==== 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 CHAPERONE 20-DEC-03 1RY9 . COMPND 2 MOLECULE: SURFACE PRESENTATION OF ANTIGENS PROTEIN SPAK; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR A.VAN EERDE,C.HAMIAUX,J.PEREZ,C.PARSOT,B.W.DIJKSTRA . 532 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.3 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 . 31 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 0 0 0 0 0 0 0 0 0 4 4 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 4 6 6 0 0 4 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 0 0 0 4 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 M 0 0 214 0, 0.0 2,-0.3 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 -17.6 21.5 24.5 33.7 2 2 A S - 0 0 53 28,-0.0 3,-0.3 1,-0.0 28,-0.2 -0.964 360.0-130.3-148.4 160.4 22.7 26.9 36.4 3 3 A N S > S+ 0 0 15 26,-2.5 4,-2.7 -2,-0.3 3,-0.4 0.351 76.9 109.4 -93.7 6.7 24.5 30.3 36.6 4 4 A I H > S+ 0 0 110 25,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.850 78.6 45.0 -51.2 -45.5 27.1 28.8 39.1 5 5 A N H > S+ 0 0 139 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.834 113.0 50.8 -70.1 -34.2 30.0 28.9 36.7 6 6 A L H > S+ 0 0 9 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.903 109.5 51.4 -69.4 -40.5 29.2 32.4 35.5 7 7 A V H X S+ 0 0 16 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.928 111.3 47.6 -60.4 -45.1 29.0 33.6 39.1 8 8 A Q H X S+ 0 0 98 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.876 110.0 53.1 -65.2 -36.1 32.4 32.1 39.8 9 9 A L H X S+ 0 0 16 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.945 111.5 45.0 -63.1 -46.6 33.8 33.7 36.6 10 10 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.905 113.6 50.4 -64.8 -42.8 32.6 37.1 37.7 11 11 A R H X S+ 0 0 87 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.942 111.1 48.3 -59.2 -50.9 33.9 36.6 41.2 12 12 A D H X S+ 0 0 71 -4,-2.8 4,-1.3 1,-0.2 3,-0.4 0.880 109.2 53.9 -57.4 -41.4 37.3 35.5 40.0 13 13 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.883 104.0 55.6 -63.3 -37.9 37.5 38.5 37.7 14 14 A L H X>S+ 0 0 5 -4,-1.9 4,-2.1 1,-0.2 5,-1.6 0.779 100.2 57.9 -68.0 -28.5 36.8 40.9 40.5 15 15 A F H <5S+ 0 0 146 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.907 109.3 47.4 -64.5 -39.0 39.8 39.6 42.5 16 16 A T H <5S+ 0 0 78 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.866 113.2 46.0 -69.6 -37.9 41.9 40.6 39.5 17 17 A I H <5S- 0 0 73 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.840 114.3-116.1 -74.1 -32.4 40.3 44.0 39.2 18 18 A G T <5S+ 0 0 66 -4,-2.1 -3,-0.2 1,-0.4 -4,-0.1 0.533 70.6 127.1 107.1 11.7 40.6 44.7 43.0 19 19 A C < - 0 0 41 -5,-1.6 -1,-0.4 -6,-0.1 -2,-0.1 -0.660 59.3-112.6 -97.9 156.3 36.9 44.9 43.9 20 20 A P > - 0 0 68 0, 0.0 3,-1.1 0, 0.0 4,-0.1 -0.499 20.9-120.2 -83.5 156.8 35.2 42.9 46.7 21 21 A P G > S+ 0 0 53 0, 0.0 3,-0.6 0, 0.0 -10,-0.0 0.323 