==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 28-MAR-05 1Z7X . COMPND 2 MOLECULE: RIBONUCLEASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.G.MCCOY,R.J.JOHNSON,R.T.RAINES,E.BITTO,C.A.BINGMAN, . 1172 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42694.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 884 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 12.6 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 . 94 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 0 2 1 3 2 6 6 10 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 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 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.0 25.7 61.3 -9.4 2 3 X S > - 0 0 46 1,-0.1 4,-2.8 4,-0.0 5,-0.1 -0.298 360.0-118.5 -64.1 153.7 23.7 59.4 -12.0 3 4 X R H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.751 121.3 60.6 -59.2 -22.2 25.3 56.5 -13.9 4 5 X A H > S+ 0 0 15 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.896 107.0 39.2 -70.7 -43.6 24.5 58.9 -16.7 5 6 X K H > S+ 0 0 117 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.860 114.2 56.4 -71.0 -36.6 26.7 61.7 -15.3 6 7 X K H X S+ 0 0 22 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.869 103.9 53.6 -59.4 -36.7 29.2 59.0 -14.3 7 8 X F H X S+ 0 0 6 -4,-1.7 4,-2.3 109,-0.2 5,-0.5 0.923 109.8 47.8 -63.8 -42.6 29.3 58.0 -18.0 8 9 X Q H X S+ 0 0 64 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.955 113.4 47.4 -63.3 -47.7 30.1 61.5 -18.9 9 10 X R H < S+ 0 0 48 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.898 121.5 34.7 -57.4 -42.1 32.8 61.8 -16.2 10 11 X Q H < S+ 0 0 9 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.747 132.6 22.0 -91.4 -21.9 34.5 58.5 -17.1 11 12 X H H < S+ 0 0 12 -4,-2.3 35,-3.0 -5,-0.2 2,-0.5 0.589 96.3 87.5-128.4 -15.4 34.1 58.4 -20.9 12 13 X M B < +a 46 0A 12 -4,-1.9 35,-0.2 -5,-0.5 3,-0.1 -0.839 25.2 149.2 -99.2 124.3 33.4 61.9 -22.5 13 14 X D > + 0 0 15 33,-2.6 3,-1.0 -2,-0.5 -1,-0.1 -0.462 13.6 159.2-140.4 64.2 36.2 64.2 -23.6 14 15 X S T 3 + 0 0 39 1,-0.2 -1,-0.1 33,-0.2 33,-0.0 0.901 68.8 53.1 -56.4 -43.7 34.6 66.0 -26.5 15 16 X D T 3 S+ 0 0 162 33,-0.1 -1,-0.2 -3,-0.1 2,-0.2 0.571 87.9 95.9 -79.3 -10.0 36.9 69.0 -26.5 16 17 X S S < S- 0 0 41 -3,-1.0 -3,-0.1 1,-0.1 4,-0.1 -0.528 81.5-103.7 -82.0 147.6 40.2 67.2 -26.8 17 18 X S - 0 0 77 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.358 26.0-124.1 -60.6 141.9 42.1 66.5 -30.0 18 19 X P S S+ 0 0 50 0, 0.0 2,-2.1 0, 0.0 83,-0.1 0.840 99.7 77.7 -54.0 -36.5 41.9 62.9 -31.3 19 20 X S S S- 0 0 101 81,-0.1 -2,-0.1 62,-0.0 62,-0.1 -0.438 73.9-169.5 -83.9 65.9 45.7 62.6 -31.3 20 21 X S - 0 0 18 -2,-2.1 2,-0.1 -3,-0.1 78,-0.0 -0.273 17.0-127.2 -54.0 136.6 46.2 62.0 -27.5 21 22 X S > - 0 0 71 