==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAR-04 1VCZ . COMPND 2 MOLECULE: RNASE NGR3; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA GLUTINOSA; . AUTHOR S.KAWANO,Y.KAKUTA,M.KIMURA . 204 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 1 0 0 2 0 0 1 0 1 0 0 1 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 1 1 0 0 1 2 0 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 . 1 0 0 0 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 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 A 0 0 148 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -93.8 -29.7 19.3 -36.1 2 2 A Q - 0 0 84 1,-0.1 176,-0.0 3,-0.0 100,-0.0 -0.225 360.0-143.8 -52.8 122.9 -30.9 20.3 -39.6 3 3 A D S S+ 0 0 117 97,-0.1 2,-0.3 42,-0.0 -1,-0.1 0.537 74.5 26.4 -66.0 -12.4 -28.3 22.3 -41.5 4 4 A F - 0 0 1 1,-0.1 41,-0.2 97,-0.1 3,-0.1 -0.922 64.3-129.8-147.8 176.6 -30.8 24.6 -43.2 5 5 A D S S- 0 0 64 39,-2.1 173,-0.6 1,-0.3 2,-0.3 0.844 73.8 -30.4 -99.2 -39.4 -34.2 26.3 -43.1 6 6 A F E -AB 44 177A 1 38,-1.6 38,-2.7 171,-0.2 2,-0.4 -0.950 57.7-104.0-166.0 174.3 -36.0 25.7 -46.3 7 7 A F E -AB 43 176A 0 169,-2.8 169,-2.2 -2,-0.3 2,-0.5 -0.917 14.2-141.8-112.6 145.1 -35.5 25.2 -50.1 8 8 A Y E -AB 42 175A 14 34,-2.2 34,-3.1 -2,-0.4 2,-0.7 -0.897 18.7-155.2 -95.2 130.8 -36.1 27.6 -52.9 9 9 A F E -AB 41 174A 0 165,-3.7 165,-2.0 -2,-0.5 2,-0.5 -0.959 16.6-164.1-108.3 112.5 -37.5 25.5 -55.7 10 10 A V E -AB 40 173A 0 30,-2.9 29,-3.0 -2,-0.7 30,-1.7 -0.874 12.7-178.2-108.3 127.0 -36.6 27.4 -58.9 11 11 A Q E -AB 38 172A 1 161,-2.4 161,-2.7 -2,-0.5 2,-0.3 -0.886 11.4-150.9-118.3 151.0 -38.2 26.9 -62.4 12 12 A Q E -AB 37 171A 8 25,-2.9 25,-2.5 -2,-0.3 159,-0.2 -0.881 17.3-129.2-121.7 154.1 -37.3 28.7 -65.6 13 13 A W >> - 0 0 2 157,-2.5 3,-1.7 -2,-0.3 4,-0.6 -0.908 22.8-151.9-100.2 104.3 -39.3 29.6 -68.7 14 14 A P H >> S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 4,-1.5 0.863 90.4 59.6 -43.9 -48.6 -37.1 28.2 -71.5 15 15 A A H 34 S+ 0 0 4 1,-0.3 4,-0.2 2,-0.2 155,-0.1 0.806 103.2 52.9 -56.9 -29.9 -38.3 30.7 -74.1 16 16 A S H <4 S+ 0 0 0 -3,-1.7 -1,-0.3 1,-0.2 3,-0.1 0.608 106.4 52.0 -81.4 -12.4 -37.1 33.6 -71.9 17 17 A Y H << S+ 0 0 61 -3,-1.9 3,-0.4 -4,-0.6 -2,-0.2 0.731 112.6 48.4 -88.9 -24.1 -33.6 32.1 -71.6 18 18 A a S < S+ 0 0 37 -4,-1.5 -2,-0.2 1,-0.2 6,-0.1 0.245 101.0 58.3-102.2 12.8 -33.4 31.8 -75.4 19 19 A D S S+ 0 0 39 -4,-0.2 144,-2.0 -3,-0.1 145,-0.2 0.054 89.5 91.3-127.5 25.0 -34.5 35.3 -76.7 20 20 A T S S- 0 0 30 -3,-0.4 143,-0.1 142,-0.2 142,-0.1 -0.300 94.6 -88.5-106.9-168.7 -31.9 37.4 -74.9 21 21 A R S S+ 0 0 243 140,-0.3 2,-0.1 -2,-0.1 141,-0.1 0.565 101.3 85.4 -80.7 -8.9 -28.5 38.7 -75.8 22 22 A