==== 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 03-AUG-10 3O8S . COMPND 2 MOLECULE: ADP-RIBOSE PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SUIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 134 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 23.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 11 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 17.9 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+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 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 0 0 0 1 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 2 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 67 A T 0 0 188 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 169.7 12.4 51.4 36.1 2 68 A P - 0 0 67 0, 0.0 72,-0.2 0, 0.0 2,-0.1 -0.422 360.0-103.3 -68.3 143.5 11.4 48.1 37.9 3 69 A K E -a 74 0A 72 70,-1.8 72,-2.7 -2,-0.1 2,-0.5 -0.384 36.9-125.7 -63.2 137.1 11.1 48.4 41.8 4 70 A L E -a 75 0A 65 29,-0.2 29,-2.2 70,-0.2 2,-0.4 -0.818 25.0-172.0 -93.4 128.4 14.1 46.8 43.6 5 71 A D E -aB 76 32A 8 70,-2.8 72,-3.7 -2,-0.5 2,-0.4 -0.960 5.5-159.7-118.4 132.1 13.6 44.1 46.2 6 72 A T E -aB 77 31A 0 25,-2.9 25,-2.5 -2,-0.4 2,-0.4 -0.911 6.5-172.6-113.7 140.2 16.4 42.8 48.4 7 73 A R E -aB 78 30A 9 70,-2.4 72,-3.4 -2,-0.4 2,-0.5 -0.999 13.0-145.8-132.2 131.6 16.4 39.5 50.2 8 74 A A E -a 79 0A 0 21,-3.1 2,-0.6 -2,-0.4 72,-0.2 -0.867 5.5-160.4-102.0 129.0 19.0 38.3 52.7 9 75 A A E +a 80 0A 0 70,-2.9 72,-2.6 -2,-0.5 2,-0.4 -0.945 14.9 179.9-108.4 110.5 19.9 34.5 52.9 10 76 A I E -a 81 0A 0 -2,-0.6 7,-2.4 7,-0.3 2,-0.3 -0.968 6.4-164.0-116.6 127.4 21.6 33.7 56.3 11 77 A F E +E 16 0B 22 70,-0.6 72,-0.4 -2,-0.4 2,-0.3 -0.887 18.6 174.0-118.5 145.2 22.7 30.1 57.1 12 78 A Q E > S-E 15 0B 82 3,-1.8 3,-2.0 -2,-0.3 -2,-0.0 -0.953 88.3 -9.8-143.3 115.9 23.7 28.3 60.4 13 79 A E T 3 S- 0 0 173 -2,-0.3 3,-0.1 1,-0.3 86,-0.0 0.835 127.8 -62.0 57.7 36.6 24.4 24.5 60.0 14 80 A D T 3 S+ 0 0 71 1,-0.2 88,-0.4 87,-0.1 2,-0.4 0.583 110.6 127.7 63.2 16.0 22.9 24.8 56.4 15 81 A K E < -E 12 0B 99 -3,-2.0 -3,-1.8 86,-0.1 2,-0.3 -0.827 57.2-129.3 -95.8 137.9 19.5 25.9 58.0 16 82 A I E -EF 11 100B 0 84,-2.7 84,-2.5 -2,-0.4 2,-0.5 -0.690 12.7-120.0 -94.5 144.1 18.1 29.2 56.6 17 83 A L E + F 0 99B 3 -7,-2.4 2,-0.3 -2,-0.3 -7,-0.3 -0.668 35.8 179.4 -81.2 126.5 17.0 32.3 58.6 18 84 A L E - F 0 98B 0 80,-2.4 80,-1.7 -2,-0.5 2,-0.4 -0.934 16.4-148.7-125.9 146.1 13.3 33.2 58.0 19 85 A V E -GF 27 97B 0 8,-3.3 8,-2.4 -2,-0.3 2,-0.4 -0.916 14.4-135.2-115.1 141.1 11.1 35.9 59.6 20 86 A Q E -GF 26 96B 47 76,-2.7 75,-2.8 -2,-0.4 76,-0.8 -0.840 15.5-153.7-101.4 137.5 7.4 35.6 60.2 21 87 A E > - 0 0 41 4,-2.3 3,-2.6 -2,-0.4 73,-0.1 -0.523 38.1 -90.8-102.8 168.6 4.9 38.4 59.4 22 88 A N T 3 S+ 0 0 142 71,-0.4 72,-0.1 1,-0.3 -2,-0.0 0.777 124.8 60.2 -47.2 -37.1 1.4 39.3 60.9 23 89 A D T 3 S- 0 0 92 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.383 117.5-112.8 -74.1 0.8 -0.3 36.9 58.3 24 90 A G S < S+ 0 0 26 -3,-2.6 2,-0.2 1,-0.3 -2,-0.1 0.475 74.9 129.4 79.3 3.1 1.7 33.9 59.6 25 91 A L - 0 0 58 -4,-0.1 -4,-2.3 81,-0.1 2,-0.3 -0.616 50.4-132.4 -91.1 153.4 3.8 33.5 56.5 26 92 A W E +Gh 20 108B 27 81,-2.4 83,-2.4 -2,-0.2 2,-0.3 -0.821 29.4 160.8-111.2 142.1 7.6 33.2 56.5 27 93 A S E -G 19 0B 2 -8,-2.4 -8,-3.3 -2,-0.3 3,-0.1 -0.974 43.7 -88.7-151.7 163.8 10.2 35.0 54.3 28 94 A L - 0 0 0 -2,-0.3 -10,-0.2 -10,-0.2 -19,-0.1 -0.528 60.2 -93.3 -67.4 144.1 13.8 35.9 54.1 29 95 A P S S+ 0 0 0 0, 0.0 -21,-3.1 0, 0.0 2,-0.3 -0.289 84.2 82.9 -58.3 143.0 14.6 39.3 55.7 30 96 A G E +B 7 0A 5 16,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.997 38.0 173.3 161.5-153.3 14.3 42.1 53.1 31 97 A G E -B 6 0A 12 -25,-2.5 -25,-2.9 -2,-0.3 2,-0.1 -0.851 53.8 -16.9 138.1-174.3 12.0 44.4 51.2 32 98 A W E S-B 5 0A 176 -2,-0.3 2,-0.3 -27,-0.2 -27,-0.2 -0.393 73.0-105.8 -68.1 134.5 12.1 47.2 48.8 33 99 A C - 0 0 28 -29,-2.2 -29,-0.2 -2,-0.1 -1,-0.1 -0.492 33.5-114.2 -67.9 121.8 15.4 49.0 48.5 34 100 A D > - 0 0 81 -2,-0.3 3,-1.4 4,-0.2 8,-0.1 -0.331 23.8-126.0 -55.0 133.1 15.5 52.5 50.3 35 101 A V T 3 S+ 0 0 142 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.850 108.4 42.7 -54.5 -40.8 15.9 55.2 47.6 36 102 A D T 3 S+ 0 0 149 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.373 105.9 79.8 -91.4 4.3 19.0 56.7 49.3 37 103 A Q S < S- 0 0 77 -3,-1.4 2,-0.1 2,-0.0 -4,-0.0 -0.871 74.7-123.3-118.2 149.2 20.6 53.4 50.2 38 104 A S > - 0 0 59 -2,-0.3 4,-2.6 1,-0.1 -4,-0.2 -0.314 36.2-102.2 -74.7 165.6 22.7 50.9 48.2 39 105 A V H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 