==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-05 1YMR . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.XU,M.NARAYAN,I.KURINOV,D.R.RIPOLL,E.WELKER,M.KHALILI, . 124 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6959.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 58.1 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 . 7 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 13.7 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 0 1 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 0 241 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.6 -43.2 43.8 -19.9 2 2 A E - 0 0 79 1,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.426 360.0-121.7 -64.2 131.4 -43.6 42.6 -16.3 3 3 A T > - 0 0 91 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.422 21.8-113.5 -74.0 158.5 -42.7 38.9 -15.9 4 4 A A H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.840 119.2 54.8 -59.9 -33.7 -45.5 36.5 -14.7 5 5 A A H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.928 110.4 45.0 -66.0 -43.1 -43.4 36.0 -11.5 6 6 A A H > S+ 0 0 37 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.890 111.0 53.3 -67.8 -41.1 -43.3 39.8 -10.9 7 7 A K H X S+ 0 0 98 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.911 106.7 52.8 -61.4 -42.6 -47.0 40.2 -11.6 8 8 A F H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 5,-0.5 0.921 110.7 47.7 -58.1 -43.8 -47.8 37.5 -9.1 9 9 A E H X S+ 0 0 80 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.938 113.5 46.6 -63.6 -48.2 -45.7 39.5 -6.5 10 10 A R H < S+ 0 0 62 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.892 120.8 38.6 -62.3 -38.8 -47.3 42.8 -7.3 11 11 A Q H < S+ 0 0 35 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.769 133.4 15.3 -85.5 -21.8 -50.8 41.3 -7.2 12 12 A H H < S+ 0 0 12 -4,-2.5 35,-3.0 -5,-0.2 2,-0.4 0.606 95.7 88.7-131.0 -14.1 -50.5 38.9 -4.3 13 13 A M B < +a 47 0A 9 -4,-2.0 35,-0.2 -5,-0.5 3,-0.1 -0.760 26.6 162.4 -97.8 136.9 -47.5 39.4 -2.0 14 14 A D > + 0 0 14 33,-3.0 3,-1.3 -2,-0.4 -1,-0.1 -0.407 15.5 152.7-141.4 60.4 -47.5 41.6 1.0 15 15 A S T 3 + 0 0 57 1,-0.2 33,-0.1 33,-0.1 35,-0.1 0.711 61.4 71.2 -63.2 -27.8 -44.5 40.3 3.0 16 16 A S T 3 S+ 0 0 121 -3,-0.1 2,-0.3 33,-0.1 -1,-0.2 0.550 97.9 50.2 -71.3 -9.9 -43.8 43.6 4.7 17 17 A T S < S- 0 0 57 -3,-1.3 -3,-0.1 32,-0.1 3,-0.1 -0.958 71.5-142.9-128.5 147.1 -46.9 43.4 7.0 18 18 A S S S- 0 0 103 -2,-0.3 2,-0.3 1,-0.2 30,-0.2 0.694 79.9 -27.6 -80.0 -19.8 -48.0 40.5 9.2 19 19 A A S S- 0 0 27 28,-0.1 -1,-0.2 82,-0.0 63,-0.1 -0.947 86.0 -59.9-177.3 174.2 -51.6 41.0 8.5 20 20 A A - 0 0 23 -2,-0.3 3,-0.1 61,-0.2 