==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ENDORIBONUCLEASE) 03-AUG-93 1SSA . COMPND 2 MOLECULE: RIBONUCLEASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR V.S.J.DEMEL,M.S.DOSCHER,M.A.GLINN,P.D.MARTIN,M.L.RAM,B.F.P.E . 124 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 73 58.9 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 . 35 28.2 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 . 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 . 1 0.8 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 . 8 6.5 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 . 1 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 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 0 1 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 0 237 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.3 23.5 0.5 22.5 2 2 A E - 0 0 78 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.601 360.0-117.7 -83.9 147.2 25.1 3.7 23.6 3 3 A T > - 0 0 82 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.288 26.5-104.9 -71.7 167.2 25.3 4.2 27.4 4 4 A A H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.872 122.4 56.0 -65.0 -37.5 23.5 7.0 29.2 5 5 A A H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 108.8 46.2 -61.2 -41.5 26.9 8.8 29.6 6 6 A A H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 111.3 50.8 -69.4 -41.3 27.5 8.7 25.8 7 7 A K H X S+ 0 0 99 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.836 106.1 57.0 -64.6 -35.5 24.0 9.9 24.9 8 8 A F H X S+ 0 0 4 -4,-1.9 4,-2.1 110,-0.2 5,-0.2 0.927 110.0 44.1 -59.9 -50.3 24.5 12.8 27.4 9 9 A E H X S+ 0 0 72 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.962 114.4 49.1 -59.1 -52.2 27.7 13.9 25.5 10 10 A R H < S+ 0 0 69 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.929 117.9 39.1 -53.2 -53.7 26.0 13.5 22.0 11 11 A Q H < S+ 0 0 28 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.746 132.6 18.1 -72.0 -29.4 22.9 15.4 22.9 12 12 A H H < S+ 0 0 16 -4,-2.1 35,-2.9 -5,-0.2 2,-0.5 0.624 91.5 94.9-126.6 -6.7 24.5 18.1 25.0 13 13 A M B < +a 47 0A 12 -4,-2.9 35,-0.2 -5,-0.2 2,-0.1 -0.797 26.8 159.5 -94.1 131.3 28.2 18.7 24.6 14 14 A D > + 0 0 6 33,-2.9 3,-0.7 -2,-0.5 32,-0.0 -0.627 9.5 153.2-141.1 74.1 29.6 21.3 22.3 15 15 A S T 3 + 0 0 65 1,-0.2 33,-0.1 33,-0.2 -1,-0.1 0.561 60.6 80.0 -79.0 -6.7 33.1 22.1 23.4 16 16 A S T 3 S+ 0 0 102 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.744 97.0 37.6 -73.9 -27.6 34.2 23.2 19.9 17 17 A T < - 0 0 49 -3,-0.7 -3,-0.1 32,-0.1 3,-0.1 -0.942 69.5-139.5-125.4 149.8 32.6 26.7 20.1 18 18 A S S S- 0 0 105 -2,-0.3 2,-0.3 1,-0.1 30,-0.2 0.679 84.6 -12.5 -77.4 -19.1 32.4 29.1 23.0 19 19 A A S S- 0 0 31 28,-0.1 2,-0.2 82,-0.0 -1,-0.1 -0.936 96.1 -59.6-166.9 170.5 28.8 30.2 22.3 20 20 A A - 0 0 21 -2,-0.3 3,-0.1 61,-0.2 81,-0.1 -0.486 42.7-154.6 -64.2 135.3 26.2 29.9 19.5 21 