==== 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 OXIDOREDUCTASE 25-MAR-98 3DHE . COMPND 2 MOLECULE: ESTROGENIC 17-BETA HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.HAN,R.L.CAMPBELL,A.GANGLOFF,S.X.LIN . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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-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 . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 0 3 1 2 0 1 0 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 99 0, 0.0 2,-0.3 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 -56.5 30.0 -2.4 21.6 2 2 A R - 0 0 81 29,-0.0 29,-0.2 0, 0.0 83,-0.1 -0.947 360.0 -35.3-151.9 164.8 29.0 0.5 19.4 3 3 A T - 0 0 51 26,-0.3 28,-2.3 -2,-0.3 2,-0.7 0.094 62.0-146.8 -28.6 106.4 26.0 1.6 17.4 4 4 A V E -a 31 0A 0 26,-0.2 81,-2.5 28,-0.1 82,-2.0 -0.763 18.3-172.0 -89.6 111.2 24.6 -1.7 16.0 5 5 A V E -ab 32 86A 0 26,-2.5 28,-2.3 -2,-0.7 2,-0.4 -0.829 9.7-167.5-106.0 138.5 23.0 -1.2 12.6 6 6 A L E -ab 33 87A 0 80,-2.5 82,-2.6 -2,-0.4 2,-0.4 -0.992 9.1-171.8-126.1 124.7 21.0 -3.8 10.6 7 7 A I E -ab 34 88A 0 26,-2.4 28,-2.1 -2,-0.4 2,-0.3 -0.930 11.1-143.8-120.4 141.0 20.2 -3.2 7.0 8 8 A T S S+ 0 0 4 80,-1.4 28,-0.1 -2,-0.4 82,-0.1 -0.762 75.0 21.7-104.2 150.8 18.0 -5.1 4.6 9 9 A G + 0 0 24 -2,-0.3 3,-0.5 55,-0.2 6,-0.4 0.958 66.2 159.5 63.4 59.4 18.5 -5.8 0.9 10 10 A C + 0 0 0 25,-3.0 26,-0.1 -3,-0.3 -1,-0.1 0.231 41.1 100.3 -95.9 13.0 22.3 -5.3 0.8 11 11 A S S S- 0 0 44 24,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.616 99.6 -32.6 -74.5 -8.6 23.1 -7.2 -2.4 12 12 A S S >> S+ 0 0 54 -3,-0.5 4,-0.7 32,-0.1 3,-0.6 -0.970 101.0 43.3 173.5 178.5 23.2 -3.9 -4.3 13 13 A G H 3> S- 0 0 30 -2,-0.3 4,-2.1 1,-0.2 3,-0.4 -0.185 115.2 -13.4 62.6-153.3 22.0 -0.3 -4.7 14 14 A I H 3> S+ 0 0 21 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.865 135.8 58.4 -44.6 -48.0 21.4 1.9 -1.7 15 15 A G H <> S+ 0 0 0 -3,-0.6 4,-2.3 -6,-0.4 -1,-0.2 0.924 108.3 41.5 -52.4 -54.7 21.7 -1.1 0.7 16 16 A L H X S+ 0 0 10 -4,-0.7 4,-1.9 -3,-0.4 5,-0.3 0.925 118.1 46.2 -61.4 -46.8 25.2 -2.2 -0.4 17 17 A H H X S+ 0 0 59 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.888 112.7 50.3 -64.8 -40.3 26.6 1.4 -0.6 18 18 A L H X S+ 0 0 2 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.920 108.5 53.0 -64.1 -44.3 25.1 2.3 2.8 19 19 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.3 5,-0.2 0.921 113.9 39.8 -58.0 -50.4 26.5 -0.8 4.5 20 20 A V H X S+ 0 0 10 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.867 112.4 57.4 -70.0 -34.6 30.1 -0.2 3.5 21 21 A R H < S+ 0 0 57 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.887 114.3 39.5 -61.5 -38.6 29.7 3.6 4.0 22 22 A L H >< S+ 0 0 3 -4,-2.1 3,-2.2 2,-0.2 8,-0.3 0.980 117.1 46.9 -72.9 -60.2 28.8 2.8 7.6 23 23 A A H 