==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAY-10 3MZR . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR I.I.MATHEWS . 124 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 57.3 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 . 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 . 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 0 258 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.7 10.4 -19.6 -31.7 2 2 A E - 0 0 76 1,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.427 360.0-116.7 -66.6 138.2 14.1 -19.1 -30.9 3 3 A T > - 0 0 91 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.362 22.4-115.3 -68.9 160.0 15.0 -19.9 -27.3 4 4 A A H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.900 116.6 50.0 -63.9 -44.6 16.2 -17.1 -25.1 5 5 A A H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 112.5 47.3 -60.8 -42.2 19.7 -18.7 -24.7 6 6 A A H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.881 109.2 52.7 -69.0 -37.5 19.9 -19.3 -28.5 7 7 A K H X S+ 0 0 97 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.919 108.2 52.4 -60.6 -40.5 18.9 -15.7 -29.2 8 8 A F H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.928 109.6 49.6 -60.2 -44.8 21.7 -14.5 -26.9 9 9 A E H X S+ 0 0 73 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.949 113.3 45.1 -61.1 -49.9 24.2 -16.6 -28.7 10 10 A R H < S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 120.2 39.1 -61.4 -42.2 23.1 -15.3 -32.1 11 11 A Q H < S+ 0 0 28 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.814 130.4 21.7 -78.0 -30.9 23.0 -11.7 -31.1 12 12 A H H < S+ 0 0 12 -4,-2.4 35,-2.6 -5,-0.3 2,-0.5 0.513 95.5 87.7-127.0 -4.6 26.0 -11.5 -28.9 13 13 A M B < +a 47 0A 12 -4,-2.0 35,-0.2 -5,-0.3 2,-0.1 -0.886 28.2 157.1-104.3 128.2 28.7 -14.2 -29.4 14 14 A D > + 0 0 5 33,-2.8 3,-0.7 -2,-0.5 36,-0.1 -0.603 8.3 156.7-142.2 82.9 31.5 -13.9 -31.9 15 15 A S T 3 + 0 0 66 1,-0.2 33,-0.1 33,-0.2 35,-0.1 0.370 57.4 82.0 -79.4 -6.5 34.2 -16.3 -30.8 16 16 A S T 3 S+ 0 0 103 33,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.521 93.4 43.7 -88.0 -6.1 35.8 -16.7 -34.2 17 17 A T < - 0 0 47 -3,-0.7 3,-0.1 32,-0.1 -3,-0.1 -0.968 69.1-141.1-135.4 148.5 37.8 -13.5 -34.0 18 18 A S S S- 0 0 106 -2,-0.3 2,-0.3 1,-0.3 30,-0.2 0.682 85.6 -12.3 -75.0 -22.8 39.9 -12.0 -31.2 19 19 A A S S- 0 0 33 28,-0.1 2,-0.3 61,-0.1 -1,-0.3 -0.961 90.2 -66.0-172.4 153.3 38.7 -8.5 -32.1 20 20 A A - 0 0 19 -2,-0.3 81,-0.1 61,-0.2 3,-0.1 -0.438 42.7-156.6 -52.1 114.2 36.9 -6.4 -34.6 21 21 A S - 0 0 97 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.676 