==== 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 18-MAR-04 1VD3 . 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) . 10069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 59.8 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 . 13 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 0 1 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 0 120 0, 0.0 99,-0.1 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 138.8 -25.6 17.2 -42.4 2 2 A Q - 0 0 175 98,-0.1 98,-0.1 1,-0.1 0, 0.0 0.523 360.0-132.6 -93.5 -8.9 -25.4 20.7 -41.0 3 3 A D - 0 0 88 97,-0.1 2,-0.2 175,-0.0 -1,-0.1 0.329 21.4-153.4 71.6 155.4 -29.1 21.4 -41.5 4 4 A F - 0 0 5 97,-0.1 41,-0.2 1,-0.1 3,-0.1 -0.834 23.4-110.3-148.5-177.3 -30.8 24.4 -43.1 5 5 A D S S- 0 0 57 39,-2.1 173,-0.6 1,-0.3 2,-0.3 0.837 78.4 -31.4 -95.5 -37.2 -34.2 26.1 -42.9 6 6 A F E -AB 44 177A 0 38,-1.6 38,-3.2 171,-0.2 2,-0.4 -0.967 57.3-100.3-168.0 176.2 -36.0 25.5 -46.2 7 7 A F E -AB 43 176A 0 169,-2.9 169,-2.1 -2,-0.3 2,-0.6 -0.904 15.5-145.2-113.2 142.6 -35.6 24.8 -49.9 8 8 A Y E -AB 42 175A 12 34,-2.4 34,-3.1 -2,-0.4 2,-0.7 -0.926 18.0-155.9 -98.4 123.8 -36.0 27.3 -52.7 9 9 A F E -AB 41 174A 0 165,-3.7 165,-2.0 -2,-0.6 2,-0.5 -0.938 15.1-163.5-103.4 113.0 -37.5 25.2 -55.5 10 10 A V E +AB 40 173A 0 30,-3.0 29,-3.2 -2,-0.7 30,-1.9 -0.883 14.6 173.6-107.8 122.6 -36.6 27.1 -58.7 11 11 A Q E -AB 38 172A 0 161,-2.3 161,-2.6 -2,-0.5 2,-0.3 -0.826 12.3-156.9-117.9 157.5 -38.2 26.5 -62.1 12 12 A Q E -AB 37 171A 15 25,-2.7 25,-2.6 -2,-0.3 159,-0.2 -0.940 23.1-119.3-137.2 161.5 -37.6 28.5 -65.2 13 13 A W >> - 0 0 0 157,-2.5 3,-1.3 -2,-0.3 4,-0.5 -0.884 24.3-153.0 -98.4 106.0 -39.4 29.2 -68.5 14 14 A P H >> S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-1.3 0.849 90.2 61.8 -45.5 -46.3 -37.0 27.9 -71.2 15 15 A A H 3> S+ 0 0 5 1,-0.3 4,-1.1 2,-0.2 3,-0.2 0.850 100.7 53.3 -52.5 -39.5 -38.2 30.4 -73.8 16 16 A S H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 1,-0.2 152,-0.1 0.574 106.7 52.1 -75.1 -10.5 -37.1 33.3 -71.7 17 17 A Y H << S+ 0 0 63 -3,-1.9 3,-0.3 -4,-0.5 -1,-0.2 0.693 114.5 43.5 -93.6 -23.1 -33.6 31.9 -71.4 18 18 A a H < S+ 0 0 35 -4,-1.3 6,-0.2 -3,-0.2 -2,-0.2 0.559 103.3 60.6-100.0 -9.6 -33.4 31.5 -75.2 19 19 A D S < S+ 0 0 41 -4,-1.1 144,-2.0 -5,-0.2 145,-0.3 0.064 89.4 92.6-105.7 25.3 -34.8 34.8 -76.5 20 20 A T S S- 0 0 24 -3,-0.3 142,-0.1 142,-0.3 4,-0.1 -0.304 93.4 -94.8-103.5-169.5 -32.2 37.0 -74.8 21 21 A R S S+ 0 0 233 140,-0.3 141,-0.1 -2,-0.1 -3,-0.0 0.685 100.3 84.3 -81.1 -19.5 -28.9 38.4 -75.9 22 22 A R S S- 0 0 198 1,-0.1 2,-0.4 -5,-0.1 -2,-0.2 -0.246 90.6 -93.0 -78.3 170.6 -27.0 35.5 -74.3 23 23 A S - 0 0 89 -4,-0.1 2,-0.4 58,-0.1 58,-0.3 -0.731 38.3-178.4 -92.5 130.9 -26.4 32.1 -75.9 24 24 A a - 0 0 32 -2,-0.4 2,-0.4 -6,-0.2 56,-0.2 -0.992 5.8-165.8-127.7 132.8 -28.8 29.2 -75.4 25 25 A b - 0 0 35 54,-2.8 59,-0.3 -2,-0.4 -2,-0.0 -0.978 23.2-120.2-122.4 128.8 -28.2 25.7 -76.9 26 26 A Y - 0 0 94 -2,-0.4 5,-0.2 57,-0.1 53,-0.1 -0.314 40.6 -96.4 -64.0 148.7 -30.9 23.1 -77.1 27 27 A P > - 0 0 8 0, 0.0 3,-2.2 0, 0.0 58,-0.2 -0.016 36.2-100.0 -58.5 167.8 -30.1 19.8 -75.2 28 28 A T T 3 S+ 0 0 84 56,-1.9 57,-0.2 1,-0.3 3,-0.1 0.736 126.3 60.0 -62.9 -21.1 -28.7 16.7 -77.0 29 29 A T T 3 S- 0 0 70 55,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.410 116.9-111.7 -86.8 0.5 -32.3 15.5 -77.0 30 30 A G < - 0 0 30 -3,-2.2 -1,-0.3 -4,-0.0 -2,-0.0 -0.361 64.4 -5.7 99.8 179.7 -33.5 18.5 -79.0 31 31 A K S S- 0 0 113 -5,-0.2 3,-0.1 -2,-0.1 -5,-0.0 -0.229 78.3-117.8 -51.2 125.9 -35.6 21.5 -78.4 32 32 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 42,-0.1 -0.178 33.8 -87.9 -65.8 160.4 -37.2 21.3 -74.9 33 33 A D - 0 0 78 41,-0.4 2,-1.9 1,-0.1 4,-0.0 -0.269 40.5-107.4 -63.7 153.7 -41.0 21.1 -74.3 34 34 A E S S+ 0 0 80 -3,-0.1 2,-0.3 -20,-0.1 -1,-0.1 -0.622 88.3 97.0 -84.6 79.7 -42.8 24.4 -74.0 35 35 A D S S- 0 0 38 -2,-1.9 2,-0.2 -23,-0.1 -20,-0.1 -0.960 86.6 -77.2-158.5 161.9 -43.3 23.9 -70.3 36 36 A F - 0 0 2 -2,-0.3 2,-0.2 -23,-0.1 -23,-0.2 -0.483 49.6-158.6 -69.3 138.2 -41.6 25.1 -67.1 37 37 A S E -A 12 0A 5 -25,-2.6 -25,-2.7 -2,-0.2 2,-0.3 -0.717 21.8 -96.9-113.8 166.0 -38.4 23.2 -66.4 38 38 A I E +A 11 0A 1 37,-3.2 -27,-0.3 -2,-0.2 3,-0.1 -0.654 31.4 174.6 -85.4 134.7 -36.4 22.7 -63.2 39 39 A H E - 0 0 39 -29,-3.2 2,-0.3 1,-0.3 -28,-0.2 0.781 63.5 -56.2 -98.5 -52.3 -33.4 24.9 -62.5 40 40 A G E -A 10 0A 0 -30,-1.9 -30,-3.0 72,-0.1 2,-0.6 -0.987 31.1-114.1-178.7 168.6 -32.7 23.5 -59.0 41 41 A L E -A 9 0A 0 -2,-0.3 -32,-0.2 -32,-0.2 60,-0.1 -0.973 41.6-165.0-118.4 109.9 -33.8 22.6 -55.5 42 42 A W E -A 8 0A 42 -34,-3.1 -34,-2.4 -2,-0.6 2,-0.2 -0.873 19.4-139.3-112.0 120.4 -31.7 24.7 -53.1 43 43 A P E +A 7 0A 0 0, 0.0 2,-0.3 