==== 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 2ZOA . COMPND 2 MOLECULE: PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER AEROGENES; . AUTHOR D.L.OLLIS,C.J.JACKSON,P.D.CARR . 542 2 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 362 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 55 10.1 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 . 101 18.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 0 0 0 2 2 0 1 2 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 8 1 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 3 2 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 2 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 A M 0 0 41 0, 0.0 241,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.0 24.7 -10.2 38.5 2 2 A L E -A 241 0A 7 239,-0.2 41,-3.3 39,-0.1 42,-1.0 -0.979 360.0-177.0-128.1 119.8 24.4 -7.1 36.5 3 3 A L E -Ab 240 44A 0 237,-3.1 237,-3.0 -2,-0.4 2,-0.5 -0.973 18.2-150.8-113.3 130.5 21.0 -6.0 35.2 4 4 A A E -Ab 239 45A 0 40,-2.0 42,-3.0 -2,-0.4 2,-0.5 -0.888 21.4-164.4 -89.9 129.2 20.2 -3.0 33.0 5 5 A H E +Ab 238 46A 0 233,-2.8 233,-2.1 -2,-0.5 2,-0.3 -0.947 14.8 167.5-124.6 111.0 16.7 -1.9 33.8 6 6 A I E - b 0 47A 2 40,-3.0 42,-2.4 -2,-0.5 2,-0.3 -0.789 10.6-169.7-116.1 168.0 14.7 0.4 31.6 7 7 A S + 0 0 0 206,-0.3 208,-1.3 -2,-0.3 43,-0.1 -0.995 50.0 22.8-154.3 151.0 11.1 1.3 31.6 8 8 A D + 0 0 0 41,-2.1 208,-0.5 -2,-0.3 207,-0.4 0.929 51.7 167.4 63.0 55.9 8.2 3.0 29.8 9 9 A T - 0 0 0 40,-0.4 42,-0.2 205,-0.1 19,-0.1 0.776 21.3-162.0 -74.4 -29.7 9.6 2.9 26.3 10 10 A H - 0 0 2 40,-2.5 42,-0.3 42,-0.3 43,-0.2 0.773 11.8-161.6 52.5 39.1 6.2 3.9 24.8 11 11 A F B -k 52 0B 0 40,-2.5 42,-2.3 39,-0.1 43,-0.4 -0.080 2.4-156.7 -46.5 144.9 7.0 2.8 21.2 12 12 A R - 0 0 6 4,-0.2 50,-0.1 1,-0.2 6,-0.1 -0.659 32.5 -75.0-114.0 174.9 4.8 4.2 18.5 13 13 A S > - 0 0 18 -2,-0.2 3,-2.1 4,-0.1 -1,-0.2 -0.216 61.2 -83.4 -70.9 169.4 4.1 2.8 15.0 14 14 A R T 3 S+ 0 0 139 1,-0.3 -2,-0.1 44,-0.3 -1,-0.1 0.864 123.6 30.4 -50.7 -54.4 6.7 3.0 12.2 15 15 A G T 3 S+ 0 0 67 2,-0.0 -1,-0.3 0, 0.0 2,-0.3 0.440 105.8 99.7 -83.7 13.5 6.2 6.4 10.8 16 16 A E < - 0 0 96 -3,-2.1 9,-0.4 7,-0.0 2,-0.3 -0.657 52.8-153.7-114.6 151.8 5.0 8.1 14.0 17 17 A K > - 0 0 87 -2,-0.3 3,-1.7 6,-0.1 2,-0.3 -0.860 40.5 -96.6-111.6 150.5 6.2 10.2 16.9 18 18 A L B >> S-L 22 0C 0 4,-2.6 4,-2.4 -2,-0.3 3,-1.6 -0.539 111.2 -4.3 -65.2 124.8 4.7 10.2 20.4 19 19 A Y T 34 S- 0 0 20 520,-0.5 -1,-0.3 521,-0.3 521,-0.1 0.643 126.4 -73.6 62.3 14.6 2.2 13.2 20.6 20 20 A G T <4 S+ 0 0 61 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.289 130.9 49.0 85.8 -8.2 3.3 14.0 17.1 21 21 A F T <4 S+ 0 0 90 -3,-1.6 2,-0.7 1,-0.1 -2,-0.2 0.615 79.2 85.9-140.5 -18.2 6.7 15.4 18.1 22 22 A I B < -L 18 0C 6 -4,-2.4 -4,-2.6 1,-0.0 2,-2.1 -0.823 66.0-145.0 -95.4 112.3 8.7 13.2 20.6 23 23 A D > + 0 0 67 -2,-0.7 4,-2.8 -6,-0.2 5,-0.2 -0.474 33.0 162.6 -80.3 77.6 10.6 10.6 18.5 24 24 A V H > S+ 0 0 0 -2,-2.1 4,-2.9 1,-0.2 5,-0.2 0.829 71.1 56.6 -64.9 -36.9 10.4 7.7 20.9 25 25 A N H > S+ 0 0 17 -9,-0.4 4,-1.6 -3,-0.2 -1,-0.2 0.921 113.4 39.6 -64.6 -42.1 11.3 5.1 18.3 26 