21 A S - 0 0 97 1,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.990 64.7 -13.0 -72.5 -65.4 27.6 31.4 16.4 22 22 A S S > S- 0 0 55 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.779 76.0 -87.6-133.9 174.8 24.4 32.4 14.6 23 23 A S T 3 S+ 0 0 95 1,-0.3 4,-0.3 -2,-0.2 3,-0.2 0.551 121.5 65.4 -65.7 -4.5 20.6 31.8 14.7 24 24 A N T 3> S+ 0 0 66 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.433 72.9 97.1 -98.1 2.4 21.3 28.8 12.5 25 25 A Y H <> S+ 0 0 8 -3,-2.6 4,-2.9 1,-0.2 5,-0.3 0.925 83.0 46.2 -57.8 -50.5 23.2 27.0 15.3 26 26 A a H > S+ 0 0 0 -4,-0.3 4,-3.3 1,-0.2 5,-0.4 0.945 110.3 53.3 -58.8 -48.5 20.2 24.9 16.5 27 27 A N H > S+ 0 0 41 -4,-0.3 4,-1.2 70,-0.3 -1,-0.2 0.928 116.3 39.4 -49.3 -53.5 19.1 23.8 13.0 28 28 A Q H X S+ 0 0 99 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.932 118.5 45.0 -66.0 -50.5 22.7 22.6 12.2 29 29 A M H X S+ 0 0 24 -4,-2.9 4,-2.5 -5,-0.2 6,-0.2 0.890 109.4 54.2 -67.4 -40.5 23.5 21.0 15.6 30 30 A M H <>S+ 0 0 0 -4,-3.3 5,-3.8 -5,-0.3 6,-0.5 0.893 117.0 39.0 -58.5 -41.5 20.1 19.2 16.1 31 31 A K H ><5S+ 0 0 77 -4,-1.2 3,-1.9 -5,-0.4 5,-0.2 0.961 114.9 54.2 -71.0 -51.9 20.6 17.5 12.6 32 32 A S H 3<5S+ 0 0 80 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.791 109.5 45.0 -48.4 -47.6 24.3 17.0 13.2 33 33 A R T 3<5S- 0 0 61 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.257 120.0-111.2 -86.0 9.3 24.0 15.1 16.5 34 34 A N T < 5S+ 0 0 98 -3,-1.9 3,-0.5 -5,-0.1 -3,-0.2 0.755 76.2 134.3 65.7 41.1 21.2 13.1 14.9 35 35 A L < + 0 0 14 -5,-3.8 6,-1.5 -6,-0.2 -4,-0.2 0.311 66.5 55.8 -96.4 3.8 18.3 14.6 16.9 36 36 A T S S+ 0 0 10 -6,-0.5 -1,-0.2 -5,-0.2 4,-0.1 -0.213 78.5 107.3-122.8 31.9 16.0 15.1 14.0 37 37 A K S S+ 0 0 67 -3,-0.5 -2,-0.1 2,-0.1 3,-0.1 0.975 93.8 3.0 -82.1 -82.3 16.0 11.6 12.6 38 38 A D S S+ 0 0 108 1,-0.1 2,-0.3 54,-0.0 -2,-0.1 0.913 141.1 2.8 -69.4 -42.2 12.7 9.8 13.2 39 39 A R S S- 0 0 152 -4,-0.1 2,-0.7 54,-0.0 -1,-0.1 -0.808 83.1 -93.6-134.9 171.6 11.2 12.9 14.8 40 40 A b - 0 0 16 -2,-0.3 -4,-0.2 -4,-0.1 52,-0.1 -0.859 40.1-134.8 -91.9 113.1 11.9 16.5 15.5 41 41 A K - 0 0 58 -6,-1.5 45,-0.1 -2,-0.7 3,-0.1 -0.632 17.8-146.6 -68.7 122.0 13.3 16.5 19.2 42 42 A P + 0 0 74 0, 0.0 44,-2.8 0, 0.0 2,-0.4 0.803 68.7 11.6 -59.9 -43.3 11.3 19.5 20.6 43 43 A V E + B 0 85A 47 42,-0.2 2,-0.3 54,-0.1 42,-0.2 -0.992 64.1 161.3-142.0 142.5 13.8 21.0 23.0 44 44 A N E - B 0 84A 5 40,-2.1 40,-3.0 -2,-0.4 2,-0.4 -0.947 22.1-143.4-158.0 154.6 17.5 20.4 23.7 45 45 A T E - B 0 83A 18 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.995 7.3-157.4-126.9 135.4 20.3 22.3 25.4 46 46 A F E - B 0 82A 0 36,-2.4 36,-3.1 -2,-0.4 2,-0.5 -0.935 7.6-150.6-115.4 137.7 24.0 22.5 24.4 47 47 A V E -aB 13 81A 0 -35,-2.9 -33,-2.9 -2,-0.4 2,-0.8 -0.936 1.5-156.8-110.1 125.5 26.7 23.3 26.8 48 48 A H + 0 0 7 32,-2.8 32,-0.4 -2,-0.5 2,-0.3 -0.723 57.2 97.0-104.5 73.6 