R S S- 0 0 192 -5,-0.1 2,-0.3 1,-0.1 -2,-0.2 -0.410 88.1 -95.5 -90.3 168.9 -26.9 35.5 -74.4 23 23 A S - 0 0 89 -2,-0.1 2,-0.4 58,-0.1 58,-0.3 -0.656 36.8-176.1 -86.3 135.8 -26.3 32.2 -76.1 24 24 A a - 0 0 36 -2,-0.3 2,-0.4 -6,-0.1 56,-0.2 -0.997 3.1-170.5-132.5 135.9 -28.8 29.4 -75.8 25 25 A b - 0 0 37 54,-2.9 59,-0.3 -2,-0.4 -2,-0.0 -0.996 25.1-120.5-128.3 127.0 -28.3 25.9 -77.2 26 26 A Y - 0 0 91 -2,-0.4 5,-0.2 57,-0.1 53,-0.1 -0.292 40.8 -96.6 -63.5 151.3 -31.1 23.2 -77.4 27 27 A P > - 0 0 9 0, 0.0 3,-2.7 0, 0.0 58,-0.2 -0.116 36.1 -98.4 -63.8 165.1 -30.3 19.9 -75.5 28 28 A T T 3 S+ 0 0 84 56,-1.9 57,-0.1 1,-0.3 3,-0.1 0.718 126.2 60.4 -56.1 -20.8 -29.0 16.8 -77.2 29 29 A T T 3 S- 0 0 70 55,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.398 115.0-112.1 -89.7 1.5 -32.6 15.7 -77.2 30 30 A G < - 0 0 31 -3,-2.7 -1,-0.3 -4,-0.0 -2,-0.0 -0.407 65.5 -4.1 100.4-177.1 -33.8 18.6 -79.3 31 31 A K S S- 0 0 125 -5,-0.2 3,-0.1 -2,-0.1 -5,-0.0 -0.288 79.1-118.3 -54.8 123.2 -36.0 21.7 -78.7 32 32 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 -0.120 33.7 -88.5 -60.3 160.8 -37.4 21.6 -75.1 33 33 A D - 0 0 78 41,-0.4 2,-1.9 1,-0.1 4,-0.0 -0.350 41.3-109.6 -66.6 153.8 -41.1 21.4 -74.4 34 34 A E S S+ 0 0 84 -3,-0.1 2,-0.3 -20,-0.1 -1,-0.1 -0.621 87.0 97.9 -86.1 79.0 -42.8 24.8 -74.2 35 35 A D S S- 0 0 41 -2,-1.9 2,-0.2 -23,-0.1 -20,-0.1 -0.960 86.0 -77.1-157.6 163.2 -43.3 24.4 -70.5 36 36 A F - 0 0 4 -2,-0.3 2,-0.3 -23,-0.1 -23,-0.2 -0.492 50.5-164.2 -70.2 138.8 -41.6 25.5 -67.3 37 37 A S E -A 12 0A 3 -25,-2.5 -25,-2.9 -2,-0.2 2,-0.3 -0.817 24.7 -89.3-122.2 163.7 -38.5 23.4 -66.5 38 38 A I E +A 11 0A 0 37,-3.2 -27,-0.2 -2,-0.3 3,-0.1 -0.501 35.3 169.6 -75.8 133.3 -36.4 23.0 -63.4 39 39 A H E - 0 0 41 -29,-3.0 2,-0.3 1,-0.3 -28,-0.2 0.774 64.2 -37.9-100.7 -57.8 -33.5 25.2 -62.7 40 40 A G E -A 10 0A 0 -30,-1.7 -30,-2.9 72,-0.1 2,-0.5 -0.996 29.6-132.8-164.8 167.3 -32.8 24.1 -59.1 41 41 A L E -A 9 0A 0 -2,-0.3 -32,-0.2 -32,-0.2 71,-0.1 -0.958 41.5-168.2-125.1 104.6 -33.8 22.9 -55.6 42 42 A W E -A 8 0A 44 -34,-3.1 -34,-2.2 -2,-0.5 -36,-0.1 -0.865 21.4-138.5-112.8 113.7 -31.7 25.0 -53.3 43 43 A P E +A 7 0A 0 0, 0.0 2,-0.3 0, 0.0 -36,-0.2 -0.372 38.2 176.9 -60.0 140.3 -31.2 24.6 -49.5 44 44 A N E -A 6 0A 6 -38,-2.7 -39,-2.1 6,-0.2 -38,-1.6 -0.950 28.8-126.5-146.3 160.8 -31.3 28.1 -48.0 45 45 A Y > - 0 0 67 4,-2.4 3,-1.9 -2,-0.3 -41,-0.1 -0.821 26.6-122.2-107.0 152.5 -31.2 30.0 -44.6 46 46 A E T 3 S+ 0 0 113 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.678 110.2 67.1 -67.3 -14.0 -33.9 32.4 -43.4 47 47 A N T 3 S- 0 0 108 2,-0.1 -1,-0.3 141,-0.1 3,-0.1 0.455 119.1-106.9 -86.1 2.3 -31.1 35.0 -43.2 48 48 A G S < S+ 0 