==== 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 3MZQ . 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) . 7172.0 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 . 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 . 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 0 259 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.0 10.4 -19.7 -31.6 2 2 A E - 0 0 76 1,-0.1 2,-0.1 2,-0.1 0, 0.0 -0.490 360.0-116.2 -70.4 136.6 14.1 -19.3 -30.8 3 3 A T > - 0 0 90 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.364 22.5-114.7 -68.6 157.4 15.0 -20.0 -27.1 4 4 A A H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.899 116.8 50.4 -59.9 -42.8 16.2 -17.1 -25.0 5 5 A A H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 111.7 47.8 -62.7 -42.3 19.7 -18.8 -24.7 6 6 A A H > S+ 0 0 30 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.877 109.1 52.6 -66.8 -37.7 19.9 -19.3 -28.4 7 7 A K H X S+ 0 0 98 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.924 108.2 52.1 -62.4 -41.7 18.9 -15.8 -29.2 8 8 A F H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.932 109.7 49.3 -60.8 -43.1 21.6 -14.5 -26.8 9 9 A E H X S+ 0 0 73 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.951 113.4 45.7 -61.4 -48.9 24.2 -16.7 -28.6 10 10 A R H < S+ 0 0 63 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.905 120.4 38.5 -62.4 -44.1 23.1 -15.4 -32.1 11 11 A Q H < S+ 0 0 29 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.793 130.2 22.3 -77.0 -29.2 23.0 -11.7 -31.1 12 12 A H H < S+ 0 0 13 -4,-2.5 35,-2.8 -5,-0.3 2,-0.5 0.527 95.0 87.3-128.5 -4.7 26.0 -11.5 -28.8 13 13 A M B < +a 47 0A 10 -4,-2.0 35,-0.2 -5,-0.3 2,-0.1 -0.879 28.1 158.1-104.3 129.7 28.7 -14.2 -29.3 14 14 A D > + 0 0 5 33,-2.7 3,-0.7 -2,-0.5 36,-0.1 -0.598 8.2 157.4-140.9 81.9 31.5 -14.0 -31.9 15 15 A S T 3 + 0 0 65 1,-0.2 33,-0.1 33,-0.2 35,-0.1 0.275 57.7 82.4 -80.6 -2.2 34.2 -16.4 -30.6 16 16 A S T 3 S+ 0 0 101 33,-0.1 2,-0.3 34,-0.0 -1,-0.2 0.535 92.8 42.7 -88.3 -7.5 35.8 -16.7 -34.1 17 17 A T < - 0 0 51 -3,-0.7 3,-0.1 32,-0.1 -3,-0.1 -0.967 68.8-139.4-138.7 150.1 37.9 -13.5 -33.9 18 18 A S S S- 0 0 105 -2,-0.3 2,-0.3 1,-0.3 30,-0.2 0.706 85.9 -17.1 -75.0 -24.0 40.0 -12.0 -31.2 19 19 A A S S- 0 0 33 28,-0.1 -1,-0.3 61,-0.0 2,-0.2 -0.959 91.0 -61.3-174.2 154.5 38.7 -8.5 -32.0 20 20 A A - 0 0 23 -2,-0.3 81,-0.1 61,-0.2 3,-0.1 -0.425 42.0-155.2 -52.4 125.2 37.0 -6.4 -34.6 21 21 A S - 0 0 96 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.704 63.8 -18.3 -75.3 -33.5 39.2 -6.5 -37.8 22 22 A S S > S- 0 0 52 1,-0.0 3,-1.9 0, 0.0 4,-0.3 -0.982 76.9 -77.9-170.2 172.7 38.0 -3.3 -39.3 23 23 A S T 3 S+ 0 0 89 -2,-0.3 4,-0.3 1,-0.3 3,-0.3 0.690 121.1 59.7 -65.9 -18.4 35.4 -0.5 -39.5 24 24 A N T 3> S+ 0 0 82 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.442 74.5 98.9 -90.8 1.5 33.2 -2.8 -41.6 25 25 A Y H <> S+ 0 0 6 -3,-1.9 4,-2.9 1,-0.2 5,-0.3 0.920 83.6 46.8 -53.7 -50.8 32.9 -5.5 -38.9 26 26 A a H > S+ 0 0 0 -4,-0.3 4,-2.8 -3,-0.3 5,-0.4 0.929 108.1 53.0 -66.4 -40.2 29.6 -4.4 -37.6 27 27 A N H > S+ 0 0 60 70,-0.3 4,-1.2 -4,-0.3 -1,-0.2 0.923 115.7 43.2 -57.1 -43.9 27.9 -4.0 -41.0 28 28 A Q H X S+ 0 0 117 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.932 117.7 42.7 -66.5 -50.0 28.9 -7.5 -41.8 29 29 A M H X S+ 0 0 22 -4,-2.9 4,-2.4 2,-0.2 6,-0.2 0.854 110.6 54.6 -70.1 -39.0 28.0 -9.1 -38.5 30 30 A M H <>S+ 0 0 0 -4,-2.8 5,-2.7 -5,-0.3 6,-0.4 0.902 113.7 43.8 -60.4 -40.9 24.7 -7.3 -38.1 31 31 A K H ><5S+ 0 0 154 -4,-1.2 3,-1.7 -5,-0.4 5,-0.3 0.950 114.9 47.2 -68.9 -49.1 23.6 -8.6 -41.4 32 32 A S H 3<5S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.792 108.4 53.4 -68.0 -29.9 24.9 -12.1 -41.0 33 33 A R T 3<5S- 0 0 63 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.321 117.1-114.1 -85.8 11.4 23.4 -12.6 -37.5 34 34 A N T < 5S+ 0 0 80 -3,-1.7 3,-0.3 -5,-0.1 -3,-0.2 0.854 75.8 133.5 60.8 41.7 20.0 -11.5 -39.0 35 35 A L < + 0 0 10 -5,-2.7 6,-1.9 -6,-0.2 -4,-0.2 0.310 68.8 49.8-102.0 10.1 19.8 -8.3 -37.0 36 36 A T S S+ 0 0 26 -6,-0.4 -1,-0.2 -5,-0.3 59,-0.1 0.076 73.5 116.6-129.5 21.2 18.8 -6.2 -40.0 37 37 A K S S- 0 0 126 -3,-0.3 3,-0.1 1,-0.1 -2,-0.1 0.944 97.1 -6.5 -61.6 -58.7 15.9 -8.2 -41.5 38 38 A D S S+ 0 0 146 1,-0.4 2,-0.3 55,-0.0 -1,-0.1 0.598 140.6 13.7-109.6 -19.4 12.9 -5.9 -41.2 39 39 A R S S- 0 0 147 52,-0.0 2,-0.7 -4,-0.0 -1,-0.4 -0.944 84.1-102.6-151.2 152.6 14.4 -3.1 -39.2 40 40 A b - 0 0 6 -2,-0.3 -4,-0.2 -3,-0.1 52,-0.1 -0.807 36.5-127.5 -79.4 117.6 18.0 -2.1 -38.3 41 41 A K - 0 0 35 -6,-1.9 45,-0.1 -2,-0.7 3,-0.1 -0.533 20.6-145.1 -63.1 126.8 18.7 -3.2 -34.7 42 42 A P S S+ 0 0 61 0, 0.0 44,-2.5 0, 0.0 2,-0.4 0.903 71.9 13.4 -71.4 -39.8 20.0 0.1 -33.3 43 43 A V E + B 0 85A 51 42,-0.2 2,-0.3 54,-0.0 42,-0.2 -0.994 65.0 162.9-139.5 136.2 22.6 -1.2 -30.8 44 44 A N E - B 0 84A 2 40,-2.4 40,-2.1 -2,-0.4 2,-0.4 -0.897 20.2-150.6-157.9 132.6 24.2 -4.6 -30.4 45 45 A T E - B 0 83A 12 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.850 7.3-159.7-106.6 132.0 27.3 -5.9 -28.6 46 46 A F E - B 0 82A 0 36,-2.7 36,-2.6 -2,-0.4 2,-0.5 -0.912 10.9-144.2-106.3 138.1 29.4 -8.9 -29.7 47 47 A V E -aB 13 81A 0 -35,-2.8 -33,-2.7 -2,-0.4 2,-1.1 -0.920 1.1-154.0-104.7 126.9 31.7 -10.7 -27.3 48 48 A H + 0 0 7 32,-3.2 32,-0.5 -2,-0.5 2,-0.3 -0.579 62.1 93.2-101.7 64.1 35.0 -12.2 -28.6 49 49 A E S S- 0 0 55 -2,-1.1 -35,-0.2 30,-0.1 -2,-0.1 -0.926 85.5 -76.0-141.4 170.3 35.5 -14.9 -26.0 50 50 A S > - 