62.4 -15.2 -63.1 -31.0 39.2 -6.4 -37.7 22 22 A S S > S- 0 0 52 1,-0.0 3,-1.9 0, 0.0 4,-0.3 -0.983 76.9 -79.2-171.8 169.6 38.0 -3.2 -39.3 23 23 A S T 3 S+ 0 0 90 -2,-0.3 4,-0.3 1,-0.3 3,-0.3 0.715 121.2 57.8 -65.1 -19.9 35.4 -0.5 -39.5 24 24 A N T 3> S+ 0 0 84 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.460 75.2 98.8 -91.3 3.5 33.1 -2.7 -41.6 25 25 A Y H <> S+ 0 0 6 -3,-1.9 4,-2.6 1,-0.2 5,-0.3 0.912 84.4 46.1 -55.3 -49.5 32.9 -5.5 -39.0 26 26 A a H > S+ 0 0 0 -4,-0.3 4,-2.8 -3,-0.3 5,-0.4 0.920 108.5 54.1 -66.5 -41.7 29.5 -4.3 -37.7 27 27 A N H > S+ 0 0 57 -4,-0.3 4,-1.4 70,-0.3 -1,-0.2 0.945 115.3 42.5 -54.5 -45.4 27.9 -3.8 -41.1 28 28 A Q H X S+ 0 0 119 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.907 117.6 42.6 -67.9 -46.6 28.9 -7.4 -41.9 29 29 A M H X S+ 0 0 22 -4,-2.6 4,-2.5 2,-0.2 6,-0.2 0.856 110.2 55.4 -75.0 -37.4 28.0 -9.1 -38.6 30 30 A M H <>S+ 0 0 0 -4,-2.8 5,-2.7 -5,-0.3 6,-0.4 0.917 114.0 43.0 -59.5 -39.8 24.7 -7.2 -38.1 31 31 A K H ><5S+ 0 0 147 -4,-1.4 3,-1.6 -5,-0.4 5,-0.3 0.948 115.3 47.3 -71.0 -48.1 23.6 -8.5 -41.5 32 32 A S H 3<5S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.823 108.8 52.7 -68.6 -29.8 24.8 -12.0 -41.1 33 33 A R T 3<5S- 0 0 62 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.352 117.1-114.8 -86.9 12.4 23.4 -12.5 -37.6 34 34 A N T < 5S+ 0 0 80 -3,-1.6 3,-0.4 -5,-0.1 -3,-0.2 0.862 74.7 134.8 58.7 41.4 20.0 -11.4 -39.1 35 35 A L < + 0 0 9 -5,-2.7 6,-1.9 -6,-0.2 -4,-0.2 0.291 66.5 53.6 -98.2 7.9 19.8 -8.3 -37.0 36 36 A T S S+ 0 0 25 -6,-0.4 -1,-0.2 -5,-0.3 59,-0.1 0.023 70.9 120.1-127.4 30.2 18.7 -6.1 -40.0 37 37 A K S S- 0 0 118 -3,-0.4 3,-0.1 1,-0.2 -2,-0.1 0.946 94.9 -9.4 -66.8 -60.7 15.7 -8.0 -41.4 38 38 A D S S+ 0 0 142 1,-0.3 2,-0.3 55,-0.0 -1,-0.2 0.527 140.4 17.7-111.1 -15.0 12.8 -5.6 -41.1 39 39 A R S S- 0 0 149 -4,-0.0 2,-0.7 53,-0.0 -1,-0.3 -0.956 85.1-103.7-150.6 152.3 14.4 -2.9 -39.1 40 40 A b - 0 0 6 -2,-0.3 -4,-0.2 -3,-0.1 52,-0.1 -0.793 37.3-126.1 -78.4 118.6 18.0 -1.9 -38.3 41 41 A K - 0 0 34 -6,-1.9 45,-0.1 -2,-0.7 3,-0.1 -0.487 22.0-145.4 -61.8 127.7 18.7 -3.1 -34.8 42 42 A P S S+ 0 0 61 0, 0.0 44,-2.4 0, 0.0 2,-0.4 0.904 71.1 13.5 -72.6 -36.0 20.0 0.2 -33.3 43 43 A V E + B 0 85A 49 42,-0.2 2,-0.3 54,-0.1 42,-0.2 -0.998 65.0 162.2-140.7 136.4 22.6 -1.1 -30.8 44 44 A N E - B 0 84A 2 40,-2.6 40,-2.2 -2,-0.4 2,-0.4 -0.907 20.6-149.8-159.7 133.3 24.3 -4.5 -30.4 45 45 A T E - B 0 83A 12 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.870 7.1-159.7-105.9 134.2 27.4 -5.8 -28.7 46 46 A F E - B 0 82A 0 