==== 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 1YMN . 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) . 6979.0 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 . 32 25.8 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 . 9 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.5 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 . 0 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 0 233 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.1 11.5 20.7 -52.6 2 2 A E - 0 0 86 1,-0.1 2,-0.1 4,-0.1 0, 0.0 -0.478 360.0-125.1 -67.4 132.1 8.9 23.5 -51.9 3 3 A T > - 0 0 85 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.366 18.4-113.5 -75.4 161.4 8.7 24.2 -48.1 4 4 A A H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.875 118.4 52.8 -62.8 -36.4 5.4 24.0 -46.3 5 5 A A H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 110.8 46.3 -65.3 -40.9 5.5 27.7 -45.6 6 6 A A H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.889 111.6 51.6 -69.0 -38.5 6.1 28.5 -49.3 7 7 A K H X S+ 0 0 91 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.882 106.7 54.5 -65.4 -38.3 3.3 26.1 -50.4 8 8 A F H X S+ 0 0 5 -4,-2.1 4,-2.4 109,-0.2 5,-0.4 0.925 108.8 48.4 -61.1 -44.6 1.0 27.9 -47.9 9 9 A E H X S+ 0 0 72 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.952 114.1 45.6 -59.7 -49.9 1.8 31.3 -49.6 10 10 A R H < S+ 0 0 64 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.896 119.8 39.9 -61.4 -41.6 1.2 29.8 -53.1 11 11 A Q H < S+ 0 0 25 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.796 129.8 21.5 -81.0 -27.6 -2.0 28.1 -52.2 12 12 A H H < S+ 0 0 11 -4,-2.4 35,-3.3 -5,-0.2 2,-0.4 0.617 93.7 92.8-122.6 -10.7 -3.6 30.6 -49.9 13 13 A M B < +a 47 0A 11 -4,-2.1 35,-0.2 -5,-0.4 2,-0.2 -0.728 27.9 163.6 -95.3 132.6 -2.3 34.2 -50.4 14 14 A D > + 0 0 2 33,-2.6 3,-0.5 -2,-0.4 32,-0.0 -0.647 10.5 156.4-140.5 81.2 -3.9 36.8 -52.7 15 15 A S T 3 + 0 0 70 1,-0.2 33,-0.1 33,-0.2 -1,-0.1 0.361 63.5 70.2 -86.6 3.2 -2.5 40.2 -51.6 16 16 A S T 3 S+ 0 0 105 1,-0.1 2,-0.3 33,-0.1 -1,-0.2 0.644 97.2 44.7 -98.2 -14.9 -3.1 41.8 -55.0 17 17 A T < - 0 0 50 -3,-0.5 3,-0.1 32,-0.1 -1,-0.1 -0.960 68.5-141.4-126.9 147.0 -7.0 42.0 -54.9 18 18 A S S S- 0 0 107 -2,-0.3 2,-0.3 1,-0.2 30,-0.2 0.649 84.1 -18.2 -79.5 -15.3 -9.2 43.1 -52.0 19 19 A A S S- 0 0 24 28,-0.1 2,-0.3 82,-0.0 -1,-0.2 -0.962 87.6 -66.7-176.7 166.8 -11.7 40.4 -52.9 20 20 A A - 0 0 19 -2,-0.3 81,-0.1 1,-0.1 3,-0.1 -0.555 43.4-165.4 -66.7 125.2 -12.9 38.0 -55.7 21 21 A S + 0 0 116 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.575 63.6 18.8 -93.9 -10.4 -14.3 40.4 -58.4 22 22 A S S > S- 0 0 62 1,-0.0 3,-1.7 0, 0.0 4,-0.3 -0.975 78.9-106.4-152.6 163.9 -16.2 37.8 -60.5 23 23 A S T 3 S+ 0 0 101 -2,-0.3 3,-0.3 1,-0.3 4,-0.3 0.699 117.7 63.6 -66.0 -15.6 -17.6 34.3 -60.3 24 24 A N T 3> S+ 0 0 81 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.460 72.1 100.3 -87.0 -2.5 -14.7 33.3 -62.5 25 25 A Y H <> S+ 0 0 15 -3,-1.7 4,-3.0 1,-0.2 5,-0.3 0.910 81.5 47.0 -49.2 -54.0 -12.1 34.2 -59.9 26 26 A a H > S+ 0 0 0 -3,-0.3 4,-2.8 -4,-0.3 5,-0.3 0.916 107.7 54.5 -60.7 -44.3 -11.6 30.6 -58.6 27 27 A N H > S+ 0 0 42 -4,-0.3 4,-1.0 70,-0.3 -1,-0.2 0.936 116.4 39.7 -55.0 -44.6 -11.2 29.0 -62.1 28 28 A Q H X S+ 0 0 93 -4,-2.0 4,-2.8 2,-0.2 3,-0.3 0.952 117.5 46.3 -70.7 -50.0 -8.5 31.5 -62.9 29 29 A M H X S+ 0 0 14 -4,-3.0 4,-2.0 1,-0.2 6,-0.2 0.869 107.0 57.0 -62.6 -40.9 -6.7 31.5 -59.5 30 30 A M H <>S+ 0 0 0 -4,-2.8 5,-3.0 -5,-0.3 6,-0.3 0.872 114.7 40.1 -60.3 -35.9 -6.7 27.7 -59.1 31 31 A K H ><5S+ 0 0 117 -4,-1.0 3,-1.9 -5,-0.3 -2,-0.2 0.909 112.2 54.7 -78.4 -43.7 -4.8 27.5 -62.4 32 32 A S H 3<5S+ 0 0 77 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.783 111.6 45.7 -60.8 -27.5 -2.5 30.5 -61.8 33 33 A R T 3<5S- 0 0 59 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.199 117.3-114.0-100.3 14.2 -1.3 29.0 -58.5 34 34 A N T < 5S+ 0 0 102 -3,-1.9 3,-0.3 1,-0.1 -3,-0.2 0.850 72.8 135.2 56.8 44.9 -0.8 25.6 -60.1 35 35 A L < + 0 0 10 -5,-3.0 6,-2.1 -6,-0.2 -4,-0.2 0.186 68.8 48.7-104.2 14.1 -3.5 23.7 -58.2 36 36 A T S S+ 0 0 18 -6,-0.3 -1,-0.2 4,-0.2 4,-0.1 0.073 71.8 117.8-139.0 25.5 -5.0 21.9 -61.2 37 37 A K S S- 0 0 153 -3,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.964 99.0 -6.3 -62.8 -59.0 -1.9 20.4 -62.9 38 38 A D S S+ 0 0 129 1,-0.4 2,-0.3 54,-0.0 -1,-0.2 0.341 142.2 18.2-120.3 5.4 -2.6 16.7 -62.7 39 39 A R S S- 0 0 156 54,-0.1 2,-0.7 52,-0.0 -1,-0.4 -0.909 81.6-108.6-170.7 141.3 -5.7 16.9 -60.6 40 40 A b - 0 0 6 -2,-0.3 -4,-0.2 -4,-0.1 46,-0.1 -0.708 35.0-129.3 -78.6 116.6 -8.3 19.5 -59.7 41 41 A K - 0 0 47 -6,-2.1 45,-0.2 -2,-0.7 3,-0.1 -0.567 21.5-145.1 -64.0 123.4 -7.6 20.4 -56.0 42 42 A P S S+ 0 0 51 0, 0.0 44,-2.8 0, 0.0 2,-0.4 0.837 70.4 16.1 -65.2 -38.1 -11.2 20.1 -54.8 43 43 A V E + B 0 85A 59 42,-0.2 2,-0.3 54,-0.1 42,-0.2 -1.000 65.5 158.3-142.0 144.0 -11.3 22.8 -52.2 44 44 A N E - B 0 84A 4 40,-2.4 40,-2.9 -2,-0.4 2,-0.4 -0.988 23.5-144.4-158.8 152.9 -9.2 25.8 -51.4 45 45 A T E - B 0 83A 11 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.977 8.2-159.3-125.3 136.2 -9.3 29.2 -49.7 46 46 A F E - B 0 82A 0 36,-2.7 36,-2.6 -2,-0.4 