==== 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 2DXL . 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) . 19948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 66.4 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 . 68 12.5 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 . 56 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 17.9 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+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 4 0 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 37 0, 0.0 241,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.3 51.5 16.2 3.0 2 2 A L E -A 241 0A 7 239,-0.2 41,-3.3 39,-0.1 42,-1.1 -0.981 360.0-174.5-129.1 120.1 48.3 16.6 5.0 3 3 A L E -Ab 240 44A 0 237,-3.2 237,-2.6 -2,-0.4 2,-0.7 -0.942 18.7-151.1-116.7 133.3 47.2 20.0 6.2 4 4 A A E -Ab 239 45A 0 40,-2.3 42,-2.7 -2,-0.4 2,-0.6 -0.924 22.9-166.1 -98.4 115.0 44.3 20.8 8.5 5 5 A H E +Ab 238 46A 0 233,-3.5 233,-2.5 -2,-0.7 2,-0.3 -0.909 15.5 163.3-113.9 111.2 43.3 24.3 7.4 6 6 A I E - b 0 47A 3 40,-3.1 42,-1.7 -2,-0.6 2,-0.3 -0.802 11.8-171.0-118.5 165.3 41.0 26.3 9.7 7 7 A S + 0 0 0 206,-0.3 208,-1.5 -2,-0.3 40,-0.0 -0.979 49.7 24.5-152.5 158.5 40.2 30.0 9.7 8 8 A D + 0 0 0 -2,-0.3 208,-0.5 206,-0.2 207,-0.3 0.878 51.6 167.0 54.9 54.3 38.5 32.8 11.4 9 9 A T - 0 0 0 205,-0.1 42,-0.2 206,-0.1 19,-0.1 0.784 22.4-161.9 -69.5 -32.1 38.5 31.4 15.0 10 10 A H - 0 0 4 40,-2.5 42,-0.3 42,-0.2 43,-0.2 0.836 11.5-159.6 52.7 47.0 37.6 34.9 16.4 11 11 A F B -k 52 0B 0 40,-2.6 42,-2.6 39,-0.2 43,-0.4 -0.114 4.8-158.0 -55.1 149.9 38.7 34.2 20.0 12 12 A R - 0 0 7 4,-0.2 50,-0.1 1,-0.2 6,-0.1 -0.703 32.1 -73.1-118.9 176.5 37.3 36.4 22.8 13 13 A S - 0 0 15 -2,-0.2 -1,-0.2 4,-0.1 46,-0.1 -0.143 57.5 -91.0 -64.5 168.2 38.6 37.1 26.4 14 14 A R S S+ 0 0 163 1,-0.2 -2,-0.1 44,-0.2 11,-0.1 0.911 123.4 33.9 -50.0 -57.7 38.4 34.5 29.1 15 15 A G S S+ 0 0 61 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.919 106.6 88.9 -60.3 -39.5 34.9 35.5 30.4 16 16 A E - 0 0 102 1,-0.1 2,-0.3 9,-0.0 9,-0.3 0.086 54.0-153.7 -85.0 163.5 33.3 36.6 27.2 17 17 A K > - 0 0 87 6,-0.1 3,-2.1 7,-0.1 6,-0.2 -0.959 41.0 -90.1-125.2 150.3 31.3 35.2 24.3 18 18 A L B >> S-L 22 0C 0 4,-2.0 4,-2.6 -2,-0.3 3,-1.7 -0.378 111.6 -9.7 -57.7 124.8 31.1 36.5 20.7 19 19 A Y T 34 S- 0 0 21 521,-0.4 -1,-0.3 520,-0.4 521,-0.1 0.598 124.3 -71.7 58.7 11.3 28.3 39.1 20.5 20 20 A G T <4 S+ 0 0 61 -3,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.244 131.1 46.2 93.6 -12.5 27.3 37.9 24.0 21 21 A F T <4 S+ 0 0 93 -3,-1.7 2,-0.7 1,-0.1 -2,-0.2 0.595 80.3 87.3-139.8 -20.2 26.0 34.5 23.0 22 22 A I B < -L 18 0C 6 -4,-2.6 -4,-2.0 1,-0.1 2,-2.0 -0.790 64.9-147.4 -89.7 115.7 28.2 32.6 20.6 23 23 A D > + 0 0 69 -2,-0.7 4,-2.7 -6,-0.2 5,-0.2 -0.476 30.1 165.1 -85.3 74.6 30.8 30.6 22.8 24 24 A V H > S+ 0 0 0 -2,-2.0 4,-2.9 1,-0.2 5,-0.2 0.825 71.3 57.0 -59.4 -35.8 33.7 30.8 20.3 25 25 A N H > S+ 0 0 14 -9,-0.3 4,-2.5 -3,-0.2 -1,-0.2 0.965 110.8 41.6 -63.3 -50.7 36.2 29.8 22.9 26 26 A A H > S+ 0 0 47 