81,-0.0 -0.400 37.1-158.4 -67.3 152.6 -54.2 43.7 7.6 21 21 A S + 0 0 114 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.258 67.6 8.3-119.8 11.3 -54.4 46.5 10.2 22 22 A S S > S- 0 0 54 1,-0.0 3,-1.6 0, 0.0 -1,-0.2 -0.940 80.9 -95.2-175.5 165.8 -57.9 47.9 9.5 23 23 A S T 3 S+ 0 0 91 -2,-0.3 76,-0.3 1,-0.3 4,-0.3 0.568 119.6 63.2 -68.0 -11.6 -61.0 47.3 7.4 24 24 A N T 3> + 0 0 80 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.358 68.4 103.5 -96.4 6.9 -59.6 49.6 4.8 25 25 A Y H <> S+ 0 0 11 -3,-1.6 4,-3.1 1,-0.2 5,-0.2 0.920 83.8 45.9 -51.7 -48.5 -56.6 47.5 4.0 26 26 A a H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 5,-0.4 0.897 108.6 53.4 -67.4 -42.5 -58.1 46.2 0.8 27 27 A N H > S+ 0 0 54 70,-0.3 4,-1.2 -4,-0.3 -1,-0.2 0.950 115.9 43.0 -56.9 -43.1 -59.3 49.6 -0.4 28 28 A Q H X S+ 0 0 117 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.950 118.0 42.0 -66.8 -50.9 -55.7 50.8 0.1 29 29 A M H X S+ 0 0 22 -4,-3.1 4,-2.4 2,-0.2 6,-0.3 0.886 110.2 53.9 -66.2 -45.0 -53.9 47.8 -1.4 30 30 A M H <>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 6,-0.3 0.890 115.0 44.7 -58.6 -37.4 -56.1 47.2 -4.5 31 31 A K H ><5S+ 0 0 143 -4,-1.2 3,-1.4 -5,-0.4 5,-0.2 0.955 115.1 43.7 -73.3 -49.9 -55.5 50.8 -5.4 32 32 A S H 3<5S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.778 111.4 53.6 -69.7 -22.4 -51.8 51.0 -4.8 33 33 A R T 3<5S- 0 0 56 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 0.340 115.5-116.7 -92.3 9.4 -51.0 47.7 -6.5 34 34 A N T < 5S+ 0 0 107 -3,-1.4 3,-0.4 -5,-0.1 -3,-0.2 0.783 73.4 134.3 62.4 36.3 -52.9 49.0 -9.6 35 35 A L < + 0 0 12 -5,-2.5 6,-1.7 -6,-0.3 -4,-0.2 0.176 67.1 52.4 -97.1 16.0 -55.7 46.4 -9.5 36 36 A T S S+ 0 0 13 -6,-0.3 -1,-0.2 -5,-0.2 59,-0.1 0.327 73.1 109.7-132.1 8.0 -58.5 48.9 -10.0 37 37 A K S S+ 0 0 140 -3,-0.4 3,-0.1 1,-0.2 -2,-0.1 0.944 97.7 3.1 -48.1 -71.4 -57.5 50.9 -13.1 38 38 A D S S+ 0 0 134 1,-0.3 2,-0.3 55,-0.1 -1,-0.2 0.672 140.9 12.3 -96.3 -20.9 -59.9 49.8 -15.8 39 39 A R S S- 0 0 162 52,-0.1 2,-1.0 54,-0.1 -1,-0.3 -0.987 79.1-108.8-158.0 142.2 -62.0 47.5 -13.7 40 40 A b - 0 0 12 -2,-0.3 -4,-0.2 -3,-0.1 46,-0.1 -0.693 42.8-127.8 -73.7 106.4 -62.5 46.9 -10.0 41 41 A K - 0 0 56 -6,-1.7 45,-0.1 -2,-1.0 3,-0.1 -0.428 17.7-138.3 -58.0 127.7 -60.9 43.4 -9.9 42 42 A P S S+ 0 0 57 0, 0.0 44,-3.0 0, 0.0 2,-0.3 0.838 75.1 6.0 -59.1 -40.9 -63.7 41.4 -8.1 43 43 A V E + B 0 85A 71 42,-0.2 2,-0.3 54,-0.0 42,-0.2 -0.995 64.6 164.3-147.7 147.1 -61.6 39.3 -5.7 44 44 A N E - B 0 84A 4 40,-2.0 40,-2.3 -2,-0.3 2,-0.4 -0.935 19.1-148.7-163.1 140.6 -57.9 39.3 -4.8 45 45 A T E - B 0 83A 9 