36,-2.7 36,-2.5 -2,-0.4 2,-0.5 -0.894 10.6-144.9-108.3 138.4 29.4 -8.9 -29.8 47 47 A V E -aB 13 81A 0 -35,-2.6 -33,-2.8 -2,-0.4 2,-1.1 -0.921 1.1-153.9-107.4 126.7 31.7 -10.7 -27.4 48 48 A H + 0 0 7 32,-3.1 32,-0.4 -2,-0.5 2,-0.3 -0.565 61.8 93.8-101.9 65.0 35.0 -12.2 -28.7 49 49 A E S S- 0 0 54 -2,-1.1 -35,-0.2 30,-0.1 -2,-0.1 -0.920 85.3 -75.9-141.6 170.3 35.5 -14.9 -26.1 50 50 A S > - 0 0 50 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.289 37.9-120.3 -65.6 153.9 34.6 -18.5 -26.0 51 51 A L H > S+ 0 0 63 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.917 115.4 56.5 -58.2 -41.7 30.9 -19.5 -25.4 52 52 A A H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 106.2 48.9 -57.6 -44.2 32.1 -21.3 -22.2 53 53 A D H 4 S+ 0 0 84 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.876 113.3 46.7 -68.0 -34.4 33.8 -18.2 -20.9 54 54 A V H >< S+ 0 0 1 -4,-1.9 3,-1.3 1,-0.2 4,-0.4 0.928 111.9 50.6 -73.4 -41.7 30.7 -16.1 -21.5 55 55 A Q H >< S+ 0 0 68 -4,-3.1 3,-1.5 1,-0.3 -2,-0.2 0.866 101.2 63.8 -59.2 -37.2 28.5 -18.7 -19.9 56 56 A A G >< S+ 0 0 42 -4,-2.0 3,-2.0 1,-0.3 -1,-0.3 0.728 83.5 77.1 -60.9 -23.2 30.8 -18.8 -16.9 57 57 A V G X S+ 0 0 0 -3,-1.3 3,-2.2 -4,-0.5 -1,-0.3 0.830 78.4 73.1 -57.8 -28.4 29.8 -15.2 -16.1 58 58 A c G < S+ 0 0 3 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.576 100.8 43.7 -65.0 -8.2 26.5 -16.5 -14.7 59 59 A S G < S+ 0 0 106 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.196 104.3 81.2-115.3 14.0 28.5 -17.8 -11.7 60 60 A Q S < S- 0 0 46 -3,-2.2 2,-0.6 1,-0.2 15,-0.2 0.382 96.4 -16.0 -96.3-139.7 30.6 -14.7 -11.3 61 61 A K E -D 74 0B 130 13,-1.6 13,-2.8 1,-0.1 2,-0.4 -0.598 61.6-139.9 -81.9 118.8 29.7 -11.4 -9.6 62 62 A N E +D 73 0B 90 -2,-0.6 2,-0.3 11,-0.2 11,-0.3 -0.578 34.8 162.6 -76.0 127.8 25.9 -10.9 -9.0 63 63 A V E -D 72 0B 37 9,-2.3 9,-0.9 -2,-0.4 2,-0.1 -0.917 42.1 -88.3-140.5 157.1 24.9 -7.3 -9.7 64 64 A A - 0 0 73 -2,-0.3 2,-0.2 7,-0.1 6,-0.2 -0.437 38.3-128.1 -65.5 143.9 21.7 -5.4 -10.4 65 65 A d > - 0 0 8 4,-2.7 3,-2.5 -2,-0.1 -1,-0.1 -0.603 28.7-107.0 -80.3 157.7 20.5 -5.2 -13.9 66 66 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.863 122.5 55.9 -55.7 -33.4 19.6 -1.7 -15.2 67 67 A N T 3 S- 0 0 111 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.402 122.2-106.1 -82.8 4.4 15.9 -2.7 -15.0 68 68 A G S < S+ 0 0 56 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.1 0.288 75.2 135.0 87.4 -4.7 16.2 -3.6 -11.3 69 69 A Q - 0 0 115 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.377 52.5-139.6 -70.2 160.8 16.1 -7.3 -11.7 70 70 A T