26 A A H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.926 115.5 51.2 -71.7 -45.3 14.6 6.9 17.6 27 27 A A H X S+ 0 0 33 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.910 112.7 46.7 -59.1 -40.8 15.3 7.7 21.2 28 28 A N H X S+ 0 0 3 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.844 109.0 54.0 -69.7 -33.5 14.7 4.0 22.2 29 29 A A H X S+ 0 0 37 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.868 109.5 49.3 -68.4 -33.8 16.9 2.8 19.3 30 30 A D H X S+ 0 0 63 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.945 110.0 50.4 -66.2 -49.9 19.7 5.1 20.7 31 31 A V H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.915 110.1 51.5 -51.9 -46.0 19.1 3.6 24.2 32 32 A V H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 39,-0.2 0.927 110.6 46.4 -61.7 -46.7 19.4 0.1 22.7 33 33 A S H X S+ 0 0 77 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.857 110.4 54.7 -64.5 -32.4 22.7 0.9 20.9 34 34 A Q H >X S+ 0 0 38 -4,-2.6 3,-0.6 2,-0.2 4,-0.5 0.939 109.6 47.1 -62.0 -46.3 23.9 2.5 24.2 35 35 A L H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.881 110.7 50.6 -63.6 -41.5 23.2 -0.7 26.1 36 36 A N H 3< S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.679 109.7 54.0 -67.5 -16.5 24.8 -2.8 23.4 37 37 A A H << S+ 0 0 76 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.509 76.4 125.0 -97.1 -7.3 27.9 -0.6 23.7 38 38 A L << - 0 0 30 -3,-0.9 3,-0.1 -4,-0.5 -3,-0.0 -0.232 53.9-148.1 -52.1 136.5 28.5 -0.8 27.5 39 39 A R S S+ 0 0 243 1,-0.2 2,-0.9 2,-0.1 -1,-0.1 0.854 96.7 54.5 -73.3 -37.8 32.0 -1.9 28.4 40 40 A E S S- 0 0 53 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.857 94.3-149.0 -96.9 97.6 30.6 -3.6 31.5 41 41 A R - 0 0 123 -2,-0.9 -39,-0.1 -3,-0.1 -5,-0.1 -0.529 5.0-129.6 -78.6 124.6 28.0 -5.8 29.9 42 42 A P - 0 0 7 0, 0.0 -39,-0.2 0, 0.0 3,-0.1 -0.254 9.3-133.2 -62.0 155.3 24.8 -6.7 31.8 43 43 A D S S- 0 0 77 -41,-3.3 2,-0.3 1,-0.3 -40,-0.2 0.723 87.0 -3.7 -77.9 -22.9 23.6 -10.3 32.1 44 44 A A E -b 3 0A 1 -42,-1.0 -40,-2.0 28,-0.2 2,-0.4 -0.975 63.5-127.9-165.9 154.5 20.1 -9.2 31.2 45 45 A V E -bc 4 74A 0 28,-2.3 30,-2.3 -2,-0.3 2,-0.5 -0.965 19.8-154.7-113.6 131.0 17.9 -6.2 30.3 46 46 A V E -bc 5 75A 0 -42,-3.0 -40,-3.0 -2,-0.4 2,-0.6 -0.903 5.6-167.5-102.9 130.0 14.6 -5.6 32.2 47 47 A V E -bc 6 76A 0 28,-3.0 30,-1.9 -2,-0.5 -40,-0.2 -0.902 8.6-160.8-115.0 101.7 11.9 -3.6 30.5 48 48 A S - 0 0 0 -42,-2.4 146,-0.4 -2,-0.6 -41,-0.2 0.283 45.0 -79.7 -80.8 19.1 9.4 -2.9 33.2 49 49 A G S S+ 0 0 0 -43,-0.1 -41,-2.1 145,-0.1 -40,-0.4 -0.492 92.9 90.4 122.0 179.4 6.3 -2.0 31.1 50 50 A D + 0 0 3 -42,-0.2 -40,-2.5 -2,-0.1 -39,-0.1 0.955 52.1 164.5 44.3 57.9 4.4 0.5 29.0 51 51 A I + 0 0 0 -42,-0.2 -40,-2.5 -43,-0.2 2,-0.3 0.910 61.5 26.4 -70.5 -43.5 6.4 -1.0 26.2 52 52 A V B S-k 11 0B 0 -42,-0.3 -42,-0.3 -43,-0.1 -40,-0.2 -0.748 74.7-134.8-114.8 165.4 4.1 0.5 23.6 53 53 A N S S+ 0 0 2 -42,-2.3 -41,-0.1 -2,-0.3 -1,-0.1 0.834 94.5 20.0 -87.4 -36.0 1.9 3.6 23.8 54 54 A a S S- 0 0 28 -43,-0.4 28,-0.1 2,-0.1 -1,-0.1 0.379 96.1-112.9-121.5 -0.3 -1.5 2.7 22.3 55 55 A G + 0 0 15 1,-0.2 31,-0.1 26,-0.2 27,-0.1 0.774 66.6 149.0 70.4 