-0.1 -30,-0.1 -0.706 46.3 -82.5-121.6-177.0 50.5 2.0 1.9 80 80 B N T 3 S+ 0 0 27 1,-0.3 45,-0.2 -2,-0.2 46,-0.1 0.759 127.0 59.6 -59.9 -23.3 50.8 -1.4 0.3 81 81 B H T 3 S+ 0 0 41 46,-0.1 -1,-0.3 -29,-0.1 -26,-0.2 0.651 94.4 87.3 -79.3 -13.2 54.3 -0.5 -1.0 82 82 B D S < S- 0 0 16 -3,-1.6 2,-0.5 -28,-0.1 -29,-0.0 -0.429 74.3-133.1 -83.3 154.7 55.5 0.1 2.6 83 83 B D > - 0 0 67 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.969 15.0-145.4-103.4 123.6 56.9 -2.4 5.1 84 84 B K H > S+ 0 0 32 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.900 95.7 45.0 -54.4 -51.7 55.2 -2.0 8.5 85 85 B A H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 119.2 41.7 -62.0 -45.6 58.3 -2.8 10.7 86 86 B L H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 5,-0.4 0.835 111.0 56.7 -71.6 -35.0 60.7 -0.7 8.7 87 87 B F H X>S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.6 0.959 112.7 42.4 -59.5 -50.8 58.1 2.1 8.3 88 88 B L H X5S+ 0 0 26 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.926 114.5 50.2 -61.0 -47.1 57.9 2.2 12.2 89 89 B E H <5S+ 0 0 125 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.908 124.0 27.8 -59.5 -44.7 61.7 1.9 12.6 90 90 B Y H <5S+ 0 0 26 -4,-2.7 -2,-0.2 -5,-0.1 -1,-0.2 0.820 130.3 31.5 -89.9 -35.1 62.6 4.7 10.2 91 91 B L H >X5S+ 0 0 0 -4,-2.8 3,-1.9 -5,-0.4 4,-1.0 0.666 92.2 83.0-106.8 -19.9 59.6 7.1 10.3 92 92 B Q G >< S+ 0 0 76 0, 0.0 3,-1.2 0, 0.0 -4,-0.1 0.768 71.3 73.4 -57.1 -26.4 55.8 9.8 17.2 97 97 B Q G 3 S+ 0 0 93 1,-0.3 9,-0.3 -5,-0.1 11,-0.1 0.587 74.2 82.9 -66.0 -12.0 52.0 9.4 17.6 98 98 B L G < S- 0 0 5 -3,-2.1 8,-1.1 1,-0.2 2,-0.3 0.922 93.2-141.8 -55.5 -45.0 52.1 6.3 15.4 99 99 B G < - 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