S S+ 0 0 108 -6,-0.2 -1,-0.1 1,-0.2 -6,-0.1 0.095 78.6 90.8-110.9 17.3 18.7 -9.3 -9.6 71 71 A N + 0 0 29 -9,-0.1 39,-2.6 2,-0.0 2,-0.3 -0.011 60.9 114.7-103.9 26.3 19.7 -12.0 -12.2 72 72 A d E -DE 63 109B 0 -9,-0.9 -9,-2.3 37,-0.2 2,-0.4 -0.737 44.6-165.3-100.0 152.0 22.6 -10.0 -13.7 73 73 A Y E -DE 62 108B 33 35,-2.3 35,-2.2 -2,-0.3 2,-0.5 -0.998 10.3-146.7-138.2 137.4 26.3 -11.0 -13.4 74 74 A Q E -DE 61 107B 53 -13,-2.8 -13,-1.6 -2,-0.4 33,-0.2 -0.912 28.1-115.1-109.5 126.6 29.4 -9.0 -14.1 75 75 A S - 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C 0 97A 69 -44,-2.4 11,-0.3 -2,-0.4 2,-0.2 -0.334 34.2-141.4 -63.3 141.0 23.7 2.8 -36.2 87 87 A T > - 0 0 49 9,-2.0 3,-1.6 1,-0.1 9,-0.2 -0.450 29.2 -99.6 -91.6 170.4 25.2 6.0 -37.6 88 88 A G T 3 S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.800 122.6 60.0 -60.1 -31.2 23.3 9.0 -38.9 89 89 A S T 3 S+ 0 0 101 2,-0.0 2,-0.5 6,-0.0 -1,-0.3 0.532 82.8 111.4 -73.1 -7.7 23.7 7.7 -42.5 90 90 A S < + 0 0 17 -3,-1.6 2,-0.3 6,-0.2 5,-0.2 -0.580 34.9 157.9 -74.5 123.9 21.8 4.5 -41.5 91 91 A K - 0 0 167 3,-1.5 -3,-0.0 -2,-0.5 -2,-0.0 -0.920 48.5 -78.8-147.0 117.0 18.4 4.2 -43.1 92 92 A Y S S+ 0 0 102 -2,-0.3 2,-0.2 -52,-0.1 -54,-0.0 -0.270 114.2 31.1 -55.6 135.8 16.6 0.8 -43.5 93 93 A P S S+ 0 0 75 0, 0.0 -2,-0.3 0, 0.0 -53,-0.1 0.721 123.1 43.3 -73.8-162.4 17.4 -1.1 -45.7 94 94 A N S S- 0 0 138 -2,-0.2 -3,-1.5 -58,-0.1 2,-0.1 0.996 83.9-166.7 58.4 54.2 21.1 -0.2 -46.1 95 95 A b - 0 0 27 -5,-0.2 2,-0.3 -59,-0.1 -1,-0.1 -0.393 1.8-156.6 -65.5 155.1 21.7 -0.1 -42.4 96 96 A A - 0 0 19 -9,-0.2 -9,-2.0 -2,-0.1 2,-0.4 -0.978 9.3-169.3-143.9 131.1 25.0 1.5 -41.4 97 97 A Y E -C 86 0A 11 -2,-0.3 2,-0.4 -11,-0.3 -70,-0.3 -0.935 21.2-135.3-127.9 144.4 27.0 0.9 -38.2 98 98 A K E -C 85 0A 130 -13,-3.0 -13,-1.7 -2,-0.4 2,-0.5 -0.804 25.4-143.9 -87.2 135.5 29.9 2.3 -36.3 99 99 A T E -C 84 0A 26 -2,-0.4 2,-0.5 -76,-0.2 -15,-0.2 -0.899 19.1-179.6-104.9 121.0 32.2 -0.4 -35.0 100 100 A T E -C 83 0A 63 -17,-2.5 -17,-2.9 -2,-0.5 2,-0.3 -0.937 9.6-160.7-125.7 112.5 33.9 0.3 -31.6 101 101 A Q E +C 82 0A 60 -2,-0.5 2,-0.3 -19,-0.2 -19,-0.2 -0.648 22.8 156.0 -89.3 140.1 36.3 -2.4 -30.2 102 102 A A E -C 81 0A 24 -21,-2.5 -21,-3.1 -2,-0.3 2,-0.5 -0.969 43.4-124.9-156.3 167.4 37.0 -2.4 -26.5 103 103 A N E +C 80 0A 92 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.972 53.4 142.3-121.8 109.1 38.2 -4.6 -23.6 104 104 A K E -C 79 0A 81 -25,-2.3 -25,-2.4 -2,-0.5 2,-0.2 -0.957 55.5 -94.4-144.4 158.4 35.6 -4.3 -20.9 105 105 A H - 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