3< S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.826 115.0 47.3 -51.3 -39.1 31.2 -0.0 8.3 24 24 A S T 3< S+ 0 0 26 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.282 79.5 136.0 -90.0 11.3 34.1 1.9 6.8 25 25 A D X - 0 0 23 -3,-2.2 3,-2.0 1,-0.1 5,-0.2 -0.380 61.5-127.9 -61.9 132.0 33.4 5.1 8.7 26 26 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.813 106.9 61.4 -49.0 -37.7 36.6 6.6 10.1 27 27 A S T 3 S- 0 0 70 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.722 91.5-148.9 -64.3 -22.4 35.1 6.9 13.6 28 28 A Q < + 0 0 116 -3,-2.0 -1,-0.1 -6,-0.2 -5,-0.1 0.757 57.0 129.1 57.6 26.1 34.7 3.1 13.6 29 29 A S + 0 0 46 -7,-0.1 2,-0.4 -27,-0.1 -26,-0.3 0.345 48.1 82.6 -92.8 7.4 31.6 3.6 15.8 30 30 A F - 0 0 20 -8,-0.3 2,-0.6 -5,-0.2 -26,-0.2 -0.934 54.9-164.8-118.9 135.4 29.3 1.4 13.7 31 31 A K E -a 4 0A 14 -28,-2.3 -26,-2.5 -2,-0.4 2,-0.4 -0.975 23.7-152.8-113.9 118.7 28.9 -2.4 13.7 32 32 A V E -ac 5 59A 0 26,-2.7 28,-2.5 -2,-0.6 2,-0.7 -0.821 20.2-170.3-106.5 130.9 27.0 -3.4 10.5 33 33 A Y E -ac 6 60A 7 -28,-2.3 -26,-2.4 -2,-0.4 2,-0.5 -0.912 16.8-163.2-112.0 99.0 24.8 -6.4 9.8 34 34 A A E -ac 7 61A 0 26,-2.7 28,-2.4 -2,-0.7 2,-0.3 -0.765 7.7-154.3 -87.9 128.7 24.2 -6.5 6.1 35 35 A T E + c 0 62A 2 -28,-2.1 -25,-3.0 -2,-0.5 2,-0.3 -0.779 14.8 178.1-104.4 145.1 21.2 -8.7 5.2 36 36 A L E - c 0 63A 0 26,-2.0 28,-2.7 -2,-0.3 3,-0.2 -0.994 32.0-138.6-145.8 148.9 20.6 -10.4 1.9 37 37 A R S S+ 0 0 119 -2,-0.3 2,-0.5 1,-0.3 -1,-0.2 0.968 99.3 27.4 -69.4 -55.1 18.0 -12.8 0.5 38 38 A D > - 0 0 65 1,-0.1 3,-1.1 25,-0.1 -1,-0.3 -0.949 68.6-155.7-111.8 124.2 20.5 -15.1 -1.3 39 39 A L G > S+ 0 0 66 -2,-0.5 3,-3.0 1,-0.3 4,-0.2 0.810 85.3 79.4 -68.1 -29.0 24.0 -15.3 0.1 40 40 A K G 3 S+ 0 0 182 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.506 91.5 56.9 -59.8 1.9 25.5 -16.3 -3.3 41 41 A T G < S+ 0 0 51 -3,-1.1 4,-0.4 1,-0.1 3,-0.3 0.208 72.9 99.7-115.8 13.1 25.3 -12.6 -4.1 42 42 A Q <> + 0 0 58 -3,-3.0 4,-2.1 1,-0.2 5,-0.2 0.585 58.2 91.7 -75.2 -8.6 27.4 -11.3 -1.2 43 43 A G H > S+ 0 0 45 1,-0.2 4,-3.0 -4,-0.2 3,-0.3 0.942 82.6 48.3 -48.4 -63.7 30.4 -11.0 -3.5 44 44 A R H > S+ 0 0 141 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.824 110.6 53.7 -48.9 -38.3 29.9 -7.4 -4.6 45 45 A L H > S+ 0 0 0 -4,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.942 112.5 42.1 -65.3 -47.4 29.4 -6.4 -0.9 46 46 A W H X S+ 0 0 101 -4,-2.1 4,-1.5 -3,-0.3 -2,-0.2 0.894 113.5 52.5 -66.1 -41.3 32.7 -8.0 0.2 47 47 A E H X S+ 0 0 139 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.903 112.1 46.1 -61.2 -40.5 34.6 -6.7 -2.8 48 48 A A H X S+ 0 0 25 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.836 108.3 57.4 -70.9 -31.0 33.3 -3.2 -2.0 49 49 A A H <>S+ 0 0 5 -4,-1.8 5,-2.4 1,-0.2 -1,-0.2 0.784 107.9 46.5 -69.6 -28.4 34.2 -3.7 1.6 50 50 