==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-AUG-10 2XOG . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR N.THIYAGARAJAN,B.D.SMITH,R.T.RAINES,K.R.ACHARYA . 241 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 14 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 2 0 0 2 2 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 4 0 2 2 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 . 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 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 2 A E 0 0 149 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.0 35.2 18.2 10.1 2 3 A T > - 0 0 94 1,-0.1 4,-2.3 4,-0.0 5,-0.1 -0.342 360.0-113.0 -72.4 159.7 33.5 17.4 13.4 3 4 A A H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.862 119.6 51.0 -61.9 -38.9 33.8 13.9 15.0 4 5 A A H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 110.5 49.2 -63.2 -44.0 30.1 13.2 14.3 5 6 A A H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.876 108.4 53.7 -62.4 -40.6 30.5 14.3 10.7 6 7 A K H X S+ 0 0 99 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.900 107.2 51.1 -61.8 -43.6 33.6 12.0 10.3 7 8 A F H X S+ 0 0 5 -4,-1.9 4,-2.7 108,-0.2 5,-0.4 0.907 110.0 49.7 -59.0 -44.1 31.5 9.0 11.6 8 9 A E H X S+ 0 0 81 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.887 114.2 45.1 -63.7 -39.2 28.8 9.8 9.1 9 10 A R H < S+ 0 0 55 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.894 121.5 37.4 -70.1 -41.9 31.4 10.0 6.2 10 11 A Q H < S+ 0 0 32 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.826 132.4 18.0 -78.8 -33.9 33.3 6.8 7.3 11 12 A H H < S+ 0 0 11 -4,-2.7 34,-2.8 -5,-0.2 2,-0.5 0.493 98.1 87.8-127.4 -6.6 30.5 4.5 8.5 12 13 A M B < +a 45 0A 12 -4,-1.3 34,-0.2 -5,-0.4 32,-0.1 -0.888 25.0 149.1-109.1 125.5 27.0 5.6 7.2 13 14 A D - 0 0 34 32,-2.7 2,-0.1 -2,-0.5 35,-0.1 -0.539 31.6-158.6-143.7 74.2 25.4 4.5 3.9 14 15 A S + 0 0 62 -2,-0.0 2,-0.3 0, 0.0 33,-0.2 -0.334 26.6 150.2 -63.5 125.8 21.7 4.5 4.6 15 16 A S 0 0 70 31,-2.7 -2,-0.1 -2,-0.1 31,-0.0 -0.926 360.0 360.0-159.9 131.5 19.8 2.3 2.1 16 17 A T 0 0 199 -2,-0.3 31,-0.0 31,-0.0 30,-0.0 0.237 360.0 360.0-109.9 360.0 16.6 0.2 2.3 17 ! 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 18 20 A A 0 0 127 0, 0.0 2,-0.1 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 -53.1 22.7 -4.9 -2.2 19 21 A S - 0 0 18 1,-0.1 80,-0.2 2,-0.1 78,-0.0 -0.268 360.0-142.5 -58.9 118.8 26.4 -4.2 -2.2 20 22 A S > - 0 0 58 -2,-0.1 3,-1.4 1,-0.1 4,-0.4 -0.149 31.0 -97.6 -72.8 173.1 28.1 -5.5 -5.3 21 23 A S T 3 S+ 0 0 97 1,-0.3 4,-0.3 2,-0.1 76,-0.2 0.689 128.6 51.6 -64.2 -17.9 31.6 -7.0 -5.5 22 24 A N T 3> S+ 0 0 86 1,-0.1 4,-1.8 2,-0.1 -1,-0.3 0.509 82.6 97.6 -92.0 -9.6 32.8 -3.5 -6.6 23 25 A Y H <> S+ 0 0 24 -3,-1.4 4,-2.9 1,-0.2 5,-0.2 0.888 84.1 41.8 -52.3 -55.9 31.1 -1.7 -3.7 