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.946 4.0-157.3-119.3 139.0 -55.9 37.8 -2.1 46 46 A F E - B 0 82A 0 36,-2.2 36,-2.3 -2,-0.4 2,-0.5 -0.928 13.1-142.7-112.0 136.6 -52.6 39.1 -0.5 47 47 A V E -aB 13 81A 0 -35,-3.0 -33,-3.0 -2,-0.4 2,-0.8 -0.885 4.6-159.4-104.7 125.0 -50.3 36.8 1.3 48 48 A H + 0 0 8 32,-2.9 32,-0.3 -2,-0.5 2,-0.3 -0.576 59.1 98.5 -99.9 60.9 -48.5 38.0 4.5 49 49 A E S S- 0 0 55 -2,-0.8 -35,-0.2 30,-0.1 -32,-0.1 -0.919 83.8 -79.9-139.0 165.0 -45.6 35.5 4.5 50 50 A S > - 0 0 50 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.257 34.8-120.6 -65.9 155.8 -42.1 35.8 3.3 51 51 A L H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.884 114.8 58.2 -62.9 -36.4 -41.4 35.4 -0.4 52 52 A A H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.926 107.2 46.9 -59.6 -45.2 -39.1 32.5 0.5 53 53 A D H > S+ 0 0 85 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.916 113.7 46.5 -65.5 -42.0 -42.0 30.7 2.2 54 54 A V H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 4,-0.2 0.906 111.2 51.7 -67.7 -39.5 -44.5 31.3 -0.7 55 55 A Q H >< S+ 0 0 72 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.875 100.8 63.4 -62.8 -36.3 -41.9 30.2 -3.3 56 56 A A H >< S+ 0 0 43 -4,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.748 84.8 76.9 -60.1 -24.9 -41.3 27.0 -1.4 57 57 A V G X< S+ 0 0 0 -3,-0.9 3,-1.6 -4,-0.7 -1,-0.3 0.736 77.6 74.0 -58.3 -23.8 -44.9 26.1 -2.0 58 58 A c G < S+ 0 0 8 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.588 101.1 41.3 -69.3 -12.2 -44.0 25.1 -5.6 59 59 A S G < S+ 0 0 109 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.165 104.7 86.0-117.3 13.4 -42.3 21.9 -4.3 60 60 A Q S < S- 0 0 47 -3,-1.6 2,-0.5 1,-0.2 15,-0.1 0.007 98.0 -19.5 -90.6-154.3 -45.1 21.2 -1.8 61 61 A K E -D 74 0B 90 13,-0.9 13,-2.7 1,-0.1 2,-0.4 -0.355 64.2-143.1 -61.1 108.0 -48.3 19.4 -2.5 62 62 A N E +D 73 0B 93 -2,-0.5 11,-0.3 11,-0.2 2,-0.3 -0.581 33.1 159.9 -74.4 122.1 -49.1 19.3 -6.2 63 63 A V E -D 72 0B 31 9,-2.9 9,-1.6 -2,-0.4 2,-0.3 -0.836 43.9 -90.5-134.2 169.9 -52.8 19.6 -6.9 64 64 A A - 0 0 68 -2,-0.3 6,-0.2 7,-0.1 5,-0.1 -0.699 40.3-123.9 -86.7 137.4 -55.0 20.5 -9.9 65 65 A d > - 0 0 7 4,-2.9 3,-1.7 -2,-0.3 -1,-0.1 -0.240 34.0 -98.6 -68.6 168.2 -55.9 24.3 -10.2 66 66 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.752 126.1 53.3 -66.1 -21.7 -59.6 25.1 -10.4 67 67 A N T 3 S- 0 0 104 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.492 124.9-103.3 -87.0 -3.8 -59.5 25.4 -14.2 68 68 A G S < S+ 0 0 48 -3,-1.7 -2,-0.1 1,-0.3 0, 0.0 0.176 70.1 149.1 102.6 -16.4 -57.9 21.9 -14.4 69 69 A Q - 0 0 92 1,-0.1 -4,-2.9 -5,-0.1 3,-0.4 -0.227 44.5-139.9 -51.3 140.6 -54.3 22.9 -15.0 70 70 A T S S+ 0 0 114 -6,-0.2 -1,-0.1 1,-0.2 2,-0.1 0.537 83.1 79.5 -83.5 -7.6 -52.0 20.4 -13.4 71 71 A N + 0 0 25 -9,-0.1 39,-2.4 2,-0.0 2,-0.3 -0.133 61.5 116.6 -97.8 38.0 -49.3 22.8 -12.0 72 72 A d E -DE 63 109B 0 -9,-1.6 -9,-2.9 -3,-0.4 2,-0.4 -0.742 42.9-163.1-101.2 152.9 -51.0 24.1 -8.8 73 73 A Y E -DE 62 108B 30 35,-2.4 35,-2.2 -2,-0.3 2,-0.4 -0.998 8.7-144.7-139.3 137.8 -49.6 23.4 -5.3 74 74 A Q E -DE 61 107B 38 -13,-2.7 -13,-0.9 -2,-0.4 33,-0.2 -0.857 25.8-114.9-105.6 138.7 -51.2 23.7 -1.9 75 75 A S - 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C 0 97A 37 -44,-3.0 11,-0.2 -2,-0.5 9,-0.0 -0.445 28.5-142.9 -68.4 139.8 -65.3 44.0 -4.3 87 87 A T - 0 0 59 9,-2.7 -1,-0.1 -2,-0.1 9,-0.1 0.124 20.8 -93.4 -84.6-156.9 -68.7 45.2 -3.1 88 88 A G S S+ 0 0 58 3,-0.0 8,-0.1 0, 0.0 -1,-0.1 0.830 102.2 51.2 -84.3 -97.2 -71.8 46.3 -4.9 89 89 A S S S+ 0 0 107 6,-0.1 6,-0.1 2,-0.0 7,-0.0 0.531 82.7 95.1 -0.5-113.2 -72.0 50.1 -5.3 90 90 A S - 0 0 19 1,-0.1 2,-0.4 4,-0.1 5,-0.2 0.699 47.3-167.3 9.8 135.2 -68.6 51.1 -6.8 91 91 A K B > -G 94 0C 161 3,-0.6 3,-2.5 4,-0.1 -1,-0.1 -0.989 48.8 -54.6-138.7 124.7 -67.8 51.6 -10.5 92 92 A A T 3 S+ 0 0 43 -2,-0.4 -55,-0.1 1,-0.4 -54,-0.0 -0.063 125.5 18.3 -46.8 140.5 -64.2 51.9 -11.6 93 93 A P T 3 S+ 0 0 85 0, 0.0 2,-0.7 0, 0.0 -1,-0.4 -0.889 121.7 65.2 -89.6 23.8 -62.0 53.7 -10.6 94 94 A N B < S+G 91 0C 127 -3,-2.5 -3,-0.6 2,-0.0 -2,-0.1 -0.415 74.7 161.8-101.8 59.9 -64.2 54.2 -7.5 95 95 A b - 0 0 27 -2,-0.7 2,-0.3 -5,-0.2 -4,-0.1 -0.250 24.4-157.8 -74.1 159.3 -64.0 50.6 -6.3 96 96 A A - 0 0 30 -8,-0.1 -9,-2.7 -6,-0.1 2,-0.3 -0.987 9.3-160.8-145.5 134.5 -64.9 49.5 -2.7 97 97 A Y E -C 86 0A 12 -2,-0.3 2,-0.5 -11,-0.2 -70,-0.3 -0.923 18.4-138.4-126.7 144.9 -63.6 46.3 -1.0 98 98 A K E -C 85 0A 126 -13,-2.9 -13,-1.9 -2,-0.3 2,-0.5 -0.838 28.3-145.4 -94.7 128.7 -64.5 44.1 2.0 99 99 A T E +C 84 0A 22 -2,-0.5 2,-0.4 -76,-0.3 -15,-0.2 -0.837 18.9 179.5 -99.5 130.2 -61.4 43.1 3.9 100 100 A T E -C 83 0A 67 -17,-2.3 -17,-3.0 -2,-0.5 2,-0.3 -0.890 10.1-161.6-135.4 106.9 -61.1 39.7 5.5 101 101 A Q E +C 82 0A 66 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.633 29.0 147.3 -82.0 138.1 -57.9 38.7 7.3 102 102 A A E -C 81 0A 22 -21,-2.6 -21,-2.7 -2,-0.3 2,-0.5 -0.943 47.6-116.7-159.7 178.7 -57.5 34.9 7.9 103 103 A N E +C 80 0A 102 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.952 51.6 138.6-131.7 105.5 -55.1 32.0 8.1 104 104 A K E -C 79 0A 64 -25,-2.0 -25,-2.4 -2,-0.5 2,-0.2 -0.905 56.0 -92.5-143.7 166.9 -55.6 29.4 5.4 105 105 A H - 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