==== 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 1VD1 . COMPND 2 MOLECULE: RNASE NGR3; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA GLUTINOSA; . AUTHOR S.KAWANO,Y.KAKUTA,M.KIMURA . 203 1 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9960.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 58.1 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 16.3 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 . 10 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 21.2 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 1 1 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 2 A Q 0 0 210 0, 0.0 98,-0.1 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0 121.8 -25.6 21.0 -41.4 2 3 A D - 0 0 95 97,-0.1 2,-0.3 175,-0.1 99,-0.1 0.396 360.0-167.1 72.9 147.2 -29.4 21.7 -41.3 3 4 A F - 0 0 8 1,-0.1 41,-0.2 97,-0.1 3,-0.1 -0.866 26.8-111.5-152.5-175.9 -31.2 24.7 -42.9 4 5 A D S S- 0 0 61 39,-2.0 173,-0.6 1,-0.3 2,-0.3 0.872 75.9 -30.5 -97.6 -42.7 -34.6 26.4 -42.8 5 6 A F E -AB 43 176A 0 38,-1.7 38,-2.6 171,-0.2 2,-0.4 -0.951 56.8-102.3-164.1 175.8 -36.3 25.8 -46.1 6 7 A F E -AB 42 175A 0 169,-3.0 169,-2.1 -2,-0.3 2,-0.6 -0.901 14.4-144.6-113.1 142.9 -35.9 25.3 -49.9 7 8 A Y E -AB 41 174A 12 34,-2.2 34,-3.0 -2,-0.4 2,-0.7 -0.925 18.0-155.8 -98.0 126.5 -36.3 27.7 -52.7 8 9 A F E -AB 40 173A 0 165,-4.0 165,-2.0 -2,-0.6 2,-0.5 -0.951 15.7-163.1-104.0 113.5 -37.7 25.6 -55.6 9 10 A V E -AB 39 172A 0 30,-3.0 29,-3.0 -2,-0.7 30,-1.7 -0.889 12.8-179.7-109.4 122.1 -36.7 27.6 -58.7 10 11 A Q E -AB 37 171A 0 161,-2.4 161,-2.3 -2,-0.5 2,-0.3 -0.778 11.1-152.5-111.7 160.7 -38.2 27.1 -62.1 11 12 A Q E -AB 36 170A 17 25,-2.6 25,-2.8 -2,-0.3 159,-0.2 -0.912 19.5-126.3-134.2 156.6 -37.4 28.9 -65.3 12 13 A W >> - 0 0 0 157,-2.4 3,-1.5 -2,-0.3 4,-0.6 -0.911 23.1-152.9-101.8 106.1 -39.1 29.8 -68.5 13 14 A P H >> S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-1.3 0.861 90.9 60.1 -46.5 -44.2 -36.7 28.4 -71.2 14 15 A A H 34 S+ 0 0 3 1,-0.3 4,-0.3 187,-0.2 155,-0.1 0.821 101.7 53.9 -56.6 -33.0 -37.8 31.0 -73.8 15 16 A S H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 1,-0.2 152,-0.1 0.584 106.6 50.8 -79.9 -10.5 -36.6 33.8 -71.5 16 17 A Y H << S+ 0 0 58 -3,-1.7 3,-0.4 -4,-0.6 -1,-0.2 0.665 112.6 48.8 -94.1 -22.0 -33.1 32.3 -71.2 17 18 A a S < S+ 0 0 35 -4,-1.3 -2,-0.2 1,-0.2 6,-0.2 0.343 101.5 59.1-101.2 6.7 -32.9 32.0 -75.0 18 19 A D S S+ 0 0 36 -4,-0.3 144,-2.4 4,-0.1 145,-0.3 0.081 89.3 85.2-122.2 25.1 -34.0 35.5 -76.1 19 20 A T S S- 0 0 16 -3,-0.4 142,-0.1 142,-0.3 4,-0.1 -0.400 98.3 -88.7-110.1-171.7 -31.3 37.5 -74.3 20 21 A R S S+ 0 0 230 -2,-0.1 2,-0.1 2,-0.1 141,-0.1 0.513 