24 26 A a H > S+ 0 0 0 -4,-0.4 4,-2.7 1,-0.2 5,-0.4 0.887 110.3 57.3 -63.2 -41.7 34.1 -1.3 -1.3 25 27 A N H > S+ 0 0 64 70,-0.3 4,-0.6 -4,-0.3 -1,-0.2 0.893 117.0 35.4 -54.2 -41.3 36.5 -0.4 -4.1 26 28 A Q H X S+ 0 0 125 -4,-1.8 4,-2.6 -3,-0.2 -2,-0.2 0.880 119.4 47.9 -80.7 -42.2 34.3 2.6 -5.1 27 29 A M H X S+ 0 0 24 -4,-2.9 4,-2.1 -5,-0.2 6,-0.2 0.864 106.5 54.7 -71.7 -39.8 33.0 3.6 -1.6 28 30 A M H <>S+ 0 0 0 -4,-2.7 5,-2.7 -5,-0.2 6,-0.5 0.857 115.6 42.6 -61.6 -34.1 36.4 3.6 0.2 29 31 A K H ><5S+ 0 0 154 -4,-0.6 3,-1.8 -5,-0.4 5,-0.3 0.946 114.0 47.9 -73.9 -52.5 37.6 6.0 -2.6 30 32 A S H 3<5S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.778 111.2 51.3 -64.5 -29.1 34.5 8.3 -2.7 31 33 A R T 3<5S- 0 0 60 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.228 116.4-114.8 -93.3 12.2 34.3 8.7 1.1 32 34 A N T < 5S+ 0 0 100 -3,-1.8 3,-0.3 1,-0.1 -3,-0.2 0.836 76.2 130.1 61.9 41.1 38.0 9.7 1.1 33 35 A L S - 0 0 50 -34,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.258 34.3-117.4 -67.6 156.3 18.8 5.1 9.0 49 51 A L H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.903 117.3 55.5 -58.9 -41.3 20.9 7.8 10.8 50 52 A A H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 107.5 48.5 -56.3 -45.6 18.1 7.9 13.4 51 53 A D H 4 S+ 0 0 49 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.872 114.5 44.4 -65.5 -39.1 18.4 4.2 14.1 52 54 A V H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 4,-0.4 0.905 111.6 52.4 -73.7 -42.0 22.2 4.3 14.4 53 55 A Q H >< S+ 0 0 70 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.864 101.6 62.9 -57.9 -36.7 22.1 7.4 16.6 54 56 A A G >< S+ 0 0 22 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.691 83.8 77.3 -62.2 -21.2 19.6 5.6 18.9 55 57 A V G X S+ 0 0 0 -3,-1.3 3,-2.1 -4,-0.4 -1,-0.3 0.791 77.6 73.6 -61.4 -26.1 22.3 3.0 19.7 56 58 A c G < S+ 0 0 4 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.604 101.0 43.6 -64.5 -11.4 23.9 5.6 22.1 57 59 A S G < S+ 0 0 21 -3,-1.8 -1,-0.3 -4,-0.1 81,-0.2 0.232 105.0 81.0-112.8 8.4 20.9 4.9 24.4 58 60 A Q S < S- 0 0 9 -3,-2.1 2,-0.5 1,-0.2 15,-0.2 0.286 93.1 -13.2 -96.5-140.3 21.0 1.1 24.1 59 61 A K E -D 72 0B 97 13,-1.6 13,-3.1 1,-0.1 2,-0.4 -0.487 61.8-138.6 -76.4 114.3 23.2 -1.6 25.7 60 62 A N E +D 71 0B 79 -2,-0.5 2,-0.3 11,-0.2 11,-0.3 -0.525 33.3 167.7 -69.1 120.4 26.3 -0.3 27.5 61 63 A V E -D 70 0B 28 9,-2.2 9,-0.8 -2,-0.4 2,-0.1 -0.934 41.0 -88.4-131.9 156.1 29.3 -2.5 26.8 62 64 A A - 0 0 85 -2,-0.3 2,-0.2 7,-0.1 6,-0.2 -0.398 42.6-126.8 -62.8 136.3 33.1 -2.2 27.3 63 65 A d > - 0 0 9 4,-2.4 3,-2.0 1,-0.1 -1,-0.1 -0.543 20.1-115.2 -77.2 151.8 35.0 -0.5 24.5 64 66 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.816 118.4 53.6 -54.2 -31.6 38.0 -2.3 22.9 65 67 A N T 3 S- 0 0 110 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.381 