==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 31-MAY-07 2Q4G . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.J.LEVIN,D.A.KONDRASHOV,G.E.WESENBERG,G.N.PHILLIPS JR.,CENT . 1172 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43493.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 886 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 93 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 325 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 1 0 2 2 1 3 4 5 6 7 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 30 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 PARALLEL BRIDGES PER LADDER . 2 0 4 0 2 0 2 2 1 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 4 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 2 X E 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.2 26.0 61.4 -9.3 2 3 X S > - 0 0 68 1,-0.1 2,-1.8 4,-0.0 4,-1.3 -0.183 360.0 -97.7 -75.3 170.1 23.4 60.3 -11.8 3 4 X R T 4 S+ 0 0 46 1,-0.2 107,-0.2 2,-0.1 -1,-0.1 -0.473 120.4 40.0 -84.7 62.5 23.7 57.4 -14.3 4 5 X A T > S+ 0 0 28 -2,-1.8 4,-1.2 113,-0.1 -1,-0.2 0.172 104.8 57.0-174.4 -38.3 24.7 59.7 -17.1 5 6 X K H > S+ 0 0 122 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 104.3 56.7 -74.8 -40.1 27.1 62.4 -15.7 6 7 X K H X S+ 0 0 38 -4,-1.3 4,-2.6 1,-0.2 5,-0.2 0.782 104.5 54.3 -59.5 -29.0 29.4 59.6 -14.5 7 8 X F H >>S+ 0 0 10 2,-0.2 4,-2.9 109,-0.2 5,-0.5 0.894 108.3 47.8 -71.5 -41.0 29.5 58.4 -18.1 8 9 X Q H X5S+ 0 0 48 -4,-1.2 4,-1.6 3,-0.2 -2,-0.2 0.907 115.8 45.8 -65.1 -40.7 30.6 61.9 -19.2 9 10 X R H <5S+ 0 0 48 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.910 121.9 34.4 -68.5 -45.1 33.2 61.9 -16.5 10 11 X Q H <5S+ 0 0 15 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.841 138.1 15.2 -83.3 -30.8 34.6 58.4 -17.1 11 12 X H H <5S+ 0 0 7 -4,-2.9 35,-2.6 -5,-0.2 2,-0.5 0.504 101.6 90.1-125.4 -3.0 34.2 58.3 -20.9 12 13 X M B << +a 46 0A 10 -4,-1.6 35,-0.1 -5,-0.5 33,-0.1 -0.848 20.5 142.4-107.4 131.1 33.6 61.8 -22.3 13 14 X D > + 0 0 27 33,-1.8 3,-1.5 -2,-0.5 -1,-0.1 -0.406 20.7 168.8-154.4 61.3 36.2 64.3 -23.5 14 15 X S T 3 S+ 0 0 36 1,-0.3 -1,-0.1 33,-0.2 31,-0.0 0.912 71.2 40.2 -41.9 -70.0 34.4 65.9 -26.5 15 16 X D T 3 S+ 0 0 164 33,-0.1 2,-0.4 32,-0.0 -1,-0.3 0.191 87.3 112.4 -75.3 15.5 36.6 68.8 -27.3 16 17 X S S < S- 0 0 35 -3,-1.5 -3,-0.1 30,-0.2 4,-0.1 -0.742 78.6-101.8 -90.5 137.7 40.0 67.1 -26.7 17 18 X S - 0 0 76 -2,-0.4 -1,-0.1 1,-0.1 3,-0.0 -0.130 25.9-127.3 -51.8 152.3 42.1 66.6 -29.8 18 19 X P S S+ 0 0 61 0, 0.0 2,-2.3 0, 0.0 -1,-0.1 0.973 95.3 74.9 -67.9 -54.3 42.0 63.0 -31.2 19 20 X S S S- 0 0 102 81,-0.1 -2,-0.1 62,-0.0 62,-0.1 -0.353 77.8-163.6 -63.8 77.4 45.8 62.4 -31.3 20 21 X S - 0 0 21 -2,-2.3 2,-0.2 -4,-0.1 78,-0.0 -0.203 