0 30 -3,-1.9 2,-0.1 1,-0.4 -2,-0.1 0.314 89.8 101.9 94.9 -13.2 -30.7 35.0 -46.9 49 49 A K - 0 0 145 -5,-0.0 -4,-2.4 0, 0.0 -1,-0.4 -0.398 53.6-162.6 -93.0 177.5 -27.4 33.2 -47.0 50 50 A W - 0 0 123 -6,-0.2 2,-0.2 -2,-0.1 -6,-0.2 -0.989 21.4-106.4-159.7 157.9 -27.2 29.5 -48.0 51 51 A P + 0 0 15 0, 0.0 2,-0.3 0, 0.0 49,-0.1 -0.587 40.2 175.1 -86.2 151.6 -24.9 26.4 -47.8 52 52 A Q + 0 0 82 -2,-0.2 45,-0.2 1,-0.1 44,-0.2 -0.979 53.9 19.0-155.5 150.5 -23.2 25.3 -51.0 53 53 A N + 0 0 39 43,-2.1 3,-0.5 -2,-0.3 43,-0.2 0.927 66.5 166.5 54.9 52.9 -20.7 22.6 -52.0 54 54 A c + 0 0 65 41,-0.4 2,-0.2 42,-0.3 42,-0.1 0.751 69.7 25.1 -72.3 -26.3 -21.3 20.6 -48.9 55 55 A D > + 0 0 74 40,-0.5 3,-2.4 3,-0.1 -1,-0.3 -0.679 62.1 177.5-140.6 82.5 -19.5 17.4 -50.0 56 56 A R T 3 S+ 0 0 188 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.618 82.3 63.0 -61.2 -11.4 -16.9 18.2 -52.6 57 57 A E T 3 S+ 0 0 183 1,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.611 84.3 90.8 -88.7 -11.2 -16.0 14.5 -52.6 58 58 A S < - 0 0 22 -3,-2.4 2,-0.2 37,-0.1 -3,-0.1 -0.759 56.8-175.3 -93.3 111.7 -19.5 13.5 -53.8 59 59 A S - 0 0 83 -2,-0.8 2,-0.5 1,-0.1 -2,-0.0 -0.586 37.2 -90.0 -97.7 161.6 -19.9 13.2 -57.5 60 60 A L - 0 0 22 -2,-0.2 2,-0.8 27,-0.1 31,-0.1 -0.606 34.4-156.4 -76.7 120.8 -23.1 12.5 -59.4 61 61 A D > - 0 0 60 -2,-0.5 3,-1.2 1,-0.1 4,-0.4 -0.847 3.5-165.7-102.2 104.8 -23.7 8.8 -59.9 62 62 A E G > S+ 0 0 90 -2,-0.8 3,-0.9 1,-0.3 7,-0.2 0.703 81.6 69.0 -60.2 -26.6 -26.0 8.3 -62.9 63 63 A S G > S+ 0 0 77 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.869 92.7 61.6 -63.2 -32.7 -26.8 4.7 -62.2 64 64 A E G < S+ 0 0 82 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.773 118.6 26.3 -64.4 -25.2 -28.7 5.9 -59.1 65 65 A I G X> S+ 0 0 5 -3,-0.9 3,-2.1 -4,-0.4 4,-1.1 0.060 81.7 128.4-125.1 26.8 -31.1 7.9 -61.4 66 66 A S G X4 S+ 0 0 68 -3,-1.1 3,-1.0 1,-0.3 4,-0.4 0.882 75.9 48.3 -47.4 -52.4 -30.9 5.8 -64.6 67 67 A D G 34 S+ 0 0 101 -4,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.485 110.9 53.5 -70.3 -5.0 -34.6 5.4 -65.0 68 68 A L G <> S+ 0 0 13 -3,-2.1 4,-2.8 2,-0.1 3,-0.4 0.579 83.7 87.5-104.0 -15.5 -35.1 9.1 -64.4 69 69 A I H S+ 0 0 78 -4,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.891 114.2 46.2 -64.7 -33.2 -35.2 10.5 -69.9 71 71 A T H >> S+ 0 0 51 -3,-0.4 4,-2.2 1,-0.2 3,-0.5 0.902 112.2 50.3 -73.5 -39.4 -37.6 12.5 -67.8 72 72 A M H 3X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.832 101.4 62.2 -68.2 -30.5 -34.9 14.8 -66.5 73 73 A E H 3< S+ 0 0 46 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.849 115.3 34.4 -62.9 -29.1 -33.8 15.5 -70.1 74 74 A K H << S+ 0 0 131 -4,-0.8 -41,-0.4 -3,-0.5 -2,-0.2 