122.7-104.2 -87.5 1.8 40.2 0.6 24.3 66 68 A G S < S+ 0 0 61 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.0 0.284 78.7 129.6 94.7 -10.1 38.9 0.2 27.9 67 69 A Q - 0 0 98 1,-0.1 -4,-2.4 -5,-0.1 -1,-0.3 -0.294 57.1-136.2 -71.3 163.3 36.6 3.2 27.9 68 70 A T S S+ 0 0 108 -6,-0.2 -1,-0.1 1,-0.2 -7,-0.0 0.224 79.6 93.4-107.4 14.1 33.0 2.8 29.1 69 71 A N + 0 0 20 -9,-0.1 39,-2.4 2,-0.0 2,-0.3 -0.062 58.0 113.0-101.1 33.0 31.2 4.9 26.4 70 72 A d E -DE 61 107B 0 -9,-0.8 -9,-2.2 37,-0.2 2,-0.4 -0.809 44.4-165.4-106.3 149.9 30.4 2.0 24.0 71 73 A Y E -DE 60 106B 35 35,-2.5 35,-2.1 -2,-0.3 2,-0.4 -0.998 10.4-146.6-140.2 133.9 26.9 0.7 23.1 72 74 A Q E -DE 59 105B 42 -13,-3.1 -13,-1.6 -2,-0.4 33,-0.2 -0.857 27.6-115.1-103.2 134.6 25.6 -2.4 21.4 73 75 A S - 0 0 2 31,-2.3 4,-0.1 -2,-0.4 -18,-0.1 -0.428 11.6-145.8 -67.7 135.9 22.5 -2.4 19.2 74 76 A Y S S+ 0 0 25 78,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.861 86.7 48.3 -70.1 -36.6 19.6 -4.4 20.5 75 77 A S S S- 0 0 34 77,-0.2 29,-0.4 1,-0.1 2,-0.1 -0.707 96.4-104.7 -98.9 154.5 18.5 -5.3 17.0 76 78 A T - 0 0 76 -2,-0.3 2,-0.3 27,-0.1 27,-0.3 -0.447 37.1-148.4 -70.9 153.0 20.8 -6.6 14.2 77 79 A M E - C 0 102A 12 25,-2.9 25,-2.1 -2,-0.1 2,-0.4 -0.959 18.2-110.2-128.3 144.5 21.7 -4.1 11.5 78 80 A S E + C 0 101A 40 -2,-0.3 -32,-2.9 23,-0.2 -31,-0.5 -0.619 52.0 165.9 -70.4 121.3 22.4 -4.4 7.7 79 81 A I E -BC 45 100A 0 21,-2.8 21,-2.4 -2,-0.4 2,-0.4 -0.897 32.9-143.9-135.3 163.4 26.1 -3.7 7.2 80 82 A T E -BC 44 99A 0 -36,-2.6 -36,-2.8 -2,-0.3 2,-0.4 -0.987 15.2-152.5-130.6 123.2 28.9 -4.0 4.7 81 83 A D E -BC 43 98A 25 17,-3.0 17,-2.0 -2,-0.4 2,-0.5 -0.797 4.3-157.9 -93.4 133.6 32.5 -4.9 5.7 82 84 A a E -BC 42 97A 0 -40,-2.8 -40,-2.1 -2,-0.4 2,-0.4 -0.962 13.3-179.1-113.1 120.2 35.4 -3.7 3.6 83 85 A R E -BC 41 96A 121 13,-1.9 13,-3.1 -2,-0.5 -42,-0.2 -0.981 30.0-115.1-125.3 128.1 38.7 -5.6 4.0 84 86 A E E - C 0 95A 63 -44,-2.8 11,-0.3 -2,-0.4 9,-0.0 -0.320 33.0-129.3 -61.7 133.8 41.9 -4.8 2.1 85 87 A T - 0 0 48 9,-2.6 3,-0.3 1,-0.1 9,-0.2 -0.233 17.2-112.8 -77.7 170.8 43.0 -7.6 -0.3 86 88 A G S S+ 0 0 80 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.879 116.5 48.5 -70.3 -39.8 46.5 -9.2 -0.4 87 89 A S S S+ 0 0 104 2,-0.0 -1,-0.2 6,-0.0 2,-0.1 0.488 84.3 124.8 -81.0 -4.8 47.3 -7.7 -3.9 88 90 A S + 0 0 9 -3,-0.3 2,-0.4 6,-0.2 5,-0.2 -0.367 35.3 178.0 -62.5 127.1 46.2 -4.2 -2.8 89 91 A K B > -G 92 0C 158 3,-1.2 3,-1.4 -2,-0.1 -2,-0.0 -0.967 32.1 -83.9-137.6 119.8 48.8 -1.5 -3.3 90 92 A Y T 3 S+ 0 0 122 -2,-0.4 -54,-0.0 1,-0.3 -56,-0.0 -0.291 112.0 26.2 -53.6 138.5 48.4 2.2 -2.6 91 93 A P T 3 S+ 0 0 91 0, 0.0 2,-1.7 0, 0.0 -1,-0.3 -1.000 125.1 54.8 -80.9 -7.3 47.3 4.4 -4.4 92 94 A N B < S-G 89 0C 131 -3,-1.4 -3,-1.2 -54,-0.0 2,-0.2 -0.505 79.4-173.3 -86.7 69.2 45.2 1.6 -6.0 93 95 A b - 0 0 20 -2,-1.7 2,-0.4 -5,-0.2 -64,-0.1 -0.445 4.8-159.3 -67.9 131.8 43.7 0.2 -2.8 94 96 A A - 0 0 25 -2,-0.2 -9,-2.6 -9,-0.2 2,-0.3 -0.940 8.3-168.9-122.5 138.1 41.7 -2.9 -3.4 95 97 A Y E -C 84 0A 8 -2,-0.4 2,-0.4 -11,-0.3 -70,-0.3 -0.936 23.3-133.8-132.8 145.3 38.9 -4.4 -1.2 96 98 A K E -C 83 0A 108 -13,-3.1 -13,-1.9 -2,-0.3 2,-0.5 -0.809 28.3-143.7 -88.2 136.0 36.8 -7.5 -0.6 97 99 A T E +C 82 0A 28 -2,-0.4 2,-0.4 -76,-0.2 -15,-0.2 -0.913 21.6 176.1-106.4 123.7 33.1 -6.6 -0.0 98 100 A T E -C 81 0A 58 -17,-2.0 -17,-3.0 -2,-0.5 2,-0.2 -0.971 16.6-150.3-132.5 119.5 31.1 -8.7 2.4 99 101 A Q E +C 80 0A 102 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.592 25.2 167.8 -80.2 145.9 27.4 -8.0 3.4 100 102 A A E -C 79 0A 17 -21,-2.4 -21,-2.8 -2,-0.2 2,-0.5 -0.973 36.3-138.2-151.2 162.6 26.2 -9.0 6.9 101 103 A N E +C 78 0A 114 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.942 50.7 137.5-124.4 106.4 23.4 -8.6 9.4 102 104 A K E -C 77 0A 81 -25,-2.1 -25,-2.9 -2,-0.5 2,-0.3 -0.935 58.2 -92.8-145.9 160.3 24.9 -8.1 12.8 103 105 A H - 0 0 55 19,-2.0 19,-2.8 -2,-0.3 2,-0.3 -0.608 45.8-142.7 -72.1 139.4 24.7 -6.1 16.1 104 106 A I E - F 0 121B 0 -29,-0.4 -31,-2.3 -2,-0.3 2,-0.5 -0.804 7.7-151.1-106.8 150.5 26.9 -3.1 16.0 105 107 A I E +EF 72 120B 15 15,-3.0 14,-2.4 -2,-0.3 15,-1.5 -0.986 22.1 173.6-120.5 121.1 29.0 -1.5 18.7 106 108 A V E -EF 71 118B 0 -35,-2.1 -35,-2.5 -2,-0.5 2,-0.4 -0.899 28.2-129.3-124.0 153.2 29.7 2.2 18.6 107 109 A A E -EF 70 117B 7 10,-2.4 9,-3.0 -2,-0.3 10,-1.2 -0.871 27.1-155.8 -98.3 138.3 31.4 4.8 20.9 108 110 A c E + F 0 115B 1 -39,-2.4 2,-0.3 -2,-0.4 5,-0.1 -0.873 17.2 164.7-119.7 148.3 29.4 7.9 21.7 109 111 A E E > + F 0 114B 105 5,-2.2 5,-1.9 -2,-0.3 2,-0.0 -0.985 31.2 22.6-152.8 156.1 30.5 11.4 22.8 110 112 A G T 5S- 0 0 55 -2,-0.3 6,-0.0 3,-0.2 -2,-0.0 -0.175 83.9 -40.6 94.4-176.6 29.3 15.0 23.1 111 113 A N T 5S+ 0 0 157 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.886 133.8 38.8-134.0 104.5 26.1 17.1 23.4 112 114 A P T 5S- 0 0 78 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 0.387 109.3-128.0 -66.9 151.0 24.1 15.8 21.6 113 115 A Y T 5 + 0 0 62 -2,-0.2 -3,-0.2 26,-0.1 -57,-0.1 -0.667 49.5 155.9 -79.1 103.2 25.4 12.4 22.5 114 116 A V E < -F 109 0B 23 -5,-1.9 -5,-2.2 -2,-0.9 2,-0.1 -0.834 47.8 -79.6-132.3 161.8 26.1 10.8 19.1 115 117 A P E +F 108 0B 7 0, 0.0 -7,-0.3 0, 0.0 -108,-0.2 -0.414 43.3 162.9 -65.8 135.7 28.3 8.1 17.6 116 118 A V E + 0 0 32 -9,-3.0 2,-0.3 1,-0.3 -8,-0.2 0.440 63.2 31.8-126.2 -9.9 31.9 9.1 16.9 117 119 A H E -F 107 0B 85 -10,-1.2 -10,-2.4 -111,-0.0 2,-0.7 -0.989 64.8-135.8-154.7 136.1 33.7 5.7 16.5 118 120 A F E +F 106 0B 23 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.880 27.2 174.8 -94.6 115.6 32.8 2.3 15.1 119 121 A D E - 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