1,-0.1 3,-1.8 78,-0.1 4,-0.4 -0.345 31.5 -94.3 -79.9 169.5 49.9 62.3 -26.4 22 23 X S T 3 S+ 0 0 98 1,-0.3 4,-0.3 2,-0.1 76,-0.2 0.668 124.5 49.7 -59.9 -20.2 51.6 59.5 -24.4 23 24 X T T 3> S+ 0 0 56 1,-0.1 4,-1.7 2,-0.1 -1,-0.3 0.402 81.3 96.6-100.0 0.1 50.8 61.3 -21.1 24 25 X Y H <> S+ 0 0 13 -3,-1.8 4,-2.9 1,-0.2 5,-0.3 0.917 83.0 48.7 -55.5 -49.5 47.0 61.9 -21.7 25 26 X a H > S+ 0 0 0 -4,-0.4 4,-2.7 1,-0.2 5,-0.4 0.921 108.0 52.2 -66.3 -39.5 45.8 58.9 -19.8 26 27 X N H > S+ 0 0 53 70,-0.3 4,-0.9 -4,-0.3 -1,-0.2 0.909 116.9 42.1 -60.2 -39.9 47.9 59.5 -16.6 27 28 X Q H X S+ 0 0 71 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.954 120.0 39.6 -64.6 -60.0 46.4 63.1 -16.6 28 29 X M H X S+ 0 0 8 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.823 109.7 57.0 -67.4 -40.0 42.8 62.3 -17.4 29 30 X M H <>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.3 6,-0.3 0.895 114.9 42.5 -60.3 -38.1 42.4 59.1 -15.4 30 31 X R H ><5S+ 0 0 56 -4,-0.9 3,-1.7 -5,-0.4 5,-0.3 0.951 113.8 49.2 -68.7 -51.8 43.5 61.2 -12.4 31 32 X R H 3<5S+ 0 0 101 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.816 110.6 51.5 -59.7 -33.2 41.4 64.3 -13.2 32 33 X R T 3<5S- 0 0 58 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.147 116.0-112.7 -97.4 19.9 38.2 62.2 -13.8 33 34 X N T < 5S+ 0 0 47 -3,-1.7 3,-0.2 1,-0.1 -3,-0.2 0.836 78.2 126.5 61.8 41.9 38.6 60.4 -10.4 34 35 X M < + 0 0 0 -5,-2.5 6,-2.4 -6,-0.1 -4,-0.2 0.106 66.7 59.6-114.0 19.9 39.3 56.9 -11.6 35 36 X T S S+ 0 0 19 -5,-0.3 2,-0.5 -6,-0.3 4,-0.2 0.016 73.6 114.6-132.9 29.0 42.5 56.6 -9.5 36 37 X Q S S- 0 0 53 2,-0.3 2,-1.7 -3,-0.2 55,-0.0 -0.887 94.0 -12.8-105.8 126.3 41.1 57.0 -6.0 37 38 X G S S+ 0 0 9 -2,-0.5 2,-0.3 549,-0.0 -1,-0.1 -0.346 142.0 19.8 81.4 -57.0 41.3 54.0 -3.7 38 39 X R S S- 0 0 35 -2,-1.7 2,-0.6 54,-0.1 -2,-0.3 -0.988 85.1-109.1-140.7 149.4 42.2 51.8 -6.6 39 40 X b - 0 0 15 -2,-0.3 -4,-0.2 -4,-0.2 52,-0.1 -0.655 35.6-123.4 -72.3 116.6 43.6 52.3 -10.1 40 41 X K - 0 0 2 -6,-2.4 45,-0.1 -2,-0.6 3,-0.1 -0.471 21.4-145.1 -60.2 124.6 40.8 51.7 -12.8 41 42 X P S S+ 0 0 26 0, 0.0 44,-2.7 0, 0.0 2,-0.3 0.827 72.2 8.1 -70.4 -34.4 42.4 49.0 -15.0 42 43 X V E + B 0 84A 17 42,-0.2 2,-0.3 54,-0.0 42,-0.2 -0.996 66.1 166.2-149.0 142.1 41.0 50.0 -18.3 43 44 X N E - B 0 83A 2 40,-2.7 40,-3.6 -2,-0.3 2,-0.4 -0.974 20.1-146.3-157.7 148.4 39.0 53.0 -19.6 44 45 X T E - B 0 82A 10 -2,-0.3 2,-0.4 38,-0.2 38,-0.2 -0.964 6.9-159.9-120.3 129.3 38.0 54.6 -22.8 45 46 X F E - B 0 81A 0 36,-2.6 36,-2.6 -2,-0.4 2,-0.5 -0.862 13.0-143.8-102.1 142.1 37.5 58.3 -23.5 46 47 X V E -aB 12 80A 0 -35,-3.0 -33,-2.6 -2,-0.4 2,-0.9 -0.936 4.5-158.7-111.2 123.4 35.4 59.5 -26.5 47 48 X H + 0 0 9 32,-3.2 32,-0.3 -2,-0.5 -33,-0.2 -0.569 58.9 100.0 -97.6 63.3 36.4 62.6 -28.5 