7.5-133.8 -61.7 154.4 46.3 62.0 -27.5 21 22 X S >> - 0 0 66 78,-0.1 3,-1.0 1,-0.0 4,-0.5 -0.558 31.8 -91.1-104.8 173.0 49.8 62.3 -26.1 22 23 X S T 34 S+ 0 0 100 1,-0.2 4,-0.2 -2,-0.2 74,-0.1 0.362 124.5 52.3 -67.7 7.0 51.6 60.1 -23.6 23 24 X T T 3> S+ 0 0 51 2,-0.1 4,-3.4 3,-0.1 5,-0.3 0.640 85.8 86.3-111.0 -26.3 50.4 62.2 -20.6 24 25 X Y H <> S+ 0 0 11 -3,-1.0 4,-4.6 1,-0.2 5,-0.4 0.915 93.9 37.0 -39.6 -73.5 46.7 62.1 -21.5 25 26 X a H X S+ 0 0 0 -4,-0.5 4,-2.7 1,-0.3 5,-0.4 0.925 119.0 48.2 -53.5 -48.7 45.7 58.9 -19.8 26 27 X N H > S+ 0 0 57 70,-0.3 4,-0.5 -4,-0.2 -1,-0.3 0.903 122.4 39.1 -58.0 -35.9 47.9 59.4 -16.8 27 28 X Q H X S+ 0 0 61 -4,-3.4 4,-2.6 -3,-0.2 3,-0.2 0.956 120.4 40.4 -75.3 -57.6 46.5 62.9 -16.7 28 29 X M H X S+ 0 0 14 -4,-4.6 4,-2.7 -5,-0.3 -3,-0.2 0.849 110.4 56.2 -64.6 -40.3 42.8 62.3 -17.5 29 30 X M H <>S+ 0 0 0 -4,-2.7 5,-2.2 -5,-0.4 6,-0.4 0.837 113.3 45.5 -62.5 -29.0 42.4 59.1 -15.5 30 31 X R H ><5S+ 0 0 60 -4,-0.5 3,-1.5 -5,-0.4 5,-0.3 0.954 113.8 45.7 -76.4 -52.7 43.6 61.2 -12.5 31 32 X R H 3<5S+ 0 0 102 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.816 110.8 54.2 -60.6 -33.5 41.4 64.3 -13.2 32 33 X R T 3<5S- 0 0 54 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 0.194 113.9-115.1 -90.9 18.7 38.3 62.2 -13.8 33 34 X N T < 5S+ 0 0 48 -3,-1.5 3,-0.3 1,-0.1 -3,-0.2 0.835 75.4 128.8 55.3 44.8 38.7 60.4 -10.5 34 35 X M < + 0 0 0 -5,-2.2 6,-2.8 1,-0.2 -4,-0.2 0.293 67.3 58.2-107.8 7.3 39.3 56.9 -11.7 35 36 X T S S+ 0 0 28 -6,-0.4 2,-0.5 -5,-0.3 4,-0.2 -0.086 73.0 123.3-126.0 35.7 42.4 56.4 -9.5 36 37 X Q S S- 0 0 68 2,-0.3 2,-2.3 -3,-0.3 55,-0.0 -0.860 92.1 -18.5-100.4 124.0 40.9 57.0 -6.1 37 38 X G S S+ 0 0 8 -2,-0.5 2,-0.3 549,-0.0 -1,-0.1 -0.278 143.8 25.6 79.2 -55.0 41.3 54.1 -3.6 38 39 X R S S- 0 0 33 -2,-2.3 2,-0.5 54,-0.1 -2,-0.3 -0.992 88.4-108.6-141.7 146.1 42.1 51.8 -6.6 39 40 X b - 0 0 18 -2,-0.3 -4,-0.2 -4,-0.2 52,-0.1 -0.628 33.9-124.2 -74.5 117.9 43.4 52.3 -10.1 40 41 X K - 0 0 1 -6,-2.8 3,-0.1 -2,-0.5 -6,-0.1 -0.529 24.4-145.1 -64.9 113.9 40.7 51.9 -12.7 41 42 X P S S+ 0 0 29 0, 0.0 44,-1.8 0, 0.0 2,-0.3 0.817 71.6 7.2 -50.3 -47.4 42.3 49.1 -14.8 42 43 X V E + B 0 84A 30 42,-0.2 2,-0.3 54,-0.1 42,-0.2 -0.998 66.8 167.3-144.2 142.2 41.0 50.1 -18.2 43 44 X N E - B 0 83A 1 40,-1.5 40,-2.2 -2,-0.3 2,-0.4 -0.990 18.4-149.3-154.2 146.0 39.1 53.1 -19.5 44 45 X T E - B 0 82A 13 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.967 5.9-157.8-122.6 133.3 38.1 54.6 -22.8 45 46 X F E - B 0 81A 0 36,-2.2 36,-2.1 -2,-0.4 2,-0.5 -0.852 13.3-141.1-106.0 144.2 37.5 58.3 -23.6 46 47 X V E -aB 12 80A 0 -35,-2.6 -33,-1.8 -2,-0.4 2,-1.2 -0.917 2.6-153.3-109.3 126.1 35.4 59.4 -26.6 47 48 X H + 0 0 9 32,-3.5 32,-0.4 -2,-0.5 -33,-0.2 -0.570 62.7 95.2 -96.3 