A R H ><5S+ 0 0 177 -4,-1.5 3,-1.5 3,-0.2 -1,-0.2 0.852 105.6 59.9 -80.2 -36.9 37.8 -4.4 0.7 51 51 A A H 3<5S+ 0 0 82 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.860 113.6 37.1 -57.5 -37.9 37.9 -1.4 -1.7 52 52 A L T 3<5S- 0 0 89 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.233 111.9-124.4 -99.0 10.9 37.1 0.9 1.3 53 53 A A T < 5 - 0 0 58 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.939 30.5-161.3 44.0 70.8 39.2 -1.2 3.6 54 54 A C < - 0 0 21 -5,-2.4 -1,-0.2 1,-0.1 -30,-0.2 -0.683 24.4-110.0 -81.9 130.4 36.6 -1.9 6.2 55 55 A P > - 0 0 45 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.201 43.3 -90.1 -57.4 150.2 38.2 -3.0 9.5 56 56 A P T 3 S+ 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.434 111.7 22.5 -64.7 130.5 37.7 -6.7 10.4 57 57 A G T 3 S+ 0 0 36 2,-0.3 3,-0.1 -2,-0.2 -3,-0.0 0.623 93.9 97.0 90.7 13.7 34.5 -7.2 12.4 58 58 A S S < S+ 0 0 3 -3,-1.3 -26,-2.7 1,-0.2 2,-0.4 0.475 84.6 46.8-108.1 -7.3 32.7 -4.1 11.4 59 59 A L E +c 32 0A 4 -4,-0.2 2,-0.4 -28,-0.2 -2,-0.3 -0.978 60.6 170.5-140.6 123.1 30.7 -5.9 8.7 60 60 A E E -c 33 0A 80 -28,-2.5 -26,-2.7 -2,-0.4 2,-0.4 -0.971 22.2-140.0-130.0 144.9 28.8 -9.2 8.9 61 61 A T E -c 34 0A 31 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.898 17.7-175.4-109.6 137.8 26.4 -10.7 6.4 62 62 A L E -c 35 0A 23 -28,-2.4 -26,-2.0 -2,-0.4 2,-0.5 -0.967 26.7-124.7-128.8 144.5 23.2 -12.6 7.3 63 63 A Q E +c 36 0A 92 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.789 40.6 167.3 -87.7 125.2 20.8 -14.4 5.1 64 64 A L - 0 0 4 -28,-2.7 2,-0.8 -2,-0.5 -55,-0.2 -0.934 26.3-163.1-148.2 120.2 17.3 -12.9 5.6 65 65 A D > - 0 0 28 -2,-0.3 3,-2.3 3,-0.2 6,-0.3 -0.894 5.2-164.1-101.8 104.2 14.2 -13.3 3.6 66 66 A V T 3 S+ 0 0 10 -2,-0.8 54,-0.2 1,-0.3 -1,-0.1 0.561 87.8 70.5 -65.7 -6.1 11.8 -10.5 4.6 67 67 A R T 3 S+ 0 0 71 1,-0.1 2,-0.4 53,-0.0 -1,-0.3 0.464 98.2 58.7 -87.0 -2.2 9.1 -12.6 2.9 68 68 A D <> - 0 0 64 -3,-2.3 4,-1.0 1,-0.1 3,-0.2 -0.987 63.7-161.1-134.9 125.2 9.4 -15.0 5.8 69 69 A S H > S+ 0 0 73 -2,-0.4 4,-1.7 1,-0.2 5,-0.1 0.695 93.7 59.9 -75.6 -21.7 9.0 -14.3 9.5 70 70 A K H > S+ 0 0 169 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.809 107.6 46.5 -74.6 -30.1 10.9 -17.3 10.7 71 71 A S H > S+ 0 0 18 -6,-0.3 4,-1.5 -3,-0.2 -2,-0.2 0.770 109.8 54.3 -80.0 -27.4 14.0 -16.0 8.8 72 72 A V H X S+ 0 0 4 -4,-1.0 4,-2.0 -7,-0.2 -2,-0.2 0.881 112.5 43.9 -71.4 -39.0 13.4 -12.6 10.3 73 73 A A H X S+ 0 0 27 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.903 110.2 53.4 -72.1 -44.5 13.4 -14.1 13.8 74 74 A A H X S+ 0 0 30 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.867 111.1 49.0 -60.0 -35.8 16.4 -16.4 13.2 75 75 A A H >X S+ 0 0 3 -4,-1.5 3,-2.1 1,-0.2 4,-0.6 0.970 102.4 58.3 -67.7 -55.0 18.3 -13.3 12.1 76 76 A R H >< S+ 0 0 76 -4,-2.0 3,-0.6 