48 49 X E S S- 0 0 33 -2,-0.9 -35,-0.2 30,-0.1 -2,-0.1 -0.950 83.8 -78.0-140.4 158.2 33.0 63.4 -30.0 49 50 X P >> - 0 0 66 0, 0.0 4,-1.5 0, 0.0 3,-0.6 -0.270 42.2-120.9 -51.7 140.9 30.1 65.8 -29.3 50 51 X L H 3> S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.893 112.1 55.7 -52.6 -43.6 28.0 64.6 -26.4 51 52 X V H 3> S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.856 104.1 55.1 -61.2 -33.3 24.8 64.5 -28.6 52 53 X D H <> S+ 0 0 64 -3,-0.6 4,-0.9 2,-0.2 -1,-0.2 0.890 110.9 43.3 -64.1 -43.3 26.6 62.2 -31.1 53 54 X V H >< S+ 0 0 1 -4,-1.5 3,-0.6 1,-0.2 4,-0.4 0.902 112.6 54.4 -69.4 -41.1 27.4 59.7 -28.3 54 55 X Q H >< S+ 0 0 53 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.890 101.6 58.4 -58.9 -38.9 23.9 60.1 -26.9 55 56 X N H >< S+ 0 0 69 -4,-2.2 3,-3.7 1,-0.3 -1,-0.2 0.788 84.8 78.5 -62.2 -28.7 22.3 59.3 -30.3 56 57 X V G X< S+ 0 0 0 -4,-0.9 3,-2.5 -3,-0.6 -1,-0.3 0.823 79.6 72.2 -49.4 -31.8 24.0 55.9 -30.4 57 58 X c G < S+ 0 0 2 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.654 100.7 44.6 -57.6 -16.0 21.2 54.9 -28.0 58 59 X F G < S+ 0 0 140 -3,-3.7 -1,-0.3 -4,-0.1 -2,-0.2 0.153 104.2 79.1-114.4 19.7 19.0 55.0 -31.1 59 60 X Q S < S- 0 0 50 -3,-2.5 2,-0.4 1,-0.2 15,-0.1 0.063 96.5 -18.1-106.0-148.4 21.4 53.2 -33.4 60 61 X E E -D 73 0B 112 13,-1.0 13,-2.9 12,-0.1 2,-0.2 -0.444 62.6-139.0 -67.9 118.4 22.1 49.4 -33.8 61 62 X K E +D 72 0B 131 -2,-0.4 2,-0.3 11,-0.2 11,-0.3 -0.527 32.0 167.8 -70.1 135.7 21.0 47.3 -30.8 62 63 X V E -D 71 0B 32 9,-2.5 9,-1.4 7,-0.3 2,-0.3 -0.904 40.0 -86.4-142.6 168.5 23.5 44.6 -29.9 63 64 X T - 0 0 104 -2,-0.3 6,-0.2 7,-0.1 2,-0.1 -0.642 41.5-126.8 -82.6 134.7 24.1 42.2 -26.9 64 65 X d > - 0 0 4 4,-3.0 3,-3.0 -2,-0.3 -1,-0.0 -0.451 27.4-107.4 -71.7 152.7 26.2 43.6 -24.0 65 66 X K T 3 S+ 0 0 88 1,-0.3 -1,-0.1 2,-0.1 470,-0.1 0.857 123.1 54.9 -47.8 -37.4 29.2 41.6 -22.9 66 67 X N T 3 S- 0 0 21 470,-0.1 -1,-0.3 468,-0.1 444,-0.1 0.338 124.1-104.7 -83.4 9.0 27.2 40.6 -19.8 67 68 X G S < S+ 0 0 49 -3,-3.0 -2,-0.1 1,-0.3 -1,-0.1 0.379 74.0 140.9 84.4 -5.2 24.3 39.2 -21.9 68 69 X Q - 0 0 99 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.351 50.3-135.5 -61.1 152.0 21.9 42.2 -21.4 69 70 X G S S+ 0 0 40 -6,-0.2 2,-1.5 1,-0.2 -7,-0.3 0.862 81.4 79.3 -80.8 -36.8 19.9 43.3 -24.5 70 71 X N + 0 0 31 -9,-0.1 39,-1.8 -7,-0.1 2,-0.3 -0.247 59.4 117.7 -85.9 47.3 20.1 47.1 -24.3 71 72 X d E -DE 62 108B 0 -2,-1.5 -9,-2.5 -9,-1.4 2,-0.4 -0.774 45.1-155.4-101.8 159.2 23.5 47.9 -25.8 72 73 X Y E -DE 61 107B 19 35,-2.5 35,-2.1 -2,-0.3 2,-0.4 -0.998 7.4-144.9-138.5 132.6 24.0 49.9 -29.0 73 74 X K E -DE 60 106B 39 -13,-2.9 -13,-1.0 -2,-0.4 33,-0.2 -0.795 32.3-110.1 -94.7 135.8 26.8 50.0 -31.5 74 75 X S - 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