2,-0.5 -0.946 10.7-146.6-113.1 137.7 -7.6 32.4 -50.7 47 47 A V E -aB 13 81A 0 -35,-3.3 -33,-2.6 -2,-0.4 2,-1.3 -0.913 2.2-151.9-107.4 121.5 -7.0 35.2 -48.2 48 48 A H + 0 0 7 32,-3.1 32,-0.5 -2,-0.5 2,-0.3 -0.607 62.3 94.0 -92.4 71.4 -7.1 38.8 -49.5 49 49 A E S S- 0 0 52 -2,-1.3 -35,-0.3 30,-0.1 -2,-0.1 -0.930 84.2 -77.4-149.0 167.8 -4.7 40.4 -47.0 50 50 A S > - 0 0 51 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.318 40.0-118.0 -66.9 156.0 -1.0 41.2 -46.9 51 51 A L H > S+ 0 0 60 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.899 116.4 58.1 -61.7 -39.1 1.4 38.4 -46.2 52 52 A A H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 104.2 50.7 -56.9 -46.2 2.4 40.2 -43.0 53 53 A D H 4 S+ 0 0 84 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.879 113.6 44.1 -60.5 -40.5 -1.2 40.2 -41.7 54 54 A V H >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 4,-0.3 0.902 112.6 51.5 -73.4 -39.0 -1.6 36.5 -42.3 55 55 A Q H >< S+ 0 0 66 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.865 101.2 63.4 -63.9 -35.2 1.8 35.6 -40.8 56 56 A A G >< S+ 0 0 38 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.715 83.0 78.0 -62.3 -22.4 0.9 37.7 -37.7 57 57 A V G X S+ 0 0 0 -3,-1.0 3,-2.1 -4,-0.5 -1,-0.3 0.792 77.3 74.5 -59.3 -26.2 -1.9 35.2 -37.0 58 58 A c G < S+ 0 0 6 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.543 101.1 41.5 -65.1 -7.4 0.8 32.8 -35.6 59 59 A S G < S+ 0 0 96 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.097 105.3 79.0-123.7 19.6 1.0 35.1 -32.5 60 60 A Q S < S- 0 0 42 -3,-2.1 2,-0.7 1,-0.2 15,-0.2 0.297 97.0 -8.8 -99.4-131.0 -2.7 35.6 -32.1 61 61 A K E -D 74 0B 117 13,-1.7 13,-2.9 1,-0.1 2,-0.4 -0.549 60.5-146.5 -79.5 112.6 -5.3 33.3 -30.6 62 62 A N E +D 73 0B 84 -2,-0.7 2,-0.3 11,-0.2 11,-0.3 -0.596 30.1 172.9 -73.8 122.0 -3.9 29.8 -29.9 63 63 A V E -D 72 0B 40 9,-2.5 9,-0.6 -2,-0.4 44,-0.0 -0.894 37.2 -83.1-129.1 161.2 -6.8 27.4 -30.5 64 64 A A - 0 0 94 -2,-0.3 2,-0.3 7,-0.1 6,-0.1 -0.286 40.7-133.8 -63.0 145.5 -7.1 23.6 -30.6 65 65 A d > - 0 0 13 4,-1.0 3,-1.6 1,-0.1 -1,-0.1 -0.734 14.6-125.7 -97.0 151.8 -6.3 21.8 -33.8 66 66 A K T 3 S+ 0 0 169 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.890 115.1 52.4 -60.0 -39.5 -8.5 19.1 -35.3 67 67 A N T 3 S- 0 0 100 1,-0.1 -1,-0.3 -3,-0.0 3,-0.1 0.310 118.4-113.3 -81.3 8.2 -5.4 16.9 -35.3 68 68 A G S < S+ 0 0 63 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.442 71.4 134.9 77.3 -2.6 -4.7 17.5 -31.6 69 69 A Q - 0 0 92 1,-0.1 -4,-1.0 -5,-0.0 3,-0.3 -0.354 58.1-130.9 -75.3 164.8 -1.5 19.4 -32.2 70 70 A T S S+ 0 0 119 