122.4 45.2 -55.2 -50.9 21.7 47.2 47.8 40 106 A K H > S+ 0 0 125 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.931 114.7 45.9 -61.3 -51.9 24.3 46.1 50.5 41 107 A D H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.884 113.0 52.7 -61.2 -40.0 23.4 48.8 53.1 42 108 A N H X S+ 0 0 7 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.917 110.2 44.9 -62.9 -48.7 19.7 48.1 52.5 43 109 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.920 114.0 49.7 -63.0 -47.0 19.9 44.3 53.2 44 110 A V H X S+ 0 0 48 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.873 113.9 45.1 -57.3 -44.5 22.1 44.7 56.3 45 111 A K H X S+ 0 0 30 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.882 112.9 51.4 -69.0 -39.1 19.8 47.4 57.8 46 112 A E H X S+ 0 0 16 -4,-2.3 4,-2.2 2,-0.2 -16,-0.3 0.828 108.8 50.8 -65.9 -35.6 16.7 45.3 57.0 47 113 A V H X>S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 6,-1.1 0.915 112.6 47.0 -67.7 -43.6 18.2 42.2 58.7 48 114 A K H X5S+ 0 0 98 -4,-1.8 4,-1.4 4,-0.2 -2,-0.2 0.938 117.8 41.8 -61.0 -49.8 19.0 44.3 61.8 49 115 A E H <5S+ 0 0 111 -4,-2.6 44,-0.3 1,-0.2 45,-0.2 0.803 125.4 33.3 -67.5 -38.0 15.4 45.8 61.8 50 116 A E H <5S+ 0 0 15 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.769 135.2 19.0 -93.1 -32.5 13.5 42.6 61.0 51 117 A A H <5S- 0 0 0 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.484 92.7-121.7-119.5 -6.3 15.6 39.8 62.7 52 118 A G << + 0 0 10 -4,-1.4 35,-1.2 -5,-0.6 2,-0.4 0.560 68.7 137.4 72.7 14.3 17.7 41.7 65.3 53 119 A L E -C 86 0A 12 -6,-1.1 2,-0.5 33,-0.2 33,-0.2 -0.759 53.8-142.8-104.5 141.5 20.8 40.3 63.6 54 120 A D E +C 85 0A 76 31,-2.4 30,-3.0 -2,-0.4 31,-1.6 -0.839 37.7 163.5 -92.3 121.1 24.2 41.8 62.6 55 121 A V E -C 83 0A 6 -2,-0.5 2,-0.5 28,-0.2 28,-0.2 -0.933 35.2-131.8-135.7 161.9 25.2 40.4 59.3 56 122 A E E -C 82 0A 88 26,-2.3 26,-2.5 -2,-0.3 2,-0.2 -0.978 27.1-122.6-118.8 126.5 27.7 41.2 56.5 57 123 A A E +C 81 0A 18 -2,-0.5 24,-0.2 24,-0.2 3,-0.1 -0.514 41.6 164.1 -63.5 130.2 26.5 41.1 52.9 58 124 A Q E + 0 0 107 22,-2.8 2,-0.3 1,-0.4 23,-0.2 0.761 45.3 9.2-121.1 -48.2 28.6 38.6 51.0 59 125 A R E -C 80 0A 58 21,-1.7 21,-3.4 0, 0.0 2,-0.8 -0.999 57.6-121.9-147.7 143.9 27.5 37.4 47.7 60 126 A V E -C 79 0A 52 -2,-0.3 19,-0.2 19,-0.2 3,-0.1 -0.791 27.4-178.6 -85.1 110.5 24.8 