==== 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 28-AUG-06 2DXN . 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) . 19975.0 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 . 60 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 12.7 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 . 51 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.6 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 0 5 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 6 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 2 3 1 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 A M 0 0 38 0, 0.0 241,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.9 51.3 16.3 2.8 2 2 A L E -A 241 0A 7 239,-0.2 41,-3.5 39,-0.1 42,-1.1 -0.994 360.0-174.4-121.2 122.9 48.2 16.5 4.8 3 3 A L E -Ab 240 44A 0 237,-3.2 237,-2.8 -2,-0.4 2,-0.6 -0.956 17.2-153.4-116.7 133.1 47.1 20.0 6.0 4 4 A A E -Ab 239 45A 0 40,-2.1 42,-2.7 -2,-0.4 2,-0.6 -0.939 20.6-166.6-101.2 119.1 44.2 20.8 8.3 5 5 A H E +Ab 238 46A 0 233,-3.1 233,-2.4 -2,-0.6 2,-0.3 -0.907 14.6 165.3-118.5 106.2 43.1 24.3 7.3 6 6 A I E - b 0 47A 3 40,-2.8 42,-1.6 -2,-0.6 2,-0.3 -0.738 11.5-172.0-110.6 166.9 40.8 26.2 9.6 7 7 A S + 0 0 1 206,-0.3 208,-1.5 -2,-0.3 40,-0.0 -0.981 49.1 25.8-153.8 159.1 40.0 29.9 9.6 8 8 A D + 0 0 0 -2,-0.3 208,-0.5 206,-0.2 207,-0.4 0.897 51.7 166.4 53.7 58.6 38.3 32.8 11.3 9 9 A T - 0 0 0 205,-0.1 42,-0.2 206,-0.1 19,-0.2 0.784 22.0-162.6 -74.6 -31.6 38.4 31.5 14.9 10 10 A H - 0 0 3 40,-2.5 42,-0.3 42,-0.2 43,-0.2 0.841 11.5-159.3 51.6 47.4 37.4 34.9 16.3 11 11 A F B -k 52 0B 0 40,-2.6 42,-2.7 39,-0.2 43,-0.4 -0.182 5.4-159.1 -56.4 143.9 38.5 34.2 19.9 12 12 A R - 0 0 9 4,-0.2 50,-0.1 40,-0.2 51,-0.1 -0.667 32.8 -78.0-111.1 175.7 37.1 36.4 22.7 13 13 A S > - 0 0 15 -2,-0.2 3,-0.8 4,-0.1 -1,-0.2 -0.182 55.4 -86.8 -73.0 171.8 38.5 36.9 26.1 14 14 A R T 3 S+ 0 0 156 44,-0.3 -2,-0.1 1,-0.3 -1,-0.1 0.866 123.6 36.9 -52.2 -51.5 38.2 34.4 29.0 15 15 A G T 3 S+ 0 0 65 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 0.848 106.9 86.9 -63.2 -30.0 34.9 35.5 30.4 16 16 A E < - 0 0 100 -3,-0.8 2,-0.3 1,-0.0 9,-0.3 -0.127 53.3-154.0-100.9 162.8 33.2 36.4 27.1 17 17 A K > - 0 0 93 6,-0.1 3,-2.1 7,-0.1 6,-0.2 -0.936 43.3 -90.8-122.5 150.5 31.2 35.1 24.1 18 18 A L B >> S-L 22 0C 0 4,-2.4 4,-2.6 -2,-0.3 3,-2.0 -0.403 112.5 -7.6 -57.6 128.1 31.0 36.5 20.6 19 19 A Y T 34 S- 0 0 20 520,-0.4 -1,-0.3 521,-0.4 521,-0.1 0.647 125.4 -72.3 56.8 14.7 28.1 39.0 20.5 20 20 A G T <4 S+ 0 0 61 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.316 131.2 48.5 86.1 -8.4 27.3 37.8 24.0 21 21 A F T <4 S+ 0 0 94 -3,-2.0 2,-0.7 1,-0.1 -2,-0.2 0.548 79.9 86.8-141.2 -14.3 25.9 34.4 23.0 22 22 A I B < -L 18 0C 6 -4,-2.6 -4,-2.4 1,-0.1 2,-2.0 -0.850 65.1-146.6 -97.7 117.8 28.1 32.5 20.6 23 23 A D > + 0 0 68 -2,-0.7 4,-2.9 -6,-0.2 5,-0.2 -0.460 31.3 163.3 -85.6 71.7 30.6 30.6 22.6 24 24 A V H > S+ 0 0 0 -2,-2.0 4,-3.3 1,-0.2 5,-0.3 0.849 72.1 56.5 -56.1 -40.5 33.6 30.8 20.2 25 25 A N H > S+ 0 0 16 -9,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.966 111.9 41.8 -60.0 -50.4 36.1 29.8 22.8 26 26 A A H > S+ 0 0 47 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.950 115.2 50.7 -58.3 -50.7 34.2 26.5 23.6 27 27 A A H X S+ 0 0 31 -4,-2.9 4,-3.2 1,-0.2 -2,-0.2 0.930 113.3 45.3 -57.6 -46.6 33.6 25.9 19.9 28 28 A N H X S+ 0 0 2 -4,-3.3 4,-3.2 2,-0.2 -1,-0.2 0.865 110.2 53.4 -63.9 -36.5 37.3 26.4 19.0 29 29 A A H X S+ 0 0 40 -4,-2.4 4,-2.8 -5,-0.3 5,-0.2 0.921 111.4 47.7 -63.2 -39.9 38.4 24.2 22.0 30 30 A D H X S+ 0 0 64 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.973 111.0 49.8 -63.4 -54.3 36.1 21.5 20.6 31 31 A V H X S+ 0 0 6 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.922 111.7 50.1 -48.1 -50.1 37.5 22.0 17.1 32 32 A V H X S+ 0 0 4 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.961 112.6 44.5 -55.5 -53.7 41.0 21.7 18.5 33 33 A S H < S+ 0 0 81 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.853 112.9 53.8 -62.0 -32.3 40.3 18.5 20.4 34 34 A Q H >< S+ 0 0 39 -4,-2.9 3,-1.3 -5,-0.2 4,-0.3 0.953 109.4 48.2 -62.6 -50.8 38.5 17.3 17.3 35 35 A L H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.3 -2,-0.2 0.930 110.3 48.1 -59.8 -50.2 41.6 18.0 15.2 36 36 A N T 3< S+ 0 0 30 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.494 106.3 60.8 -81.8 11.6 44.1 16.3 17.4 37 37 A A T < S+ 0 0 70 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.387 75.7 126.1-103.6 -1.8 41.9 13.3 17.7 38 38 A L < - 0 0 29 -3,-1.8 3,-0.1 -4,-0.3 -3,-0.0 -0.311 57.7-143.5 -61.2 137.6 41.9 12.5 13.9 39 39 A R S S+ 0 0 236 1,-0.2 2,-0.8 2,-0.1 -1,-0.1 0.925 99.0 50.0 -62.9 -50.1 43.0 9.0 12.9 40 40 A E S S- 0 0 33 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.859 94.2-148.9 -92.7 106.3 44.7 10.3 9.8 41 41 A R - 0 0 118 -2,-0.8 -39,-0.1 -3,-0.1 -5,-0.1 -0.606 5.5-127.4 -87.6 129.7 46.9 13.1 11.3 42 42 A P - 0 0 5 0, 0.0 -39,-0.2 0, 0.0 3,-0.1 -0.253 12.3-131.1 -65.9 160.1 47.8 16.2 9.4 43 43 A D S S- 0 0 81 -41,-3.5 2,-0.3 1,-0.3 -40,-0.2 0.754 86.2 -6.8 -81.6 -24.8 51.4 17.3 9.1 44 44 A A E -b 3 0A 1 -42,-1.1 -40,-2.1 28,-0.1 2,-0.5 -0.975 65.9-121.4-161.8 164.7 50.5 20.8 10.1 45 45 A V E -bc 4 74A 0 28,-2.4 30,-2.6 -2,-0.3 2,-0.4 -0.971 18.8-156.3-120.3 127.3 47.5 23.1 10.8 46 46 A V E -bc 5 75A 0 -42,-2.7 -40,-2.8 -2,-0.5 2,-0.4 -0.835 7.3-173.2-100.2 136.4 46.9 26.3 9.0 47 47 A V E +bc 6 76A 0 28,-2.6 30,-2.3 -2,-0.4 -40,-0.2 -0.901 9.5 171.4-129.0 103.2 44.8 29.2 10.5 48 48 A S + 0 0 0 -42,-1.6 146,-0.4 -2,-0.4 -41,-0.2 0.157 45.8 119.4 -91.6 19.8 44.2 31.9 8.0 49 49 A G S S- 0 0 0 -43,-0.2 2,-1.1 1,-0.1 3,-0.1 0.165 87.1 -98.0 -95.5-178.8 41.8 33.7 10.2 50 50 A D - 0 0 2 1,-0.2 -40,-2.5 28,-0.2 -39,-0.2 -0.944 50.3-164.3 -84.3 95.6 40.9 36.7 12.2 51 51 A I + 0 0 0 -2,-1.1 -40,-2.6 26,-0.2 2,-0.3 0.899 67.7 26.1 -59.2 -41.0 42.4 34.7 15.0 52 52 A V B S-k 11 0B 0 -42,-0.3 -42,-0.2 -3,-0.1 -40,-0.2 -0.797 74.1-134.8-118.2 164.4 40.8 37.0 17.6 53 53 A N S S+ 0 0 2 -42,-2.7 -41,-0.1 -2,-0.3 -1,-0.1 0.877 95.8 20.8 -85.5 -39.7 37.6 39.2 17.4 54 54 A a S S- 0 0 27 -43,-0.4 -1,-0.1 2,-0.1 28,-0.1 0.417 97.6-113.4-113.9 -0.4 38.6 42.5 18.9 55 55 A G + 0 0 15 1,-0.2 31,-0.1 