1,-0.2 -1,-0.1 -6,-0.1 -6,-0.0 0.246 84.4 88.5-101.2 16.0 -0.9 22.7 -30.2 71 71 A N + 0 0 13 -9,-0.1 39,-2.7 2,-0.0 2,-0.4 0.057 54.9 114.8-105.1 26.8 0.1 24.8 -33.2 72 72 A d E -DE 63 109B 0 -9,-0.6 -9,-2.5 -3,-0.3 2,-0.4 -0.780 40.6-171.8-100.3 139.3 -3.2 26.2 -34.5 73 73 A Y E -DE 62 108B 39 35,-3.0 35,-2.4 -2,-0.4 2,-0.4 -0.989 13.3-150.7-132.6 139.7 -4.0 29.9 -34.4 74 74 A Q E -DE 61 107B 53 -13,-2.9 -13,-1.7 -2,-0.4 33,-0.2 -0.896 28.2-115.9-107.1 138.1 -7.2 31.9 -35.1 75 75 A S - 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C 0 97A 48 -44,-2.8 11,-0.3 -2,-0.4 9,-0.0 -0.240 36.2-114.4 -54.4 138.6 -14.8 22.3 -57.4 87 87 A T - 0 0 47 9,-2.3 3,-0.4 1,-0.1 9,-0.1 -0.300 23.8-111.0 -72.1 161.0 -18.3 21.7 -59.0 88 88 A G S S+ 0 0 94 1,-0.2 -1,-0.1 -2,-0.0 -2,-0.1 0.754 118.4 43.3 -66.5 -23.5 -19.8 18.3 -59.0 89 89 A S S S+ 0 0 110 2,-0.0 -1,-0.2 7,-0.0 -3,-0.0 0.619 86.5 123.2 -96.0 -16.0 -19.4 18.0 -62.8 90 90 A S + 0 0 14 -3,-0.4 2,-0.3 6,-0.2 5,-0.2 -0.028 31.2 164.7 -49.1 147.0 -15.9 19.5 -63.1 91 91 A K - 0 0 123 3,-0.6 3,-0.4 -52,-0.0 -52,-0.0 -0.973 30.2 -41.3-162.9 151.9 -13.1 17.5 -64.7 92 92 A L S S+ 0 0 57 -2,-0.3 -55,-0.1 1,-0.3 -54,-0.0 -0.133 106.8 14.1 -54.9 152.9 -9.6 17.9 -66.2 93 93 A P S S+ 0 0 106 0, 0.0 2,-1.5 0, 0.0 -1,-0.3 -0.972 128.6 46.4 -88.1 -16.1 -8.1 19.8 -67.8 94 94 A N S S- 0 0 120 -3,-0.4 -3,-0.6 -54,-0.0 2,-0.1 -0.582 78.1-166.2 -86.1 73.1 -10.7 22.5 -67.5 95 95 A b - 0 0 12 -2,-1.5 2,-0.4 -5,-0.2 -64,-0.1 -0.411 6.2-150.8 -64.3 132.4 -11.4 22.4 -63.7 96 96 A A - 0 0 32 -9,-0.1 -9,-2.3 -2,-0.1 2,-0.3 -0.908 15.1-174.3-112.5 135.7 -14.5 24.3 -62.7 97 97 A Y E -C 86 0A 11 -2,-0.4 2,-0.5 -11,-0.3 -70,-0.3 -0.923 25.9-129.3-131.5 152.8 -15.1 26.0 -59.4 98 98 A K E -C 85 0A 137 -13,-2.4 -13,-1.6 -2,-0.3 2,-0.5 -0.844 28.8-146.1 -95.2 131.4 -17.8 27.8 -57.4 99 99 A T E -C 84 0A 23 -2,-0.5 2,-0.4 -76,-0.2 -15,-0.2 -0.877 17.5-178.9-104.0 129.5 -16.5 31.1 -55.9 100 100 A T E -C 83 0A 72 -17,-2.1 -17,-3.0 -2,-0.5 2,-0.4 -0.974 9.4-159.7-131.3 119.9 -17.7 32.4 -52.5 101 101 A Q E +C 82 0A 66 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.802 27.0 142.7 -99.5 135.1 -16.6 35.7 -51.1 102 102 A A E -C 81 0A 25 -21,-2.5 -21,-3.1 -2,-0.4 2,-0.5 -0.951 47.7-115.9-158.4 174.8 -16.9 36.4 -47.4 103 103 A N E +C 80 0A 105 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.968 51.7 142.7-124.6 110.7 -15.2 38.1 -44.3 104 104 A K E -C 79 0A 41 -25,-2.1 -25,-2.5 -2,-0.5 2,-0.2 -0.940 53.0 -96.1-145.7 163.8 -14.2 35.6 -41.7 105 105 A H - 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