==== 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 22-FEB-06 2G4X . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 124 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 75 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 27.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 10 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 1 1 0 1 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 . 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 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 K 0 0 256 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.3 41.9 -0.9 31.7 2 2 A E - 0 0 79 1,-0.1 2,-0.0 2,-0.1 0, 0.0 -0.475 360.0-116.7 -68.7 134.2 40.6 2.6 30.7 3 3 A T > - 0 0 90 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.305 23.2-114.3 -63.0 154.9 39.4 3.0 27.2 4 4 A A H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.929 117.8 49.7 -54.6 -47.3 41.3 5.5 25.0 5 5 A A H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 111.5 48.8 -61.8 -43.3 38.2 7.7 24.7 6 6 A A H > S+ 0 0 30 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.886 109.9 51.4 -64.1 -40.1 37.6 7.6 28.5 7 7 A K H X S+ 0 0 99 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.927 108.9 51.8 -63.6 -42.2 41.2 8.5 29.2 8 8 A F H X S+ 0 0 4 -4,-2.3 4,-2.4 109,-0.2 5,-0.3 0.913 111.6 47.2 -57.0 -48.8 40.9 11.5 26.8 9 9 A E H X S+ 0 0 72 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.967 113.9 46.2 -60.8 -48.7 37.8 12.7 28.7 10 10 A R H < S+ 0 0 62 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.914 121.1 37.7 -57.7 -46.8 39.4 12.3 32.2 11 11 A Q H < S+ 0 0 30 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.833 130.8 22.6 -77.2 -33.3 42.6 14.1 31.1 12 12 A H H < S+ 0 0 12 -4,-2.4 35,-2.9 -5,-0.3 2,-0.5 0.502 94.8 89.6-122.1 -9.6 41.3 16.8 28.8 13 13 A M B < +a 47 0A 11 -4,-2.0 2,-0.2 -5,-0.3 35,-0.2 -0.858 27.4 156.8-101.0 127.7 37.6 17.7 29.4 14 14 A D > + 0 0 7 33,-2.9 3,-0.6 -2,-0.5 36,-0.1 -0.622 8.0 156.2-141.6 82.0 36.3 20.4 31.8 15 15 A S T 3 + 0 0 64 1,-0.2 33,-0.1 33,-0.2 35,-0.1 0.278 59.8 79.3 -79.4 -1.1 32.9 21.5 30.7 16 16 A S T 3 S+ 0 0 102 33,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.537 94.3 45.7 -96.9 -6.0 31.8 22.7 34.1 17 17 A T < - 0 0 39 -3,-0.6 3,-0.1 32,-0.1 -3,-0.1 -0.984 67.9-144.4-129.9 145.0 33.7 26.0 33.9 18 18 A S S S- 0 0 106 -2,-0.3 2,-0.3 1,-0.3 30,-0.2 0.656 86.5 -7.6 -70.4 -22.2 33.9 28.5 31.0 19 19 A A S S- 0 0 31 28,-0.1 -1,-0.3 61,-0.1 63,-0.1 -0.955 99.0 -54.6-173.0 153.4 37.6 29.3 31.9 20 20 A A - 0 0 25 -2,-0.3 2,-1.2 61,-0.2 81,-0.1 -0.157 46.5-144.4 -46.6 121.4 40.3 28.7 34.5 21 21 A S - 0 0 72 1,-0.1 -1,-0.1 2,-0.0 3,-0.1 -0.846 62.2 -35.4-110.3 79.1 38.9 29.6 37.7 22 22 A S S > S- 0 0 73 -2,-1.2 3,-1.3 2,-0.1 4,-0.3 0.241 76.2 -71.8 89.3 170.5 42.2 31.1 39.4 23 23 A S T 3 S+ 0 0 91 1,-0.2 4,-0.3 2,-0.1 3,-0.3 