98.5 89.6 -77.8 9.2 32.5 40.3 45.9 22 22 A S G 3 S+ 0 0 95 1,-0.2 -3,-0.0 13,-0.0 0, 0.0 0.665 80.1 58.7 -76.6 -19.1 30.1 42.3 48.0 23 23 A I G < S+ 0 0 46 -3,-1.1 13,-2.1 12,-0.1 2,-0.5 0.545 89.8 88.8 -85.7 -8.6 29.0 44.3 44.9 24 24 A I E < +A 35 0A 15 -3,-0.6 2,-0.3 11,-0.2 11,-0.2 -0.786 55.5 164.5 -93.3 129.8 28.0 41.1 43.1 25 25 A T E +A 34 0A 72 9,-2.4 9,-2.7 -2,-0.5 2,-0.3 -0.928 14.3 177.8-140.4 163.4 24.4 39.9 43.5 26 26 A D E -A 33 0A 70 -2,-0.3 7,-0.1 7,-0.2 3,-0.1 -0.971 31.3-130.8-156.5 163.7 21.8 37.6 42.0 27 27 A L S S- 0 0 75 5,-0.6 2,-0.2 -2,-0.3 -1,-0.1 0.891 80.3 -37.5 -83.9 -47.4 18.2 36.5 42.7 28 28 A D S > S- 0 0 35 4,-0.2 3,-1.0 -25,-0.0 -1,-0.3 -0.868 79.1 -63.5-159.8-169.0 18.8 32.7 42.5 29 29 A S T 3 S+ 0 0 51 -2,-0.2 -26,-2.5 1,-0.2 -25,-0.3 0.417 128.8 42.5 -73.7 1.4 20.7 30.0 40.6 30 30 A H T 3 S+ 0 0 91 -28,-0.2 -1,-0.2 -27,-0.1 2,-0.1 0.364 96.4 96.9-124.9 3.7 19.1 30.8 37.2 31 31 A S S < S- 0 0 7 -3,-1.0 16,-0.1 1,-0.1 2,-0.1 -0.340 79.0 -89.4 -95.3 172.1 19.1 34.6 37.2 32 32 A A - 0 0 21 14,-0.1 -5,-0.6 -2,-0.1 2,-0.3 -0.373 41.2-122.6 -71.6 155.9 21.2 37.3 35.8 33 33 A I E -AB 26 45A 0 12,-2.9 12,-2.4 -7,-0.1 2,-0.4 -0.804 23.1-153.2-100.2 144.2 24.1 38.6 38.0 34 34 A T E -AB 25 44A 36 -9,-2.7 -9,-2.4 -2,-0.3 2,-0.6 -0.975 9.7-161.8-123.7 134.1 24.3 42.3 38.9 35 35 A I E -AB 24 43A 5 8,-2.5 8,-2.1 -2,-0.4 2,-0.2 -0.956 21.3-143.6-113.6 107.9 27.4 44.3 39.7 36 36 A S E - 0 0 69 -13,-2.1 2,-0.3 -2,-0.6 6,-0.1 -0.541 18.4-166.5 -74.2 135.2 26.3 47.5 41.5 37 37 A L E > - B 0 40A 38 3,-0.5 3,-0.9 -2,-0.2 2,-0.4 -0.945 24.7-109.2-125.2 145.9 28.3 50.6 40.6 38 38 A D T 3 S- 0 0 155 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.596 98.8 -6.9 -75.8 125.6 28.6 54.0 42.3 39 39 A S T 3 S+ 0 0 112 -2,-0.4 -1,-0.2 1,-0.2 0, 0.0 0.644 123.0 79.9 65.5 18.4 26.9 56.8 40.2 40 40 A M E < S-B 37 0A 25 -3,-0.9 -3,-0.5 18,-0.0 -1,-0.2 -0.972 88.6 -89.1-147.1 157.6 26.3 54.5 37.3 41 41 A P E - 0 0 33 0, 0.0 17,-0.1 0, 0.0 2,-0.1 -0.304 55.4 -96.2 -61.6 155.9 23.8 51.8 36.2 42 42 A A E - 0 0 26 15,-0.1 2,-0.5 -6,-0.1 15,-0.4 -0.350 29.6-118.6 -73.7 154.2 24.6 48.3 37.2 43 43 A I E -B 35 0A 6 -8,-2.1 -8,-2.5 13,-0.1 2,-0.4 -0.852 29.5-156.6 -91.0 126.4 26.4 45.8 34.9 44 44 A N E -BC 34 55A 21 11,-2.9 11,-2.2 -2,-0.5 2,-0.4 -0.871 10.0-172.6-106.4 139.3 24.1 42.8 34.3 45 45 A I E +BC 33 54A 0 -12,-2.4 -12,-2.9 -2,-0.4 2,-0.3 -0.992 14.9 148.9-135.7 127.3 25.6 39.5 33.2 46 46 A A E - C 0 53A 12 7,-2.1 7,-3.0 -2,-0.4 2,-0.7 -0.989 48.3-106.6-155.0 159.7 23.7 36.4 32.1 47 47 A L E + C 0 52A 83 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.826 38.5 178.1 -89.7 112.3 23.8 33.3 29.9 48 48 A V E > S- C 0 51A 22 3,-3.2 3,-0.7 -2,-0.7 371,-0.1 -0.953 73.5 -16.7-120.6 108.4 21.5 34.0 26.9 49 49 A N T 3 S- 0 0 105 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.922 126.8 -55.6 61.8 47.2 