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.962 114.6 52.4 -58.7 -51.8 34.4 26.6 23.7 27 27 A A H X S+ 0 0 30 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.899 112.8 44.0 -54.0 -45.7 33.7 25.9 20.0 28 28 A N H X S+ 0 0 3 -4,-2.9 4,-3.6 2,-0.2 -1,-0.2 0.889 110.0 54.9 -66.6 -37.6 37.4 26.3 19.1 29 29 A A H X S+ 0 0 39 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.906 111.8 46.5 -61.2 -38.2 38.5 24.3 22.1 30 30 A D H X S+ 0 0 64 -4,-2.6 4,-3.4 2,-0.2 -2,-0.2 0.977 110.6 50.4 -66.4 -56.9 36.2 21.6 20.7 31 31 A V H X S+ 0 0 7 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.905 111.9 51.0 -44.7 -47.1 37.6 22.0 17.2 32 32 A V H X S+ 0 0 2 -4,-3.6 4,-2.7 2,-0.2 5,-0.2 0.972 112.1 43.1 -58.4 -55.7 41.1 21.7 18.7 33 33 A S H < S+ 0 0 77 -4,-2.7 4,-0.4 1,-0.3 -1,-0.2 0.870 113.0 56.1 -60.8 -34.3 40.4 18.5 20.6 34 34 A Q H >< S+ 0 0 38 -4,-3.4 3,-1.1 -5,-0.2 4,-0.3 0.952 109.4 45.3 -55.1 -52.8 38.6 17.3 17.5 35 35 A L H >< S+ 0 0 1 -4,-2.6 3,-2.4 1,-0.3 -2,-0.2 0.952 110.7 49.2 -64.8 -53.0 41.7 17.9 15.4 36 36 A N T 3< S+ 0 0 30 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.497 107.7 58.5 -76.7 10.2 44.3 16.4 17.6 37 37 A A T < S+ 0 0 79 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.416 77.8 127.1-102.5 -3.9 42.0 13.3 17.9 38 38 A L < - 0 0 30 -3,-2.4 3,-0.1 -4,-0.3 -3,-0.0 -0.204 57.7-142.3 -55.5 143.1 42.0 12.7 14.1 39 39 A R S S+ 0 0 237 1,-0.2 2,-0.9 2,-0.1 -1,-0.1 0.939 97.7 48.0 -75.1 -47.7 42.9 9.1 13.1 40 40 A E S S- 0 0 33 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.855 96.3-146.1 -91.2 103.1 44.8 10.2 10.0 41 41 A R - 0 0 120 -2,-0.9 -39,-0.1 -3,-0.1 -5,-0.1 -0.540 5.0-126.1 -82.7 129.1 46.9 13.0 11.6 42 42 A P - 0 0 6 0, 0.0 -39,-0.2 0, 0.0 3,-0.1 -0.244 10.8-130.4 -67.0 160.7 47.9 16.1 9.6 43 43 A D S S- 0 0 81 -41,-3.3 2,-0.3 1,-0.3 -40,-0.2 0.739 85.8 -7.7 -80.4 -24.9 51.5 17.2 9.3 44 44 A A E -b 3 0A 1 -42,-1.1 -40,-2.3 28,-0.1 2,-0.5 -0.984 64.6-120.1-164.0 163.4 50.6 20.8 10.3 45 45 A V E -bc 4 74A 0 28,-2.7 30,-2.6 -2,-0.3 2,-0.4 -0.964 19.5-157.9-119.6 127.8 47.7 23.1 11.1 46 46 A V E -bc 5 75A 0 -42,-2.7 -40,-3.1 -2,-0.5 2,-0.4 -0.865 7.1-173.3-102.1 132.8 47.0 26.3 9.1 47 47 A V E +bc 6 76A 0 28,-2.8 30,-2.2 -2,-0.4 -40,-0.2 -0.895 6.7 175.2-124.9 100.2 44.9 29.2 10.7 48 48 A S + 0 0 0 -42,-1.7 146,-0.4 -2,-0.4 147,-0.1 0.067 47.7 124.8 -85.6 27.3 44.4 31.8 8.0 49 49 A G S S- 0 0 0 -43,-0.2 2,-1.0 145,-0.1 3,-0.1 0.147 87.0-104.3-104.1-177.9 42.2 33.7 10.3 50 50 A D - 0 0 2 1,-0.2 -40,-2.5 28,-0.2 -39,-0.2 -0.931 50.1-169.3 -88.2 91.0 41.0 36.6 12.3 51 51 A I + 0 0 0 -2,-1.0 -40,-2.6 -42,-0.2 2,-0.3 0.899 66.5 25.1 -59.0 -41.8 42.6 34.6 15.1 52 52 A V B S-k 11 0B 0 -42,-0.3 -42,-0.2 -3,-0.1 -40,-0.2 -0.800 74.5-134.1-118.2 163.5 41.0 37.0 17.7 53 53 A N S S+ 0 0 2 -42,-2.6 -41,-0.1 -2,-0.3 -1,-0.1 0.871 95.7 20.7 -87.3 -38.1 37.8 39.1 17.5 54 54 A a S S- 0 0 28 -43,-0.4 -1,-0.1 2,-0.1 28,-0.1 0.462 96.8-112.9-113.5 -2.8 38.8 42.5 18.9 55 55 A G + 0 0 15 1,-0.2 31,-0.1 26,-0.2 27,-0.1 0.754 67.6 149.4 74.6 23.7 42.6 42.7 18.7 56 56 A R > - 0 0 60 1,-0.1 