0.710 129.4 56.8 -62.0 -20.0 46.0 30.5 39.5 24 24 A N T 3> S+ 0 0 103 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.447 76.0 100.3 -95.4 2.4 45.3 27.4 41.6 25 25 A Y H <> S+ 0 0 4 -3,-1.3 4,-2.6 2,-0.2 5,-0.2 0.884 82.0 47.4 -48.5 -52.5 43.1 25.8 39.0 26 26 A a H > S+ 0 0 0 -3,-0.3 4,-3.2 -4,-0.3 5,-0.3 0.938 109.9 51.2 -64.6 -44.1 45.8 23.4 37.6 27 27 A N H > S+ 0 0 58 70,-0.3 4,-1.2 -4,-0.3 -1,-0.2 0.895 115.1 44.3 -56.9 -46.5 46.9 22.2 41.0 28 28 A Q H X S+ 0 0 113 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.937 118.5 41.3 -62.8 -50.2 43.3 21.4 41.9 29 29 A M H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 6,-0.2 0.852 109.7 56.5 -73.8 -37.9 42.4 19.7 38.6 30 30 A M H <>S+ 0 0 0 -4,-3.2 5,-3.1 -5,-0.2 6,-0.3 0.898 113.3 42.2 -65.5 -35.0 45.6 17.8 38.1 31 31 A K H ><5S+ 0 0 112 -4,-1.2 3,-1.7 -5,-0.3 5,-0.3 0.948 115.3 48.3 -72.8 -45.6 45.1 16.1 41.5 32 32 A S H 3<5S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.809 108.8 51.4 -73.0 -28.6 41.4 15.5 41.1 33 33 A R T 3<5S- 0 0 60 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.347 118.2-116.6 -85.3 8.5 41.6 14.0 37.6 34 34 A N T < 5S+ 0 0 91 -3,-1.7 3,-0.4 -5,-0.1 -3,-0.2 0.858 73.5 135.7 65.0 40.8 44.3 11.7 39.2 35 35 A L < + 0 0 11 -5,-3.1 6,-2.0 -6,-0.2 -4,-0.2 0.212 69.5 49.2 -99.2 12.6 47.2 13.0 37.1 36 36 A T S S+ 0 0 9 -6,-0.3 -1,-0.2 -5,-0.3 59,-0.1 0.053 74.5 114.6-132.6 23.8 49.6 13.2 40.0 37 37 A K S S- 0 0 73 -3,-0.4 3,-0.1 1,-0.2 -2,-0.1 0.965 97.5 -1.0 -70.0 -53.2 49.1 9.8 41.6 38 38 A D S S+ 0 0 149 1,-0.4 2,-0.3 54,-0.0 -1,-0.2 0.625 141.5 6.5-106.4 -12.3 52.5 8.2 41.1 39 39 A R S S- 0 0 152 54,-0.1 2,-0.7 53,-0.0 -1,-0.4 -0.967 83.0 -97.7-163.5 149.3 54.2 11.0 39.3 40 40 A b - 0 0 7 -2,-0.3 -4,-0.2 -4,-0.1 52,-0.1 -0.782 36.1-130.4 -79.4 118.0 53.4 14.6 38.4 41 41 A K - 0 0 39 -6,-2.0 3,-0.1 -2,-0.7 45,-0.1 -0.507 20.5-146.2 -61.9 126.2 52.2 14.6 34.8 42 42 A P S S+ 0 0 57 0, 0.0 44,-2.6 0, 0.0 2,-0.4 0.881 72.4 16.0 -72.5 -37.2 54.4 17.4 33.4 43 43 A V E + B 0 85A 51 42,-0.2 2,-0.3 54,-0.1 42,-0.2 -1.000 65.9 161.5-141.1 131.5 52.1 19.0 30.9 44 44 A N E - B 0 84A 2 40,-2.9 40,-2.3 -2,-0.4 2,-0.4 -0.949 21.1-148.9-153.7 135.5 48.3 18.8 30.4 45 45 A T E - B 0 83A 12 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.884 6.6-158.4-105.6 132.9 45.5 20.8 28.7 46 46 A F E - B 0 82A 0 36,-2.9 36,-2.9 -2,-0.4 2,-0.4 -0.945 9.6-146.8-103.1 133.6 41.9 21.1 29.8 47 47 A V E -aB 13 81A 0 -35,-2.9 -33,-2.9 -2,-0.4 2,-1.0 -0.876 0.7-154.5 -99.6 124.8 39.2 22.1 27.3 48 48 A H + 0 0 5 32,-2.8 32,-0.4 -2,-0.4 2,-0.3 -0.608 61.2 94.3-103.0 64.6 36.3 24.2 28.6 49 49 A E S S- 0 0 56 -2,-1.0 -35,-0.2 30,-0.1 -2,-0.1 -0.899 84.5 -74.5-141.4 165.9 33.7 23.3 26.1 50 50 A S > - 0 0 50 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.334 37.7-120.1 -60.4 150.1 30.9 20.6 25.9 51 51 A L H > S+ 0 0 65 