21.4 31.1 24.4 50 50 A E T 3 S+ 0 0 166 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.642 120.1 108.6 60.8 17.6 24.7 29.7 25.7 51 51 A Q E < S-C 48 0A 79 -3,-0.7 -3,-3.2 54,-0.0 2,-0.5 -0.973 73.3-119.9-124.1 139.3 26.4 33.0 25.2 52 52 A V E -CD 47 104A 5 52,-0.6 52,-2.9 -2,-0.4 2,-0.4 -0.668 31.6-167.2 -80.7 123.4 27.4 35.4 27.9 53 53 A M E -CD 46 103A 11 -7,-3.0 -7,-2.1 -2,-0.5 2,-0.4 -0.920 8.7-165.9-115.3 136.5 25.7 38.8 27.6 54 54 A L E +CD 45 102A 0 48,-2.8 48,-2.6 -2,-0.4 2,-0.3 -0.960 18.5 167.1-116.5 136.7 26.7 42.0 29.5 55 55 A W E -CD 44 101A 1 -11,-2.2 -11,-2.9 -2,-0.4 2,-0.4 -0.998 21.9-163.0-152.3 153.0 24.3 44.9 29.5 56 56 A A E - D 0 100A 0 44,-2.3 44,-2.5 -2,-0.3 2,-0.7 -0.996 15.6-142.8-138.4 131.1 23.7 48.2 31.3 57 57 A N E - D 0 99A 23 -15,-0.4 2,-0.3 -2,-0.4 42,-0.2 -0.841 17.1-171.6 -99.9 111.4 20.4 50.2 31.3 58 58 A F E - D 0 98A 5 40,-2.4 40,-2.7 -2,-0.7 2,-0.1 -0.770 38.8 -97.3 -97.7 144.0 20.8 54.0 31.2 59 59 A D E - D 0 97A 133 -2,-0.3 38,-0.3 38,-0.2 37,-0.1 -0.424 53.2-103.1 -57.0 131.7 17.8 56.2 31.7 60 60 A A - 0 0 37 36,-2.5 -1,-0.1 -2,-0.1 2,-0.1 -0.410 36.5-133.9 -64.8 127.0 16.7 57.1 28.1 61 61 A P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 72,-0.0 -0.394 23.8-100.5 -77.8 158.8 17.7 60.6 27.1 62 62 A S > - 0 0 66 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.309 37.3-106.4 -69.0 163.1 15.4 63.0 25.4 63 63 A D H > S+ 0 0 96 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.898 121.4 51.4 -58.6 -41.8 15.8 63.4 21.7 64 64 A V H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.849 107.6 51.5 -67.9 -32.9 17.4 66.8 22.1 65 65 A K H > S+ 0 0 74 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.903 109.9 50.3 -67.8 -40.1 19.9 65.5 24.6 66 66 A L H X S+ 0 0 1 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.873 108.2 54.6 -63.1 -37.1 20.8 62.7 22.2 67 67 A Q H >< S+ 0 0 111 -4,-1.9 3,-0.5 1,-0.2 4,-0.4 0.914 108.7 45.8 -64.6 -44.4 21.2 65.4 19.5 68 68 A S H 3< S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.728 123.9 35.7 -72.8 -20.2 23.7 67.4 21.5 69 69 A S H 3X S+ 0 0 9 -4,-1.3 4,-2.5 -5,-0.1 -1,-0.2 0.337 86.3 106.2-111.3 5.0 25.7 64.3 22.4 70 70 A A H S+ 0 0 59 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.938 113.4 45.5 -59.4 -46.8 28.8 62.8 17.9 72 72 A N H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.903 115.5 46.7 -63.8 -40.7 30.3 61.5 21.1 73 73 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.904 111.8 50.1 -70.6 -40.7 27.8 58.6 21.3 74 74 A L H X S+ 0 0 5 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.932 109.7 50.8 -63.6 -45.4 28.4 57.6 17.7 75 75 A N H < S+ 0 0 42 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.879 110.9 50.0 -61.0 -37.6 32.1 57.7 18.1 76 76 A L H >< S+ 0 0 7 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.939 110.7 48.9 -63.4 -47.8 31.8 55.5 21.2 77 77 A M H 3< S+ 