0.752 128.2 34.5 -95.6 -27.0 -37.2 16.9 -70.7 75 75 A N H < S+ 0 0 20 -4,-2.2 -37,-3.2 1,-0.2 -3,-0.2 0.578 129.7 29.9-104.7 -10.8 -38.0 18.5 -67.3 76 76 A W S < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.319 81.3 161.7-141.9 50.1 -34.5 19.7 -66.3 77 77 A P - 0 0 2 0, 0.0 2,-0.5 0, 0.0 8,-0.1 -0.298 37.3-127.5 -72.8 156.9 -32.7 20.4 -69.6 78 78 A S - 0 0 14 6,-0.3 6,-0.4 1,-0.1 9,-0.1 -0.914 19.4-173.6-101.9 133.6 -29.6 22.6 -69.8 79 79 A L + 0 0 3 -2,-0.5 -54,-2.9 4,-0.1 -1,-0.1 0.313 48.0 112.3-108.1 4.7 -30.0 25.4 -72.4 80 80 A A S S- 0 0 37 -56,-0.2 4,-0.2 2,-0.1 -56,-0.1 -0.280 70.7 -70.0 -74.1 163.9 -26.4 26.6 -72.1 81 81 A b S S+ 0 0 57 -58,-0.3 2,-0.2 2,-0.1 -58,-0.1 -0.850 107.1 45.0-105.7 144.5 -23.9 26.3 -75.0 82 82 A P S S- 0 0 103 0, 0.0 -57,-0.1 0, 0.0 -2,-0.1 0.551 100.4-105.0 -76.2 168.8 -22.6 24.1 -76.2 83 83 A S + 0 0 60 -2,-0.2 2,-0.3 -56,-0.1 -57,-0.1 -0.295 50.5 174.6 -56.8 135.6 -25.5 21.7 -76.5 84 84 A S - 0 0 28 -6,-0.4 -56,-1.9 -59,-0.3 -55,-0.3 -0.880 46.7-110.3-141.2 172.0 -25.4 18.9 -73.8 85 85 A D - 0 0 71 -2,-0.3 -2,-0.1 -58,-0.2 -1,-0.0 0.462 60.8-109.9 -83.1 0.2 -27.3 16.0 -72.4 86 86 A G S > S+ 0 0 0 -9,-0.1 4,-2.9 -8,-0.0 3,-0.3 0.087 90.7 113.3 94.4 -20.7 -27.9 17.9 -69.2 87 87 A V H > S+ 0 0 25 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.827 76.1 50.3 -54.8 -38.7 -25.6 15.7 -67.1 88 88 A R H > S+ 0 0 202 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.907 112.1 48.8 -65.9 -41.6 -23.1 18.4 -66.5 89 89 A F H > S+ 0 0 32 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.939 114.8 45.0 -64.0 -45.9 -25.9 20.7 -65.4 90 90 A W H X S+ 0 0 6 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.869 112.2 51.0 -66.8 -37.2 -27.3 18.0 -63.1 91 91 A S H X S+ 0 0 33 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.926 111.2 48.7 -65.6 -42.9 -23.9 17.1 -61.7 92 92 A H H X S+ 0 0 92 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.928 112.6 47.2 -62.1 -45.9 -23.2 20.8 -60.9 93 93 A E H X>S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 5,-2.2 0.899 113.1 50.1 -63.2 -41.2 -26.6 21.2 -59.2 94 94 A W H <>S+ 0 0 12 -4,-2.4 5,-2.5 3,-0.2 6,-0.3 0.968 115.5 41.3 -60.8 -52.8 -26.1 18.0 -57.2 95 95 A L H <5S+ 0 0 45 -4,-2.9 -40,-0.5 3,-0.2 -41,-0.4 0.933 121.9 39.3 -62.2 -46.2 -22.6 19.0 -56.0 96 96 A K H <5S+ 0 0 57 -4,-2.7 -43,-2.1 -5,-0.2 -42,-0.3 0.890 140.2 2.6 -72.3 -43.4 -23.4 22.6 -55.3 97 97 A H T ><5S+ 0 0 9 -4,-2.4 3,-1.6 -5,-0.3 4,-0.3 0.767 122.1 61.0-114.8 -44.9 -26.8 22.3 -53.8 98 98 A G G > XS+ 0 0 1 -5,-2.2 3,-1.9 1,-0.3 5,-0.5 0.882 99.8 57.7 -56.3 -42.2 -27.9 18.6 -53.5 99 99 A T G 3 - 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