4,-1.7 30,-0.0 3,-0.4 -0.633 55.2-127.6 -95.9 150.2 42.8 42.6 22.5 57 57 A P H > S+ 0 0 43 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.916 109.2 53.0 -60.2 -47.6 45.6 41.1 24.6 58 58 A E H > S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 -44,-0.2 0.753 106.9 54.8 -65.5 -21.4 43.4 38.9 26.8 59 59 A E H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.903 108.4 47.9 -70.0 -44.0 41.9 37.5 23.5 60 60 A Y H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.839 106.5 58.4 -64.8 -32.6 45.4 36.6 22.4 61 61 A Q H X S+ 0 0 93 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.944 110.1 42.8 -56.5 -48.0 46.0 35.0 25.9 62 62 A V H X S+ 0 0 6 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.938 115.7 48.5 -64.8 -48.0 43.0 32.7 25.2 63 63 A A H X>S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.6 0.917 108.5 53.7 -59.5 -46.6 44.1 32.0 21.6 64 64 A R H X5S+ 0 0 96 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.887 113.0 44.2 -55.7 -41.4 47.7 31.3 22.6 65 65 A Q H X5S+ 0 0 108 -4,-1.6 4,-0.8 -5,-0.2 -2,-0.2 0.934 119.2 39.3 -73.0 -47.3 46.5 28.7 25.2 66 66 A I H ><5S+ 0 0 21 -4,-2.6 3,-1.0 2,-0.2 4,-0.3 0.966 121.9 41.2 -68.9 -53.2 43.8 27.0 23.0 67 67 A L H ><5S+ 0 0 1 -4,-2.8 3,-1.3 1,-0.3 -3,-0.2 0.853 111.4 60.8 -62.1 -31.9 45.8 27.0 19.7 68 68 A G H 3< - 0 0 0 -27,-0.1 3,-2.3 41,-0.1 -29,-0.1 -0.736 44.2 -83.3-124.8 179.7 43.3 39.0 9.6 80 80 A N T 3 S+ 0 0 28 1,-0.3 45,-0.2 -2,-0.2 46,-0.1 0.699 127.5 59.6 -58.5 -21.4 41.7 42.4 9.8 81 81 A H T 3 S+ 0 0 39 46,-0.1 -1,-0.3 2,-0.1 -26,-0.2 0.539 95.5 86.8 -82.3 -6.4 40.4 41.5 13.3 82 82 A D S < S- 0 0 19 -3,-2.3 2,-0.6 -33,-0.1 3,-0.1 -0.484 75.5-129.7 -93.2 160.3 43.9 41.0 14.5 83 83 A D > - 0 0 67 1,-0.2 4,-3.4 -2,-0.2 5,-0.3 -0.961 14.5-147.7-108.6 115.7 46.5 43.4 15.9 84 84 A K H > S+ 0 0 30 -2,-0.6 4,-2.1 1,-0.2 5,-0.2 0.898 96.4 44.3 -46.7 -55.2 49.8 43.1 14.1 85 85 A A H > S+ 0 0 60 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.902 119.5 41.2 -59.0 -44.6 52.0 43.9 17.2 86 86 A L H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.838 109.1 58.6 -77.2 -34.5 50.0 41.7 19.6 87 87 A F H X>S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 5,-0.6 0.925 111.5 43.5 -56.3 -47.3 49.6 38.8 17.1 88 88 A L H X5S+ 0 0 26 -4,-2.1 4,-0.9 -5,-0.3 -2,-0.2 0.866 112.4 52.7 -65.0 -39.5 53.4 38.7 16.9 89 89 A E H <5S+ 0 0 126 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.903 123.4 25.0 -67.3 -40.3 53.8 39.1 20.7 90 90 A Y H <5S+ 0 0 45 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.760 131.1 33.8 -95.8 -30.0 51.5 36.2 21.6 91 91 A L H ><5S+ 0 0 0 -4,-2.3 3,-1.5 -5,-0.4 4,-0.2 0.695 92.8 81.4-107.9 -22.8 51.6 33.9 18.6 92 92 A Q G >< S+ 0 0 74 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.746 71.3 72.3 -52.0 -32.0 58.7 31.2 14.8 97 97 A Q G 3 S+ 0 0 95 1,-0.3 9,-0.3 3,-0.0 3,-0.1 0.375 72.0 86.8 -75.3 9.3 59.1 31.7 11.0 98 98 A L G < S- 0 0 4 -3,-1.7 8,-0.9 1,-0.3 3,-0.3 0.746 95.3-133.9 -68.9 -23.6 56.8 34.7 11.0 99 99 A G < - 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