98.7 99.7 -79.8 -3.2 -27.7 38.5 -75.3 21 22 A R S S- 0 0 163 -5,-0.1 2,-0.4 1,-0.1 -2,-0.2 -0.441 85.0-107.0 -78.3 156.7 -26.5 35.2 -73.6 22 23 A S - 0 0 89 -2,-0.1 2,-0.4 58,-0.1 58,-0.3 -0.718 36.3-167.6 -86.4 134.3 -25.8 32.2 -75.8 23 24 A a - 0 0 36 -2,-0.4 2,-0.4 -6,-0.2 56,-0.2 -0.990 5.7-173.5-127.4 127.8 -28.4 29.5 -75.6 24 25 A b - 0 0 32 54,-3.0 59,-0.2 -2,-0.4 3,-0.1 -0.981 25.2-122.7-123.4 129.1 -27.9 26.0 -77.0 25 26 A Y - 0 0 93 -2,-0.4 5,-0.2 1,-0.1 53,-0.1 -0.376 41.2 -95.5 -66.7 146.0 -30.6 23.3 -77.0 26 27 A P > - 0 0 8 0, 0.0 3,-2.6 0, 0.0 58,-0.2 -0.131 36.0-102.9 -58.5 158.4 -29.7 20.1 -75.2 27 28 A T T 3 S+ 0 0 94 56,-2.0 57,-0.1 1,-0.3 3,-0.1 0.600 121.8 66.5 -59.9 -7.9 -28.3 17.1 -77.2 28 29 A T T 3 S- 0 0 43 1,-0.4 -1,-0.3 55,-0.4 2,-0.1 0.349 114.8-104.1 -94.9 4.9 -31.9 15.7 -76.9 29 30 A G < - 0 0 34 -3,-2.6 -1,-0.4 -4,-0.1 0, 0.0 -0.397 66.0 -14.1 102.6 178.5 -33.4 18.4 -79.0 30 31 A K S S- 0 0 117 -5,-0.2 3,-0.1 -2,-0.1 -5,-0.0 -0.321 75.9-116.9 -57.2 130.6 -35.5 21.6 -78.4 31 32 A P - 0 0 7 0, 0.0 42,-0.1 0, 0.0 -1,-0.1 -0.171 38.2 -82.7 -66.0 162.8 -36.9 21.6 -74.9 32 33 A D - 0 0 80 41,-0.5 2,-2.2 1,-0.1 4,-0.0 -0.324 40.2-112.5 -64.4 150.6 -40.6 21.5 -74.1 33 34 A E S S+ 0 0 67 -3,-0.1 2,-0.3 -20,-0.1 -1,-0.1 -0.502 88.0 95.4 -82.7 68.5 -42.4 24.9 -74.3 34 35 A D S S- 0 0 36 -2,-2.2 2,-0.1 -23,-0.0 -20,-0.1 -0.954 88.1 -73.2-152.5 164.5 -43.0 24.6 -70.6 35 36 A F - 0 0 3 -2,-0.3 2,-0.2 -23,-0.1 -23,-0.2 -0.423 52.3-159.1 -64.8 138.8 -41.4 25.8 -67.3 36 37 A S E -A 11 0A 4 -25,-2.8 -25,-2.6 -2,-0.1 2,-0.3 -0.660 20.2 -96.9-114.6 171.5 -38.3 23.9 -66.5 37 38 A I E +A 10 0A 2 37,-3.0 -27,-0.2 -27,-0.2 3,-0.1 -0.703 33.0 170.9 -90.4 137.2 -36.3 23.2 -63.3 38 39 A H E - 0 0 39 -29,-3.0 2,-0.3 1,-0.4 -28,-0.2 0.725 62.9 -44.2-104.6 -54.5 -33.3 25.3 -62.4 39 40 A G E -A 9 0A 0 -30,-1.7 -30,-3.0 72,-0.1 2,-0.5 -0.998 30.2-124.9-169.4 170.0 -32.8 24.1 -58.9 40 41 A L E -A 8 0A 0 -2,-0.3 -32,-0.2 -32,-0.2 71,-0.1 -0.959 41.1-166.9-124.1 104.1 -33.9 23.0 -55.4 41 42 A W E -A 7 0A 40 -34,-3.0 -34,-2.2 -2,-0.5 -36,-0.1 -0.858 20.1-139.2-110.6 116.7 -31.9 25.2 -53.0 42 43 A P E +A 6 0A 0 0, 0.0 2,-0.3 0, 0.0 -36,-0.2 -0.388 38.3 178.6 -61.1 142.7 -31.5 24.7 -49.2 43 44 A N E -A 5 0A 5 -38,-2.6 -39,-2.0 6,-0.2 -38,-1.7 -0.962 28.1-126.2-148.1 161.9 -31.6 28.2 -47.7 44 45 A Y > - 0 0 64 4,-2.6 3,-1.7 -2,-0.3 -41,-0.0 -0.821 25.4-123.7-109.0 150.8 -31.6 30.0 -44.4 45 46 A E T 3 S+ 0 0 110 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.690 108.6 69.0 -67.0 -15.3 -34.2 32.5 -43.2 46 47 A N T 3 S- 0 0 114 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.346 120.3-104.6 -85.1 9.1 -31.4 35.1 -42.8 47 48 A G S < S+ 0 0 13 -3,-1.7 2,-0.1 1,-0.3 143,-0.1 0.283 91.1 101.2 90.1 -13.2 -31.0 35.2 -46.6 48 49 A K - 0 0 146 -5,-0.0 -4,-2.6 0, 0.0 -1,-0.3 -0.429 53.2-160.3 -95.8 177.0 -27.8 33.2 -46.7 49 50 A W - 0 0 100 -6,-0.2 2,-0.2 -2,-0.1 -6,-0.2 -0.995 20.1-108.7-157.0 157.5 -27.5 29.5 -47.7 50 51 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 49,-0.1 -0.562 40.2 171.7 -85.6 155.1 -25.3 26.5 -47.4 51 52 A Q + 0 0 82 -2,-0.2 45,-0.2 1,-0.1 44,-0.2 -0.974 51.7 23.8-161.1 150.8 -23.5 25.2 -50.5 52 53 A N + 0 0 40 43,-2.0 3,-0.4 -2,-0.3 43,-0.2 0.921 63.4 165.5 58.6 49.2 -20.9 22.7 -51.5 53 54 A c S S+ 0 0 64 41,-0.4 -1,-0.1 1,-0.3 2,-0.1 0.541 70.9 25.7 -74.5 -8.2 -21.5 20.6 -48.5 54 55 A D > + 0 0 66 40,-0.5 3,-1.3 3,-0.1 -1,-0.3 -0.535 59.1 178.3-156.8 81.0 -19.6 17.5 -49.8 55 56 A R T 3 S+ 0 0 194 -3,-0.4 -2,-0.1 1,-0.3 3,-0.1 0.412 86.6 55.9 -67.3 6.1 -16.9 18.3 -52.4 56 57 A E T 3 S+ 0 0 179 1,-0.1 2,-1.4 38,-0.1 -1,-0.3 0.625 83.0 88.9-108.8 -22.1 -16.2 14.6 -52.5 57 58 A S < - 0 0 37 -3,-1.3 -1,-0.1 37,-0.1 -3,-0.1 -0.610 62.6-171.3 -83.3 86.9 -19.7 13.3 -53.3 58 59 A S - 0 0 90 -2,-1.4 2,-0.4 1,-0.1 -2,-0.1 -0.242 36.4 -82.1 -72.9 164.7 -19.8 13.3 -57.1 59 60 A L - 0 0 21 27,-0.1 2,-0.9 1,-0.1 -1,-0.1 -0.553 37.0-155.1 -73.0 120.4 -23.0 12.7 -59.1 60 61 A D > - 0 0 61 -2,-0.4 3,-1.6 1,-0.2 4,-0.4 -0.807 6.8-170.3 -99.6 97.4 -23.8 9.0 -59.5 61 62 A E G > S+ 0 0 94 -2,-0.9 3,-0.7 1,-0.3 4,-0.2 0.689 80.3 69.3 -59.2 -22.0 -25.9 8.7 -62.6 62 63 A S G > S+ 0 0 78 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.821 93.1 58.7 -67.6 -29.3 -26.8 5.0 -61.8 63 64 A E G < S+ 0 0 86 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.706 119.0 28.9 -72.2 -20.0 -28.9 6.2 -58.9 64 65 A I G X> S+ 0 0 0 -3,-0.7 3,-2.3 -4,-0.4 4,-1.0 0.127 82.1 124.7-126.0 20.1 -31.0 8.3 -61.2 65 66 A S G X4 S+ 0 0 68 -3,-0.6 3,-1.2 1,-0.3 4,-0.4 0.886 77.0 47.0 -44.5 -56.2 -30.7 6.2 -64.4 66 67 A D G 34 S+ 0 0 102 -4,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.464 112.2 53.6 -70.6 -0.7 -34.5 5.8 -64.9 67 68 A L G <> S+ 0 0 22 -3,-2.3 4,-2.4 2,-0.1 -1,-0.2 0.541 83.0 89.1-107.8 -12.9 -34.9 9.5 -64.3 68 69 A I H S+ 0 0 74 -4,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.885 112.8 47.9 -62.0 -37.1 -34.9 10.9 -69.8 70 71 A T H >> S+ 0 0 54 -3,-0.2 4,-2.6 1,-0.2 3,-0.6 0.902 112.3 49.1 -69.4 -41.7 -37.4 12.9 -67.8 71 72 A M H 3X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.826 101.8 61.6 -68.0 -32.3 -34.7 15.3 -66.5 72 73 A E H 3< S+ 0 0 48 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.815 116.3 34.9 -63.7 -25.5 -33.4 15.9 -70.0 73 74 A K H << S+ 0 0 72 -4,-0.7 -41,-0.5 -3,-0.6 -2,-0.2 0.806 128.7 32.2 -96.4 -35.7 -36.9 17.3 -70.7 74 75 A N H < S+ 0 0 22 -4,-2.6 -37,-3.0 1,-0.2 -3,-0.2 0.605 130.6 31.3 -98.9 -14.3 -37.8 18.9 -67.4 75 76 A W S < S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.309 83.4 165.9-137.9 50.1 -34.3 20.1 -66.2 76 77 A P - 0 0 7 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.234 36.1-126.6 -68.8 156.3 -32.5 20.8 -69.5 77 78 A S - 0 0 9 6,-0.2 6,-0.3 -5,-0.1 9,-0.1 -0.901 21.1-175.8-100.2 131.2 -29.2 22.7 -69.7 78 79 A L + 0 0 8 -2,-0.5 -54,-3.0 -53,-0.1 -1,-0.1 0.300 46.6 113.9-108.9 6.3 -29.5 25.6 -72.2 79 80 A A - 0 0 39 -56,-0.2 4,-0.3 2,-0.1 -56,-0.1 -0.257 69.1 -72.5 -74.2 164.8 -25.9 26.6 -71.9 80 81 A b S S+ 0 0 58 -58,-0.3 2,-0.2 2,-0.1 -58,-0.1 -0.868 105.9 42.3-111.4 145.3 -23.4 26.3 -74.8 81 82 A P S S- 0 0 104 0, 0.0 -57,-0.1 0, 0.0 -2,-0.1 0.588 103.3-101.1 -72.8 167.9 -22.1 24.1 -76.2 82 83 A S + 0 0 63 -2,-0.2 2,-0.2 -56,-0.1 -2,-0.1 -0.321 52.4 176.3 -58.2 132.4 -25.1 21.8 -76.3 83 84 A S - 0 0 14 -6,-0.3 -56,-2.0 -4,-0.3 -55,-0.4 -0.782 44.9-110.0-132.2 175.3 -24.8 19.1 -73.6 84 85 A D - 0 0 71 -2,-0.2 -2,-0.1 -58,-0.2 -1,-0.0 0.481 58.3-111.3 -85.7 -3.4 -26.8 16.2 -72.2 85 86 A G S > S+ 0 0 1 -9,-0.1 4,-2.8 3,-0.0 5,-0.3 0.168 89.4 114.6 95.0 -17.2 -27.5 18.1 -69.0 86 87 A V H > S+ 0 0 23 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.873 76.4 51.8 -54.1 -41.4 -25.3 15.9 -66.8 87 88 A R H > S+ 0 0 173 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 111.3 48.2 -61.9 -42.1 -22.8 18.7 -66.1 88 89 A F H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.921 114.6 44.8 -65.3 -43.9 -25.7 21.0 -65.1 89 90 A W H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.880 111.1 53.1 -68.6 -37.8 -27.2 18.3 -62.8 90 91 A S H X S+ 0 0 33 -4,-2.9 4,-2.7 -5,-0.3 5,-0.3 0.905 110.0 50.1 -62.3 -41.1 -23.8 17.5 -61.3 91 92 A H H X S+ 0 0 84 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.922 113.0 43.7 -62.4 -49.0 -23.4 21.1 -60.6 92 93 A E H X>S+ 0 0 3 -4,-2.2 5,-2.3 2,-0.2 4,-2.3 0.882 115.1 50.5 -67.1 -36.9 -26.7 21.5 -58.8 93 94 A W H <>S+ 0 0 14 -4,-2.7 5,-2.5 3,-0.2 6,-0.2 0.955 116.0 39.7 -65.3 -50.8 -26.2 18.3 -57.0 94 95 A L H <5S+ 0 0 51 -4,-2.7 -40,-0.5 3,-0.2 -41,-0.4 0.934 122.8 40.3 -64.8 -47.4 -22.8 19.1 -55.7 95 96 A K H <5S+ 0 0 58 -4,-2.6 -43,-2.0 -5,-0.3 -42,-0.3 0.901 140.2 2.1 -70.3 -42.4 -23.5 22.8 -54.9 96 97 A H T ><5S+ 0 0 10 -4,-2.3 3,-1.7 -5,-0.3 4,-0.3 0.787 122.5 60.6-115.0 -46.5 -27.0 22.4 -53.5 97 98 A G G > XS+ 0 0 0 -5,-2.3 3,-2.0 1,-0.3 5,-0.6 0.868 98.9 59.3 -54.9 -41.6 -28.1 18.8 -53.3 98 99 A T G 3 - 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