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.916 116.8 54.7 -56.2 -43.0 31.9 17.1 25.3 52 52 A A H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 106.4 50.5 -60.8 -40.2 29.8 17.2 22.1 53 53 A D H 4 S+ 0 0 84 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.866 113.7 44.9 -62.0 -40.0 31.7 20.3 20.8 54 54 A V H >< S+ 0 0 0 -4,-2.0 3,-1.5 2,-0.2 4,-0.3 0.934 112.0 50.9 -72.1 -44.9 35.0 18.6 21.4 55 55 A Q H >< S+ 0 0 67 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.855 101.8 64.4 -58.7 -37.4 33.8 15.3 19.9 56 56 A A G >< S+ 0 0 43 -4,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.702 84.0 75.3 -55.2 -24.9 32.6 17.3 16.8 57 57 A V G X S+ 0 0 0 -3,-1.5 3,-2.2 -4,-0.4 -1,-0.3 0.789 78.2 72.4 -64.5 -28.5 36.2 18.2 16.0 58 58 A c G < S+ 0 0 6 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.562 102.4 45.6 -62.5 -8.3 36.7 14.6 14.7 59 59 A S G < S+ 0 0 104 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.214 103.6 77.7-109.9 9.2 34.6 15.9 11.7 60 60 A Q S < S- 0 0 45 -3,-2.2 2,-0.6 1,-0.2 15,-0.2 0.394 96.9 -13.6 -99.5-133.9 36.3 19.2 11.2 61 61 A K E -D 74 0B 129 13,-1.8 13,-2.4 1,-0.1 2,-0.5 -0.599 60.2-141.0 -87.6 115.8 39.6 20.0 9.5 62 62 A N E +D 73 0B 87 -2,-0.6 2,-0.3 11,-0.2 11,-0.3 -0.559 35.1 160.9 -72.9 119.3 41.9 17.0 8.9 63 63 A V E -D 72 0B 38 9,-1.9 9,-0.9 -2,-0.5 2,-0.1 -0.914 42.4 -86.3-129.0 161.9 45.5 18.0 9.5 64 64 A A - 0 0 73 -2,-0.3 2,-0.2 7,-0.1 6,-0.2 -0.406 39.1-124.9 -63.5 142.0 48.9 16.0 10.3 65 65 A d > - 0 0 7 4,-2.7 3,-2.4 1,-0.1 -1,-0.1 -0.576 27.8-108.4 -72.6 153.6 49.7 15.0 13.8 66 66 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.888 123.2 55.2 -50.5 -39.6 53.1 16.2 15.2 67 67 A N T 3 S- 0 0 105 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.435 123.1-105.2 -77.2 0.0 54.0 12.5 14.9 68 68 A G S < S+ 0 0 56 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.233 75.3 136.9 93.0 -14.5 53.2 12.2 11.2 69 69 A Q - 0 0 85 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.210 50.2-142.5 -52.0 157.3 49.9 10.3 11.7 70 70 A T S S+ 0 0 110 -6,-0.2 -1,-0.1 1,-0.1 -6,-0.1 0.083 78.3 89.0-119.4 16.6 46.9 11.5 9.5 71 71 A N + 0 0 30 -9,-0.1 39,-3.0 2,-0.0 2,-0.3 -0.035 61.2 115.4-110.5 33.0 44.0 11.1 12.1 72 72 A d E -DE 63 109B 0 -9,-0.9 -9,-1.9 37,-0.3 2,-0.3 -0.732 44.4-164.2-106.6 148.7 44.3 14.6 13.6 73 73 A Y E -DE 62 108B 32 35,-2.1 35,-2.4 -2,-0.3 2,-0.5 -0.987 9.0-148.0-137.0 133.5 41.6 17.3 13.4 74 74 A Q E -DE 61 107B 53 -13,-2.4 -13,-1.8 -2,-0.3 33,-0.2 -0.930 28.3-113.7-106.8 128.6 41.8 21.0 14.1 75 75 A S - 0 0 2 31,-2.6 4,-0.1 -2,-0.5 -18,-0.0 -0.299 12.5-140.0 -57.7 136.0 38.8 22.8 15.4 76 76 A Y S S+ 0 0 156 29,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.822 87.6 41.3 -67.2 -32.4 37.3 25.3 13.1 77 77 A S S S- 0 0 69 27,-0.1 29,-0.4 29,-0.1 2,-0.2 -0.732 93.2-101.4-112.2 160.7 36.7 27.7 16.0 78 