26,-0.2 27,-0.1 0.830 66.5 150.0 69.3 32.0 42.4 42.6 18.6 56 56 A R > - 0 0 63 1,-0.1 4,-1.7 30,-0.0 3,-0.5 -0.722 55.5-128.4-102.0 147.6 42.7 42.6 22.4 57 57 A P H > S+ 0 0 42 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.893 109.4 55.0 -59.1 -42.0 45.5 41.1 24.4 58 58 A E H > S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 -44,-0.3 0.787 106.0 53.7 -65.4 -25.3 43.2 39.0 26.6 59 59 A E H > S+ 0 0 0 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.911 107.8 49.5 -69.8 -43.5 41.8 37.5 23.4 60 60 A Y H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 -2,-0.2 0.855 104.7 59.6 -62.2 -34.3 45.3 36.5 22.3 61 61 A Q H X S+ 0 0 77 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.898 110.4 41.4 -57.2 -41.8 45.9 35.0 25.8 62 62 A V H X S+ 0 0 8 -4,-1.2 4,-2.8 -3,-0.2 5,-0.3 0.953 114.8 50.8 -70.4 -50.2 42.9 32.6 25.1 63 63 A A H X>S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.5 0.885 109.4 52.2 -54.8 -43.3 44.0 32.0 21.5 64 64 A R H X5S+ 0 0 96 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.918 112.5 43.8 -60.1 -47.2 47.5 31.2 22.6 65 65 A Q H X5S+ 0 0 136 -4,-1.6 4,-1.0 -5,-0.2 -2,-0.2 0.927 120.2 40.2 -66.0 -44.5 46.3 28.6 25.1 66 66 A I H ><5S+ 0 0 21 -4,-2.8 3,-0.7 2,-0.2 4,-0.2 0.962 121.7 39.2 -74.7 -51.5 43.8 27.0 22.9 67 67 A L H ><5S+ 0 0 1 -4,-2.7 3,-1.5 -5,-0.3 -1,-0.2 0.851 112.3 62.2 -63.4 -31.8 45.7 27.0 19.6 68 68 A G H 3< - 0 0 0 -27,-0.1 3,-1.8 41,-0.1 -29,-0.1 -0.746 45.7 -80.0-130.2-176.2 43.1 39.1 9.5 80 80 A N T 3 S+ 0 0 29 1,-0.3 45,-0.2 -2,-0.2 46,-0.1 0.661 127.7 58.2 -61.5 -17.4 41.5 42.5 9.8 81 81 A H T 3 S+ 0 0 40 46,-0.1 -1,-0.3 -29,-0.1 -26,-0.2 0.574 95.8 84.6 -88.7 -9.3 40.2 41.5 13.3 82 82 A D S < S- 0 0 18 -3,-1.8 2,-0.5 -33,-0.1 3,-0.1 -0.416 75.3-130.7 -87.2 163.6 43.8 41.0 14.4 83 83 A D > - 0 0 67 1,-0.2 4,-3.1 -2,-0.1 5,-0.3 -0.976 13.3-145.3-115.4 114.6 46.3 43.4 15.7 84 84 A K H > S+ 0 0 31 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.869 97.1 46.4 -42.0 -57.1 49.7 43.1 14.0 85 85 A A H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 118.7 39.5 -55.0 -48.5 51.7 44.0 17.1 86 86 A L H > S+ 0 0 32 -3,-0.2 4,-2.7 2,-0.2 5,-0.3 0.819 109.7 59.5 -77.3 -32.8 49.8 41.7 19.5 87 87 A F H X>S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.6 0.935 111.6 42.7 -57.5 -47.0 49.5 38.8 17.0 88 88 A L H X5S+ 0 0 27 -4,-2.1 4,-1.1 -5,-0.3 -2,-0.2 0.898 113.2 51.6 -66.5 -43.4 53.3 38.8 16.9 89 89 A E H <5S+ 0 0 130 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.909 123.8 26.8 -62.3 -41.0 53.7 39.1 20.6 90 90 A Y H <5S+ 0 0 42 -4,-2.7 -2,-0.2 2,-0.1 -1,-0.2 0.788 130.7 31.4 -95.4 -31.3 51.4 36.3 21.5 91 91 A L H >X5S+ 0 0 0 -4,-2.6 3,-1.5 -5,-0.3 4,-0.6 0.634 92.7 83.1-110.3 -18.6 51.4 33.9 18.5 92 92 A Q G >< S+ 0 0 75 0, 0.0 3,-1.6 0, 0.0 -4,-0.1 0.781 72.1 67.6 -56.8 -33.5 58.4 31.2 14.7 97 97 A Q G 3 S+ 0 0 94 1,-0.3 9,-0.3 8,-0.0 3,-0.1 0.404 74.4 88.0 -74.6 5.2 59.0 31.7 10.9 98 98 A L G < S- 0 0 4 -3,-1.8 8,-1.0 1,-0.3 2,-0.3 0.776 94.0-138.2 -65.4 -27.9 56.5 34.7 10.9 99 99 A G < - 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