27.7 -1.7 -1.1 22.5 56 56 A R >> - 0 0 70 1,-0.1 4,-1.6 30,-0.0 3,-1.0 -0.757 56.5-126.2-101.4 143.3 -1.6 -1.4 18.7 57 57 A P H 3> S+ 0 0 45 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.850 109.8 55.1 -50.3 -43.3 -0.1 -4.2 16.6 58 58 A E H 3> S+ 0 0 89 1,-0.2 4,-1.1 2,-0.2 -44,-0.3 0.794 105.1 52.3 -67.2 -27.0 2.1 -1.9 14.5 59 59 A E H <> S+ 0 0 0 -3,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.895 108.5 51.7 -72.2 -39.4 3.7 -0.4 17.7 60 60 A Y H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.812 103.7 58.2 -65.6 -32.2 4.5 -4.0 18.8 61 61 A Q H X S+ 0 0 77 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.873 110.4 42.5 -60.8 -40.5 6.2 -4.6 15.4 62 62 A V H X S+ 0 0 5 -4,-1.1 4,-3.0 -3,-0.2 5,-0.3 0.913 113.8 51.8 -70.7 -46.6 8.5 -1.7 16.1 63 63 A A H X>S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.6 0.886 109.5 50.3 -57.5 -42.5 9.1 -2.8 19.8 64 64 A R H X5S+ 0 0 97 -4,-2.5 4,-1.1 3,-0.2 -1,-0.2 0.893 113.4 44.9 -66.6 -40.0 9.9 -6.3 18.6 65 65 A Q H <5S+ 0 0 120 -4,-1.5 4,-0.5 -5,-0.2 -2,-0.2 0.949 121.0 37.8 -66.8 -49.6 12.5 -5.0 16.1 66 66 A I H ><5S+ 0 0 14 -4,-3.0 3,-1.4 2,-0.2 4,-0.3 0.973 122.9 40.1 -72.0 -53.1 14.1 -2.5 18.4 67 67 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.3 -5,-0.3 -3,-0.2 0.861 111.9 61.4 -61.5 -31.0 14.0 -4.5 21.6 68 68 A G T 3< - 0 0 0 -2,-0.1 3,-1.5 -27,-0.1 -28,-0.1 -0.718 45.8 -86.7-117.6-179.5 2.0 -1.7 31.7 80 80 A N T 3 S+ 0 0 27 1,-0.3 45,-0.2 -2,-0.2 46,-0.1 0.746 126.4 60.5 -59.9 -24.1 -1.5 -0.2 31.4 81 81 A H T 3 S+ 0 0 43 46,-0.1 -1,-0.3 -29,-0.1 -26,-0.2 0.692 94.7 86.6 -75.9 -16.5 -0.5 1.1 27.9 82 82 A D S < S- 0 0 16 -3,-1.5 2,-0.6 -28,-0.1 -29,-0.0 -0.387 75.1-133.4 -80.5 155.5 0.1 -2.4 26.7 83 83 A D > - 0 0 67 1,-0.1 4,-3.0 -2,-0.1 5,-0.2 -0.972 15.0-145.6-107.1 119.4 -2.4 -4.9 25.3 84 84 A K H > S+ 0 0 30 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.895 95.1 44.9 -50.7 -54.3 -2.0 -8.3 27.0 85 85 A A H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 119.2 41.9 -59.9 -45.7 -2.8 -10.5 24.0 86 86 A L H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.844 110.5 57.0 -71.1 -36.7 -0.7 -8.5 21.6 87 87 A F H X>S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.6 0.949 112.3 42.9 -56.7 -49.9 2.1 -8.2 24.1 88 88 A L H X5S+ 0 0 24 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.942 113.7 51.0 -61.7 -49.0 2.2 -12.0 24.3 89 89 A E H <5S+ 0 0 129 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.896 124.2 26.4 -56.3 -45.2 1.9 -12.5 20.5 90 90 A Y H <5S+ 0 0 43 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.798 129.6 33.8 -90.7 -35.4 4.7 -10.1 19.6 91 91 A L H >X5S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.4 4,-1.0 0.664 92.6 81.4-104.9 -20.5 7.1 -10.1 22.7 92 92 A Q G >< S+ 0 0 73 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.757 71.7 68.6 -58.0 -27.1 9.8 -17.1 26.4 97 97 A Q G 3 S+ 0 0 95 1,-0.3 9,-0.3 8,-0.0 3,-0.1 0.535 73.2 87.0 -76.0 -2.6 9.2 -17.6 30.1 98 98 A L G < S- 0 0 5 -3,-2.2 8,-1.2 1,-0.2 2,-0.4 0.915 93.4-141.8 -53.9 -43.1 6.3 -15.2 30.2 99 99 A G < - 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