78 A T - 0 0 71 -2,-0.3 2,-0.3 27,-0.2 27,-0.3 -0.487 36.8-156.1 -70.5 158.4 38.8 28.7 19.0 79 79 A M E - C 0 104A 7 25,-2.5 25,-2.0 -2,-0.2 2,-0.4 -0.939 25.7-101.9-136.9 148.9 37.8 27.1 22.3 80 80 A S E + C 0 103A 8 -32,-0.4 -32,-2.8 -2,-0.3 2,-0.3 -0.624 54.7 170.3 -69.7 121.7 38.4 28.1 25.9 81 81 A I E -BC 47 102A 2 21,-3.3 21,-2.3 -2,-0.4 2,-0.4 -0.949 28.5-148.4-132.1 160.1 41.4 26.0 27.2 82 82 A T E -BC 46 101A 0 -36,-2.9 -36,-2.9 -2,-0.3 2,-0.5 -0.978 10.1-154.3-127.1 124.4 43.7 25.9 30.2 83 83 A D E -BC 45 100A 35 17,-2.6 17,-2.6 -2,-0.4 2,-0.4 -0.812 9.0-165.2 -93.3 132.8 47.3 24.7 29.9 84 84 A a E +BC 44 99A 0 -40,-2.3 -40,-2.9 -2,-0.5 2,-0.4 -0.986 13.0 170.0-118.4 127.1 48.8 23.2 33.0 85 85 A R E -BC 43 98A 133 13,-1.5 13,-2.8 -2,-0.4 -42,-0.2 -1.000 36.8-105.9-137.9 135.0 52.6 22.8 33.3 86 86 A E E - C 0 97A 67 -44,-2.6 11,-0.3 -2,-0.4 2,-0.1 -0.292 32.9-139.0 -59.9 145.3 54.8 21.9 36.2 87 87 A T > - 0 0 53 9,-2.2 3,-1.4 1,-0.1 9,-0.2 -0.449 28.8-101.7 -95.3 171.1 56.8 24.7 37.7 88 88 A G T 3 S+ 0 0 89 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 0.785 121.5 61.6 -62.6 -25.9 60.5 24.4 38.9 89 89 A S T 3 S+ 0 0 111 2,-0.0 2,-0.5 7,-0.0 -1,-0.2 0.461 80.5 111.0 -83.1 1.0 59.1 24.2 42.5 90 90 A S < + 0 0 15 -3,-1.4 2,-0.3 6,-0.2 5,-0.2 -0.635 35.5 160.7 -78.5 125.5 57.3 21.0 41.7 91 91 A K B > -G 94 0C 162 3,-1.8 3,-2.6 -2,-0.5 -3,-0.0 -0.898 45.3 -85.2-146.0 110.5 58.6 17.9 43.3 92 92 A Y T 3 S+ 0 0 109 1,-0.3 -54,-0.0 -2,-0.3 -56,-0.0 -0.290 115.3 29.2 -49.9 135.4 56.5 14.8 43.7 93 93 A P T 3 S+ 0 0 95 0, 0.0 2,-1.0 0, 0.0 -1,-0.3 -0.975 124.8 53.1 -88.0 7.1 54.5 14.2 45.9 94 94 A N B < S-G 91 0C 124 -3,-2.6 -3,-1.8 -5,-0.0 2,-0.1 -0.664 80.4-172.9-101.1 77.0 54.0 18.1 46.2 95 95 A b - 0 0 28 -2,-1.0 2,-0.4 -5,-0.2 -5,-0.1 -0.420 3.8-166.2 -70.2 147.4 53.2 18.7 42.5 96 96 A A - 0 0 23 -9,-0.2 -9,-2.2 -2,-0.1 2,-0.4 -0.991 3.3-167.4-143.3 126.6 53.0 22.4 41.5 97 97 A Y E -C 86 0A 12 -2,-0.4 2,-0.4 -11,-0.3 -70,-0.3 -0.933 20.4-135.9-123.3 138.3 51.5 23.8 38.2 98 98 A K E -C 85 0A 128 -13,-2.8 -13,-1.5 -2,-0.4 2,-0.6 -0.738 26.8-143.7 -77.5 130.3 51.4 27.1 36.3 99 99 A T E -C 84 0A 28 -2,-0.4 2,-0.4 -76,-0.2 -15,-0.2 -0.924 19.9-179.8-103.5 118.6 47.9 27.8 35.0 100 100 A T E -C 83 0A 61 -17,-2.6 -17,-2.6 -2,-0.6 2,-0.2 -0.921 9.1-161.3-121.5 112.0 47.6 29.5 31.6 101 101 A Q E +C 82 0A 63 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.605 22.9 152.8 -88.4 143.2 44.1 30.2 30.2 102 102 A A E -C 81 0A 30 -21,-2.3 -21,-3.3 -2,-0.2 2,-0.5 -0.980 43.8-124.5-158.7 166.8 43.7 30.9 26.5 103 103 A N E +C 80 0A 104 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.951 52.9 140.9-122.2 105.9 41.2 30.7 23.6 104 104 A K E -C 79 0A 43 -25,-2.0 -25,-2.5 -2,-0.5 2,-0.2 -0.912 55.3 -93.6-140.3 160.3 42.8 28.7 20.9 105 105 A H - 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