0 0 25 -4,-2.5 12,-0.4 1,-0.3 -2,-0.2 0.764 106.5 56.3 -66.8 -25.3 29.5 53.0 19.3 78 78 A L T 3< S+ 0 0 6 -4,-1.9 149,-0.4 -5,-0.2 2,-0.4 0.505 81.5 110.1 -84.1 -6.3 31.9 52.7 16.4 79 79 A M S < S- 0 0 77 -3,-1.3 10,-0.4 -4,-0.4 -3,-0.0 -0.571 75.7-117.8 -71.9 127.6 34.8 51.7 18.6 80 80 A N - 0 0 70 -2,-0.4 2,-0.4 8,-0.1 8,-0.2 -0.299 21.5-159.9 -66.0 148.2 35.8 48.1 18.1 81 81 A F > - 0 0 0 6,-2.2 3,-1.4 1,-0.1 6,-0.2 -0.943 5.4-157.2-132.4 104.5 35.4 45.7 21.0 82 82 A S T 3 S+ 0 0 82 -2,-0.4 -1,-0.1 1,-0.3 5,-0.1 0.703 85.5 54.4 -60.6 -25.4 37.5 42.6 20.4 83 83 A Y T 3 S+ 0 0 43 4,-0.1 22,-2.5 21,-0.1 -1,-0.3 0.561 85.8 101.5 -90.4 -9.4 35.7 40.2 22.7 84 84 A S B X S-E 104 0A 4 -3,-1.4 3,-1.0 20,-0.2 20,-0.2 -0.440 78.4-124.1 -78.3 149.3 32.2 40.7 21.1 85 85 A I T 3 S+ 0 0 70 18,-2.4 -1,-0.1 1,-0.3 19,-0.1 0.693 116.1 30.8 -65.8 -20.3 30.7 38.2 18.7 86 86 A N T 3 S- 0 0 19 2,-0.4 -1,-0.3 17,-0.3 3,-0.1 0.174 114.5-110.1-120.5 12.4 30.3 41.1 16.2 87 87 A E S < S+ 0 0 90 -3,-1.0 -6,-2.2 1,-0.2 2,-0.3 0.568 88.4 84.8 71.9 10.8 33.3 43.2 17.2 88 88 A L S S- 0 0 10 -8,-0.2 2,-0.4 -6,-0.1 -2,-0.4 -0.888 75.9-122.3-136.2 165.2 31.1 45.9 18.6 89 89 A V - 0 0 9 -10,-0.4 2,-0.3 -12,-0.4 13,-0.2 -0.887 40.4-136.3-100.1 140.4 29.1 47.0 21.7 90 90 A E E -F 101 0A 16 11,-3.5 11,-2.8 -2,-0.4 2,-0.5 -0.745 8.6-148.3-102.0 151.9 25.5 47.5 20.8 91 91 A L E -F 100 0A 12 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.979 15.6-174.2-117.9 124.9 23.0 50.2 21.7 92 92 A H E -F 99 0A 12 7,-2.6 7,-3.3 -2,-0.5 2,-0.5 -0.971 9.4-152.3-120.4 135.7 19.3 49.3 22.1 93 93 A R E +F 98 0A 78 -2,-0.4 2,-0.3 119,-0.4 5,-0.2 -0.910 19.6 164.6-113.2 132.0 16.6 51.9 22.7 94 94 A S - 0 0 36 3,-2.6 317,-0.0 -2,-0.5 -2,-0.0 -0.752 55.1 -90.9-127.1 177.5 13.3 51.3 24.5 95 95 A D S S+ 0 0 131 -2,-0.3 -35,-0.1 1,-0.2 3,-0.1 0.885 124.8 28.0 -58.4 -38.7 10.8 53.8 25.9 96 96 A E S S+ 0 0 85 416,-0.1 -36,-2.5 1,-0.1 2,-0.3 0.807 120.9 36.5 -95.5 -35.4 12.6 53.8 29.3 97 97 A Y E -D 59 0A 56 -38,-0.3 -3,-2.6 415,-0.1 2,-0.6 -0.874 50.4-147.3-128.8 155.9 16.2 52.9 28.7 98 98 A L E -DF 58 93A 1 -40,-2.7 -40,-2.4 -2,-0.3 2,-0.5 -0.989 40.7-157.3-111.4 110.3 19.2 53.4 26.3 99 99 A Q E -DF 57 92A 16 -7,-3.3 -7,-2.6 -2,-0.6 2,-0.5 -0.830 17.1-152.7-104.5 130.4 20.9 50.0 26.8 100 100 A L E +DF 56 91A 0 -44,-2.5 -44,-2.3 -2,-0.5 2,-0.3 -0.872 29.6 175.7 -94.2 128.3 24.5 49.2 26.2 101 101 A R E +DF 55 90A 27 -11,-2.8 -11,-3.5 -2,-0.5 2,-0.3 -0.995 16.6 175.7-142.4 141.2 24.8 45.5 25.4 102 102 A V E -D 54 0A 0 -48,-2.6 -48,-2.8 -2,-0.3 2,-0.5 -0.997 17.7-150.6-144.9 142.7 27.5 43.1 24.3 103 103 A V E -D 53 0A 9 -2,-0.3 -18,-2.4 -50,-0.2 2,-0.3 -0.971 24.9-138.5-114.0 123.5 27.6 39.3 23.7 104 104 A I E -DE 52 84A 1 -52,-2.9 -52,-0.6 -2,-0.5 -20,-0.2 -0.624 14.9-114.3 -90.9 139.1 31.0 37.7 24.4 105 105 A K > - 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