29.8 25.0 25.5 49 49 A E S S- 0 0 52 -2,-0.8 -35,-0.3 30,-0.1 -2,-0.1 -0.898 83.4 -77.0-150.1 163.9 32.4 24.1 28.2 50 50 A S > - 0 0 51 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.267 39.5-119.9 -65.3 156.7 35.1 21.4 28.4 51 51 A L H > S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.874 115.6 57.5 -64.3 -37.5 33.8 17.9 29.1 52 52 A A H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 104.9 49.4 -60.7 -48.7 36.0 17.9 32.2 53 53 A D H > S+ 0 0 83 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.860 114.0 47.1 -61.3 -33.9 34.3 21.1 33.5 54 54 A V H >< S+ 0 0 0 -4,-1.7 3,-0.9 2,-0.2 4,-0.3 0.894 111.5 48.5 -75.4 -38.5 30.9 19.4 32.9 55 55 A Q H >< S+ 0 0 61 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.880 103.4 63.9 -67.5 -35.4 31.8 16.1 34.6 56 56 A A H >< S+ 0 0 39 -4,-2.5 3,-2.7 1,-0.3 -1,-0.3 0.674 84.5 74.9 -56.8 -28.4 33.1 18.1 37.6 57 57 A V G X< S+ 0 0 0 -3,-0.9 3,-2.1 -4,-0.5 -1,-0.3 0.751 79.4 73.0 -58.2 -28.5 29.6 19.4 38.3 58 58 A c G < S+ 0 0 5 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.528 99.0 47.0 -65.1 -6.6 28.8 16.0 39.7 59 59 A S G < S+ 0 0 95 -3,-2.7 -1,-0.3 14,-0.1 -2,-0.2 -0.015 103.3 79.6-118.9 24.7 31.0 17.0 42.6 60 60 A Q S < S- 0 0 42 -3,-2.1 2,-0.6 1,-0.2 15,-0.2 0.175 94.8 -11.5-105.8-138.8 29.4 20.4 43.1 61 61 A K E -D 74 0B 84 13,-1.9 13,-2.8 1,-0.1 2,-0.2 -0.502 62.3-140.3 -75.0 117.5 26.1 21.4 44.8 62 62 A N E +D 73 0B 91 -2,-0.6 2,-0.3 11,-0.2 11,-0.3 -0.421 35.1 158.9 -71.3 131.5 23.8 18.5 45.6 63 63 A V E -D 72 0B 44 9,-2.8 9,-1.1 -2,-0.2 2,-0.1 -0.935 45.5 -86.3-145.2 167.0 20.1 19.4 44.9 64 64 A A - 0 0 72 -2,-0.3 6,-0.2 7,-0.1 2,-0.2 -0.480 40.8-129.6 -76.7 150.7 16.9 17.5 44.3 65 65 A d > - 0 0 8 4,-2.9 3,-1.9 -2,-0.1 7,-0.1 -0.507 31.5-102.2 -88.7 162.7 16.2 16.6 40.6 66 66 A K T 3 S+ 0 0 144 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.746 124.6 57.5 -64.2 -26.0 12.8 17.5 39.2 67 67 A N T 3 S- 0 0 101 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.484 121.3-108.8 -84.9 -0.5 11.6 13.9 39.6 68 68 A G S < S+ 0 0 58 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 0.150 76.3 134.2 92.2 -12.8 12.5 14.1 43.4 69 69 A Q - 0 0 118 1,-0.1 -4,-2.9 -5,-0.1 -1,-0.4 -0.309 54.0-137.6 -64.7 156.9 15.5 11.8 43.1 70 70 A T S S+ 0 0 99 -6,-0.2 -1,-0.1 1,-0.2 -7,-0.1 0.150 77.5 93.4-104.5 11.6 18.6 13.2 45.0 71 71 A N + 0 0 33 -9,-0.1 39,-2.5 2,-0.0 2,-0.3 -0.038 58.5 115.1 -98.7 30.4 21.5 12.6 42.6 72 72 A d E -DE 63 109B 0 -9,-1.1 -9,-2.8 37,-0.2 2,-0.4 -0.782 44.8-164.3-100.5 147.6 21.4 16.0 40.9 73 73 A Y E -DE 62 108B 38 35,-2.5 35,-2.0 -2,-0.3 2,-0.4 -0.997 9.3-146.4-134.7 135.0 24.1 18.6 41.1 74 74 A Q E -DE 61 107B 47 -13,-2.8 -13,-1.9 -2,-0.4 33,-0.2 -0.790 26.6-115.8-103.1 134.0 24.2 22.3 40.3 75 75 A S - 0 0 0 31,-2.4 4,-0.1 -2,-0.4 -18,-0.0 -0.507 14.9-138.6 -68.3 145.8 27.3 23.9 38.9 76 76 A Y S S+ 