38.1 45.0 61 127 A V E - 0 0 0 17,-2.5 72,-2.0 -2,-0.8 2,-0.3 0.928 64.3 -23.3 -70.7 -51.1 23.0 34.8 44.7 62 128 A A E -Cd 78 133A 0 16,-1.2 16,-2.9 70,-0.2 2,-0.5 -0.974 40.8-146.1-162.5 151.0 20.6 36.0 42.0 63 129 A I E +Cd 77 134A 61 70,-2.5 72,-0.9 -2,-0.3 2,-0.4 -0.977 42.6 179.9-120.6 101.0 19.0 39.1 40.4 64 130 A L E -C 76 0A 12 12,-3.4 12,-3.6 -2,-0.5 2,-0.5 -0.909 35.6-122.2-122.7 144.8 15.6 37.9 39.3 65 131 A D E >> -C 75 0A 41 -2,-0.4 4,-1.1 10,-0.2 3,-0.8 -0.660 21.0-146.2 -77.9 115.6 12.6 39.2 37.6 66 132 A K H >> S+ 0 0 72 8,-2.8 4,-3.6 -2,-0.5 3,-0.8 0.883 97.6 57.5 -46.5 -48.3 9.6 38.6 40.0 67 133 A H H 34 S+ 0 0 169 7,-0.3 -1,-0.2 1,-0.2 8,-0.1 0.807 111.7 41.5 -56.5 -35.1 7.2 38.0 37.0 68 134 A K H <4 S+ 0 0 129 -3,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.635 130.3 24.3 -87.5 -17.9 9.4 35.1 35.7 69 135 A N H << S+ 0 0 55 -4,-1.1 -2,-0.2 -3,-0.8 -3,-0.2 0.578 112.6 54.1-125.1 -20.1 10.1 33.5 39.2 70 136 A N < 0 0 12 -4,-3.6 41,-0.2 -5,-0.2 -1,-0.2 -0.949 360.0 360.0-126.9 148.3 7.4 34.4 41.8 71 137 A P 0 0 123 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.151 360.0 360.0 -48.2 360.0 3.5 34.0 41.9 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 143 A R 0 0 111 0, 0.0 -70,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 86.6 7.3 44.8 37.9 74 144 A V E -a 3 0A 14 -72,-0.2 -8,-2.8 -70,-0.0 2,-0.5 -0.981 360.0-153.2-127.4 135.7 10.0 43.9 40.5 75 145 A T E -aC 4 65A 36 -72,-2.7 -70,-2.8 -2,-0.4 2,-0.5 -0.934 23.0-152.8-102.9 122.8 13.7 43.0 40.2 76 146 A K E -aC 5 64A 3 -12,-3.6 -12,-3.4 -2,-0.5 2,-0.6 -0.909 7.9-162.2-105.6 124.5 14.6 40.8 43.2 77 147 A V E -aC 6 63A 10 -72,-3.7 -70,-2.4 -2,-0.5 2,-0.6 -0.919 4.9-159.9-107.2 114.8 18.2 40.7 44.5 78 148 A F E -aC 7 62A 2 -16,-2.9 -17,-2.5 -2,-0.6 -16,-1.2 -0.878 12.1-167.3 -93.2 119.9 19.0 37.7 46.7 79 149 A I E -aC 8 60A 10 -72,-3.4 -70,-2.9 -2,-0.6 2,-0.4 -0.957 17.2-138.1-114.2 126.6 22.1 38.4 48.8 80 150 A L E -aC 9 59A 8 -21,-3.4 -22,-2.8 -2,-0.5 -21,-1.7 -0.705 29.3-167.8 -82.0 126.3 24.0 35.7 50.8 81 151 A C E -aC 10 57A 3 -72,-2.6 -70,-0.6 -2,-0.4 2,-0.5 -0.931 17.6-135.2-119.7 148.6 24.9 37.2 54.2 82 152 A R E - C 0 56A 127 -26,-2.5 -26,-2.3 -2,-0.3 2,-0.3 -0.873 27.6-118.8-104.4 128.3 27.2 35.9 56.9 83 153 A L E + C 0 55A 42 -2,-0.5 -28,-0.2 -72,-0.4 3,-0.1 -0.517 32.6 171.8 -70.9 132.2 25.9 36.0 60.5 84 154 A L E - 0 0 97 -30,-3.0 2,-0.3 1,-0.4 -29,-0.2 0.804 55.8 -85.7-102.3 -45.2 27.9 38.1 63.0 85 155 A G E + C 0 54A 26 -31,-1.6 -31,-2.4 2,-0.0 -1,-0.4 -0.975 64.9 119.7 166.7-165.3 25.4 37.9 65.9 86 156 A G E - C 0 53A 52 -2,-0.3 2,-0.3 -33,-0.2 -33,-0.2 -0.535 42.3-114.3 108.2-172.7 22.3 39.3 67.6 87 157 A E - 0 0 133 -35,-1.2 -36,-0.0 -2,-0.2 -2,-0.0 -0.975 37.5 -77.5-159.7 154.7 18.9 38.0 68.5 88 158 A F - 0 0 60 -2,-0.3 -36,-0.2 9,-0.1 -37,-0.1 -0.298 49.8-176.3 -60.8 137.3 15.2 38.5 67.6 89 159 A Q - 0 0 110 -40,-0.1 -37,-0.1 -39,-0.1 7,-0.0 -0.977 35.0 -84.9-133.8 149.3 13.7 41.7 69.1 90 160 A P + 0 0 121 0, 0.0 2,-0.3 0, 0.0 5,-0.1 -0.224 59.6 156.2 -55.5 140.1 10.1 43.2 69.1 91 161 A N - 0 0 50 3,-0.6 -41,-0.1 -41,-0.1 -42,-0.0 -0.959 53.6-110.4-159.2 168.2 9.4 45.4 65.9 92 162 A S S S+ 0 0 113 -2,-0.3 3,-0.1 1,-0.1 -42,-0.1 0.486 110.2 48.6 -83.4 -9.9 6.6 46.8 63.7 93 163 A E S S+ 0 0 80 -44,-0.3 -71,-0.4 1,-0.2 2,-0.3 0.820 113.7 22.6-100.5 -43.3 7.5 44.5 60.6 94 164 A T - 0 0 5 -45,-0.2 -3,-0.6 -73,-0.1 -73,-0.2 -0.859 46.4-160.5-130.1 164.3 7.9 40.9 61.9 95 165 A V S S+ 0 0 75 -75,-2.8 2,-0.3 1,-0.3 -74,-0.1 0.527 74.5 3.3-122.8 -13.5 6.7 38.8 64.9 96 166 A A E -F 20 0B 28 -76,-0.8 -76,-2.7 -46,-0.1 -1,-0.3 -0.960 53.8-162.6-164.6 168.2 9.2 35.9 65.0 97 167 A S E +F 19 0B 37 -2,-0.3 2,-0.3 -78,-0.3 -78,-0.2 -0.961 14.7 160.5-154.7 158.7 12.3 34.4 63.4 98 168 A G E -F 18 0B 18 -80,-1.7 -80,-2.4 -2,-0.3 2,-0.5 -0.972 41.1-100.3-173.7 163.1 14.1 31.0 63.2 99 169 A F E -F 17 0B 71 -2,-0.3 2,-0.4 -82,-0.2 -82,-0.2 -0.882 43.1-168.3 -98.0 124.2 16.6 28.7 61.4 100 170 A F E -F 16 0B 46 -84,-2.5 -84,-2.7 -2,-0.5 2,-0.2 -0.959 21.2-125.0-122.0 138.4 14.8 26.2 59.3 101 171 A S > - 0 0 40 -2,-0.4 3,-1.4 3,-0.4 -86,-0.1 -0.495 23.1-127.8 -71.9 141.6 16.0 23.1 57.4 102 172 A L T 3 S+ 0 0 37 -88,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.628 111.2 57.3 -69.2 -10.6 15.2 23.1 53.7 103 173 A D T 3 S+ 0 0 157 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.538 116.3 34.1 -92.3 -12.5 13.6 19.7 54.2 104 174 A D S < S+ 0 0 129 -3,-1.4 -3,-0.4 2,-0.0 -1,-0.2 -0.499 81.3 169.5-143.2 65.9 11.1 21.1 56.8 105 175 A L - 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