69.7 36.4 62.5 -28.7 48 49 X E S S- 0 0 33 -2,-1.2 -35,-0.2 30,-0.1 -34,-0.1 -0.978 83.0 -83.0-152.4 158.4 32.9 63.3 -29.9 49 50 X P >> - 0 0 58 0, 0.0 4,-1.7 0, 0.0 3,-1.2 -0.366 40.2-119.7 -63.5 141.3 30.0 65.7 -29.0 50 51 X L H 3> S+ 0 0 50 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.890 115.5 58.2 -49.6 -42.8 27.7 64.3 -26.3 51 52 X V H 3> S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.862 104.2 52.5 -57.7 -34.6 24.8 64.5 -28.8 52 53 X D H <> S+ 0 0 63 -3,-1.2 4,-0.7 2,-0.2 -1,-0.2 0.905 113.1 42.0 -68.0 -42.0 26.8 62.2 -31.1 53 54 X V H < S+ 0 0 0 -4,-1.7 3,-0.4 1,-0.2 4,-0.4 0.832 111.9 57.6 -74.3 -29.6 27.4 59.6 -28.3 54 55 X Q H >< S+ 0 0 65 -4,-2.9 3,-1.1 -5,-0.3 -2,-0.2 0.842 98.6 58.9 -69.3 -32.6 23.8 60.0 -27.2 55 56 X N H >< S+ 0 0 74 -4,-1.7 3,-2.9 1,-0.3 4,-0.4 0.767 86.9 74.4 -69.1 -24.4 22.4 59.1 -30.6 56 57 X V G >< S+ 0 0 0 -4,-0.7 3,-1.4 -3,-0.4 -1,-0.3 0.838 83.0 70.8 -57.5 -26.8 24.0 55.7 -30.5 57 58 X c G < S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.667 108.6 34.2 -62.1 -15.9 21.3 54.9 -28.0 58 59 X F G < S+ 0 0 139 -3,-2.9 -1,-0.3 -4,-0.1 -2,-0.2 0.270 108.2 83.6-119.2 4.5 18.9 55.0 -31.0 59 60 X Q S < S- 0 0 49 -3,-1.4 15,-0.1 -4,-0.4 2,-0.1 0.134 97.9 -16.9 -88.4-150.3 21.4 53.6 -33.5 60 61 X E E -D 73 0B 109 13,-0.7 13,-2.9 12,-0.1 -1,-0.2 -0.302 66.8-135.3 -62.0 125.9 22.1 49.9 -34.0 61 62 X K E +D 72 0B 138 11,-0.2 11,-0.3 -3,-0.1 2,-0.3 -0.527 34.6 162.5 -76.4 142.8 20.9 47.7 -31.2 62 63 X V E -D 71 0B 31 9,-2.9 9,-2.6 -2,-0.2 8,-0.3 -0.945 39.5 -90.5-152.2 171.1 23.3 44.9 -30.0 63 64 X T - 0 0 96 -2,-0.3 6,-0.2 7,-0.2 2,-0.1 -0.689 38.4-122.9 -92.3 142.6 23.9 42.6 -27.1 64 65 X d > - 0 0 6 4,-1.8 3,-1.1 -2,-0.3 7,-0.1 -0.420 26.7-108.7 -78.4 157.3 26.1 43.7 -24.2 65 66 X K T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 470,-0.1 0.906 119.0 55.5 -51.0 -46.7 29.2 41.6 -23.1 66 67 X N T 3 S- 0 0 31 1,-0.1 -1,-0.3 468,-0.1 469,-0.1 0.789 120.5-107.0 -60.6 -28.7 27.4 40.5 -19.9 67 68 X G < + 0 0 46 -3,-1.1 2,-0.2 1,-0.3 -2,-0.1 0.445 68.9 143.0 115.7 -0.3 24.5 39.1 -22.0 68 69 X Q - 0 0 93 496,-0.1 -4,-1.8 1,-0.1 2,-1.5 -0.535 54.9-122.5 -73.6 139.9 21.7 41.6 -21.2 69 70 X G S S+ 0 0 61 -2,-0.2 -6,-0.1 1,-0.2 -1,-0.1 -0.587 87.0 69.8 -86.9 79.8 19.5 42.4 -24.2 70 71 X N + 0 0 29 -2,-1.5 39,-0.9 -8,-0.3 2,-0.2 0.162 56.3 122.3 177.2 47.1 19.9 46.2 -24.6 71 72 X d E -DE 62 108B 0 -9,-2.6 -9,-2.9 -3,-0.2 2,-0.3 -0.627 40.9-143.0-109.9 175.5 23.2 47.5 -25.9 72 73 X Y E -DE 61 107B 18 35,-2.3 35,-1.8 -11,-0.3 2,-0.4 -1.000 5.4-151.4-144.6 143.8 24.0 49.7 -28.9 73 74 X K E -DE 60 106B 42 -13,-2.9 -13,-0.7 -2,-0.3 33,-0.2 -0.938 29.7-118.3-113.3 134.0 26.8 50.0 -31.5 74 75 X S - 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