0 0 50 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.291 38.9-118.5 -65.9 154.5 34.6 -18.6 -25.9 51 51 A L H > S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.916 116.4 56.1 -56.7 -41.3 30.9 -19.5 -25.3 52 52 A A H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 105.1 50.0 -61.5 -41.0 32.1 -21.3 -22.2 53 53 A D H 4 S+ 0 0 85 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.856 113.6 45.8 -67.4 -35.7 33.8 -18.1 -20.8 54 54 A V H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 4,-0.4 0.924 111.9 50.8 -73.0 -42.1 30.7 -16.1 -21.4 55 55 A Q H >< S+ 0 0 70 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.859 101.6 64.0 -59.1 -35.9 28.4 -18.8 -19.8 56 56 A A G >< S+ 0 0 43 -4,-2.0 3,-1.9 1,-0.3 -1,-0.2 0.728 83.7 76.5 -60.3 -23.1 30.8 -18.8 -16.8 57 57 A V G X S+ 0 0 0 -3,-1.3 3,-2.4 -4,-0.5 -1,-0.3 0.816 78.4 72.9 -58.6 -30.6 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 0.575 100.5 44.5 -66.0 -7.4 26.5 -16.5 -14.7 59 59 A S G < S+ 0 0 107 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.181 104.3 80.3-114.1 17.1 28.4 -17.8 -11.6 60 60 A Q S < S- 0 0 45 -3,-2.4 2,-0.6 1,-0.2 15,-0.2 0.374 96.2 -14.7 -99.6-137.8 30.5 -14.6 -11.2 61 61 A K E -D 74 0B 129 13,-1.7 13,-2.7 1,-0.1 2,-0.4 -0.615 61.1-141.0 -80.7 117.0 29.6 -11.3 -9.5 62 62 A N E +D 73 0B 89 -2,-0.6 2,-0.3 11,-0.2 11,-0.3 -0.588 34.7 163.5 -75.6 124.7 25.9 -10.9 -8.9 63 63 A V E -D 72 0B 37 9,-2.2 9,-0.8 -2,-0.4 2,-0.1 -0.927 42.2 -87.3-137.0 155.5 24.9 -7.2 -9.6 64 64 A A - 0 0 74 -2,-0.3 2,-0.2 7,-0.1 6,-0.2 -0.434 39.1-128.6 -60.4 143.6 21.7 -5.3 -10.3 65 65 A d > - 0 0 8 4,-2.4 3,-2.5 -2,-0.1 -1,-0.1 -0.572 29.2-106.3 -80.1 157.5 20.5 -5.1 -13.9 66 66 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.844 122.6 55.6 -54.2 -33.1 19.6 -1.7 -15.2 67 67 A N T 3 S- 0 0 110 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.367 120.8-106.9 -86.0 5.2 15.9 -2.7 -14.9 68 68 A G S < S+ 0 0 56 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.1 0.300 75.6 133.2 87.9 -5.7 16.2 -3.5 -11.2 69 69 A Q - 0 0 116 1,-0.1 -4,-2.4 -5,-0.1 -1,-0.3 -0.381 53.6-138.6 -72.3 160.3 16.0 -7.3 -11.6 70 70 A T S S+ 0 0 108 -6,-0.2 -1,-0.1 1,-0.2 -6,-0.1 0.015 78.7 91.5-114.6 23.7 18.6 -9.3 -9.6 71 71 A N + 0 0 30 -9,-0.1 39,-2.6 2,-0.0 2,-0.3 -0.017 61.0 115.1-106.7 29.2 19.7 -12.0 -12.1 72 72 A d E -DE 63 109B 0 -9,-0.8 -9,-2.2 37,-0.2 2,-0.4 -0.737 44.5-166.0-103.8 146.6 22.6 -10.0 -13.6 73 73 A Y E -DE 62 108B 35 35,-2.5 35,-2.1 -2,-0.3 2,-0.5 -0.999 10.4-146.8-134.4 139.0 26.2 -11.0 -13.3 74 74 A Q E -DE 61 107B 50 -13,-2.7 -13,-1.7 -2,-0.4 33,-0.2 -0.905 28.0-114.9-108.8 126.8 29.4 -9.0 -14.0 75 75 A S - 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