1,-0.3 -1,-0.2 0.796 108.2 50.1 -45.4 -32.3 17.4 -11.1 15.1 77 77 A E H 3< S+ 0 0 124 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.739 97.2 65.3 -81.5 -22.9 19.0 -13.8 17.2 78 78 A R H << S+ 0 0 145 -3,-2.1 2,-1.7 -4,-0.7 -1,-0.2 0.552 75.7 105.5 -75.0 -4.1 22.2 -13.9 15.2 79 79 A V X< - 0 0 6 -4,-0.6 3,-3.1 -3,-0.6 4,-0.2 -0.574 56.7-169.2 -80.1 82.5 22.7 -10.3 16.5 80 80 A T T 3 S+ 0 0 121 -2,-1.7 -1,-0.2 1,-0.3 -2,-0.0 0.815 80.1 63.5 -38.9 -51.3 25.4 -11.0 19.0 81 81 A E T 3 S- 0 0 57 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.720 101.2-135.3 -53.1 -19.1 25.3 -7.6 20.6 82 82 A G S < S+ 0 0 69 -3,-3.1 2,-0.3 1,-0.2 -1,-0.1 0.744 74.9 78.5 68.7 21.5 21.7 -8.6 21.6 83 83 A R - 0 0 73 -4,-0.2 2,-0.5 -7,-0.0 -1,-0.2 -0.990 61.4-153.4-159.3 149.6 20.6 -5.1 20.5 84 84 A V + 0 0 4 -2,-0.3 -79,-0.2 41,-0.1 3,-0.2 -0.994 12.5 175.3-127.3 121.6 19.8 -3.1 17.4 85 85 A D S S+ 0 0 30 -81,-2.5 51,-1.6 -2,-0.5 2,-0.4 0.789 74.4 30.5 -94.3 -34.2 20.2 0.6 17.6 86 86 A V E -bd 5 136A 7 -82,-2.0 -80,-2.5 49,-0.2 2,-0.5 -0.963 63.8-169.8-132.6 115.9 19.5 1.5 13.9 87 87 A L E -bd 6 137A 1 49,-2.8 51,-3.6 -2,-0.4 2,-0.6 -0.913 5.5-167.9-103.7 124.4 17.1 -0.5 11.8 88 88 A V E -bd 7 138A 2 -82,-2.6 -80,-1.4 -2,-0.5 2,-1.1 -0.964 7.1-158.2-114.4 115.2 17.2 0.4 8.1 89 89 A C E + d 0 139A 7 49,-3.7 51,-2.0 -2,-0.6 -82,-0.1 -0.807 38.7 139.0 -96.5 98.2 14.3 -1.1 6.1 90 90 A N + 0 0 19 -2,-1.1 -1,-0.2 49,-0.2 -81,-0.1 0.661 18.1 121.3-114.5 -25.4 15.7 -1.0 2.6 91 91 A A + 0 0 23 -3,-0.2 2,-0.3 26,-0.0 -82,-0.1 -0.188 42.7 164.3 -46.8 125.3 14.7 -4.3 0.9 92 92 A G - 0 0 39 -83,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.944 28.2-155.9-145.1 165.3 12.6 -3.2 -2.1 93 93 A L - 0 0 73 -2,-0.3 2,-0.2 17,-0.2 21,-0.0 -0.998 10.4-148.7-145.4 142.4 11.2 -4.5 -5.4 94 94 A G - 0 0 52 -2,-0.3 2,-0.3 2,-0.0 58,-0.0 -0.663 8.5-172.2-109.6 166.5 10.2 -2.7 -8.6 95 95 A L - 0 0 37 -2,-0.2 60,-0.5 15,-0.0 2,-0.4 -0.877 5.5-176.2-159.6 122.4 7.6 -3.5 -11.2 96 96 A L + 0 0 49 -2,-0.3 56,-0.2 56,-0.1 55,-0.1 -0.950 35.7 69.0-125.7 144.5 7.1 -1.7 -14.5 97 97 A G S S- 0 0 2 54,-1.6 56,-0.3 -2,-0.4 2,-0.2 -0.598 83.4 -51.8 134.2 164.0 4.4 -2.2 -17.2 98 98 A P >> - 0 0 3 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.491 55.8-115.7 -70.5 140.2 0.7 -1.6 -17.8 99 99 A L G >4 S+ 0 0 92 1,-0.3 3,-2.1 2,-0.2 108,-0.0 0.857 111.4 53.3 -40.3 -57.2 -1.5 -3.1 -15.1 100 100 A E G 34 S+ 0 0 109 1,-0.3 -1,-0.3 -3,-0.0 107,-0.0 0.728 105.7 55.6 -57.6 -22.5 -3.3 -5.7 -17.2 101 101 A A G <4 S+ 0 0 14 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.557 86.9 100.3 -89.0 -5.9 0.1 -7.1 -18.4 102 102 A L S << S- 0 0 36 -3,-2.1 -5,-0.1 -4,-0.5 -7,-0.0 -0.612 74.5-121.4 -84.3 136.6 1.3 -7.7 -14.8 103 103 A G > - 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