0 0 136 -2,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.850 86.8 45.5 -69.6 -38.8 28.8 26.6 41.3 77 77 A S S S- 0 0 72 1,-0.1 29,-0.4 27,-0.1 2,-0.2 -0.630 94.3 -98.3-109.3 167.5 29.4 28.8 38.3 78 78 A T - 0 0 79 -2,-0.2 2,-0.3 27,-0.1 27,-0.3 -0.515 38.9-153.0 -78.1 148.1 27.4 30.0 35.3 79 79 A M E - C 0 104A 8 25,-4.3 25,-2.6 -2,-0.2 2,-0.5 -0.933 22.0-106.8-127.6 148.4 28.1 28.1 32.0 80 80 A S E + C 0 103A 11 -32,-0.4 -32,-2.8 -2,-0.3 2,-0.3 -0.627 52.9 165.7 -71.3 118.5 27.8 29.1 28.3 81 81 A I E -BC 47 102A 0 21,-2.7 21,-2.2 -2,-0.5 2,-0.4 -0.935 30.2-147.6-136.5 159.0 24.8 27.2 27.0 82 82 A T E -BC 46 101A 0 -36,-3.1 -36,-2.4 -2,-0.3 2,-0.5 -0.996 12.5-149.6-129.8 123.9 22.5 27.4 23.9 83 83 A D E -BC 45 100A 37 17,-3.0 17,-1.8 -2,-0.4 2,-0.5 -0.850 9.3-162.6 -95.8 129.7 18.8 26.5 24.1 84 84 A a E +BC 44 99A 0 -40,-3.0 -40,-2.1 -2,-0.5 2,-0.4 -0.964 12.9 176.5-114.9 120.2 17.2 25.0 21.0 85 85 A R E -BC 43 98A 149 13,-2.1 13,-3.0 -2,-0.5 -42,-0.2 -0.992 31.6-115.0-133.2 128.7 13.5 25.0 20.8 86 86 A E E - 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0 0 46 -27,-0.3 20,-5.1 -2,-0.3 2,-0.3 -0.735 40.0-144.2 -88.4 139.7 24.0 27.2 36.0 106 106 A I E - F 0 124B 0 -29,-0.4 -31,-2.4 -2,-0.3 2,-0.5 -0.801 6.3-154.4-109.3 150.0 23.3 23.6 34.9 107 107 A I E -EF 74 123B 10 16,-2.2 15,-1.6 -2,-0.3 16,-1.5 -0.999 20.6-178.7-122.8 117.6 21.8 20.9 37.0 108 108 A V E -EF 73 121B 0 -35,-2.0 -35,-2.5 -2,-0.5 2,-0.5 -0.883 27.2-128.4-118.8 154.2 22.8 17.4 35.9 109 109 A A E -EF 72 120B 6 11,-2.3 10,-3.1 -2,-0.3 11,-1.2 -0.847 33.2-149.6-100.3 130.7 21.9 13.9 37.3 110 110 A c E + F 0 118B 1 -39,-2.5 2,-0.3 -2,-0.5 6,-0.1 -0.831 18.9 175.1-112.7 146.6 25.0 11.9 37.9 111 111 A E E - F 0 117B 91 6,-2.4 6,-3.8 -2,-0.4 -53,-0.0 -0.956 39.7 -66.4-144.4 160.3 25.7 8.2 37.8 112 112 A G E F 0 116B 65 -2,-0.3 4,-0.3 4,-0.3 -1,-0.0 -0.033 360.0 360.0 -52.2 143.1 28.6 5.8 38.1 113 113 A N 0 0 132 2,-3.1 4,-0.0 -108,-0.0 -1,-0.0 -0.627 360.0 360.0-151.0 360.0 31.5 5.7 35.7 114 !* 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 0.0 115 114 B P 0 0 115 0, 0.0 -2,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -78.7 33.5 7.6 38.6 116 115 B Y E +F 112 0B 87 -4,-0.3 -4,-0.3 -6,-0.1 -58,-0.2 -0.892 360.0 174.7 -98.0 123.3 30.4 9.9 38.9 117 116 B V E -F 111 0B 6 -6,-3.8 -6,-2.4 -2,-0.5 -62,-0.1 -0.961 36.5 -95.9-132.9 147.6 29.4 11.2 35.4 118 117 B P E +F 110 0B 4 0, 0.0 -8,-0.2 0, 0.0 -110,-0.2 -0.334 40.7 164.2 -59.4 135.5 26.5 13.3 34.0 119 118 B V E + 0 0 9 -10,-3.1 2,-0.3 1,-0.4 -9,-0.2 0.459 64.5 24.3-128.4 -16.3 23.7 11.2 32.5 120 119 B H E -F 109 0B 112 -11,-1.2 -11,-2.3 3,-0.0 2,-0.8 -0.973 62.7-135.0-153.7 148.6 20.9 13.8 32.3 121 120 B L E -F 108 0B 31 -2,-0.3 -13,-0.2 -13,-0.2 3,-0.1 -0.955 24.3-179.8-105.1 104.4 20.5 17.5 32.0 122 121 B D E - 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