0, 0.0 -36,-0.2 -0.500 38.6 179.1 -66.9 135.1 -31.2 24.3 -49.3 44 44 A N E -A 6 0A 7 -38,-3.2 -39,-2.1 -2,-0.2 -38,-1.6 -0.919 27.7-127.3-139.5 164.3 -31.4 27.8 -47.8 45 45 A Y > - 0 0 68 4,-2.5 3,-1.3 -2,-0.3 -41,-0.0 -0.793 24.7-124.4-107.8 153.7 -31.2 29.7 -44.5 46 46 A E T 3 S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.619 107.0 70.7 -73.0 -9.5 -33.8 32.2 -43.3 47 47 A N T 3 S- 0 0 107 2,-0.1 -1,-0.3 141,-0.0 3,-0.1 0.322 119.6-104.0 -88.4 9.6 -31.0 34.8 -43.0 48 48 A G S < S+ 0 0 39 -3,-1.3 2,-0.1 1,-0.3 -2,-0.1 0.281 93.4 97.7 89.7 -13.5 -30.7 35.1 -46.8 49 49 A K - 0 0 143 -5,-0.0 -4,-2.5 0, 0.0 -1,-0.3 -0.365 54.5-162.1 -96.9-178.8 -27.5 33.0 -47.0 50 50 A W - 0 0 117 -6,-0.2 2,-0.2 -2,-0.1 -6,-0.2 -0.992 22.0-106.7-163.1 158.0 -27.2 29.3 -47.8 51 51 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 49,-0.1 -0.600 40.6 175.0 -86.4 150.6 -24.9 26.3 -47.5 52 52 A Q + 0 0 81 -2,-0.2 45,-0.2 1,-0.1 44,-0.2 -0.986 53.9 18.6-155.7 150.7 -23.2 25.1 -50.7 53 53 A N + 0 0 36 43,-1.6 3,-0.4 -2,-0.3 43,-0.2 0.945 66.4 166.3 53.1 54.7 -20.7 22.5 -51.8 54 54 A c S S+ 0 0 67 41,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.649 70.6 27.1 -75.5 -16.8 -21.2 20.6 -48.6 55 55 A D > + 0 0 70 40,-0.5 3,-2.4 3,-0.1 -1,-0.3 -0.623 61.4 178.4-147.4 80.6 -19.4 17.4 -49.8 56 56 A R T 3 S+ 0 0 194 -3,-0.4 3,-0.1 1,-0.3 -2,-0.1 0.340 83.8 61.2 -66.9 10.0 -16.8 18.2 -52.5 57 57 A E T 3 S+ 0 0 184 1,-0.1 2,-0.8 38,-0.1 -1,-0.3 0.357 82.3 87.1-114.9 0.1 -16.0 14.5 -52.4 58 58 A S < - 0 0 33 -3,-2.4 -1,-0.1 37,-0.1 -3,-0.1 -0.709 60.9-173.6-106.4 82.8 -19.5 13.3 -53.5 59 59 A S - 0 0 88 -2,-0.8 2,-0.4 1,-0.1 -2,-0.1 -0.245 37.8 -87.0 -70.1 160.9 -19.6 13.3 -57.3 60 60 A L - 0 0 20 27,-0.1 2,-0.8 1,-0.1 -1,-0.1 -0.563 35.8-155.2 -73.5 124.1 -22.8 12.6 -59.2 61 61 A D > - 0 0 60 -2,-0.4 3,-1.5 1,-0.2 4,-0.4 -0.858 5.6-168.3-104.1 99.7 -23.4 8.9 -59.7 62 62 A E G > S+ 0 0 96 -2,-0.8 3,-1.5 1,-0.3 4,-0.4 0.765 80.2 71.5 -56.3 -31.5 -25.6 8.6 -62.8 63 63 A S G > S+ 0 0 77 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.842 92.1 58.9 -56.7 -32.9 -26.3 4.9 -62.1 64 64 A E G < S+ 0 0 89 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.694 118.2 28.8 -70.8 -19.5 -28.4 5.9 -59.1 65 65 A I G X> S+ 0 0 0 -3,-1.5 3,-2.4 -4,-0.4 4,-1.1 0.134 81.6 127.4-125.9 18.6 -30.8 7.9 -61.3 66 66 A S G X4 S+ 0 0 69 -3,-0.7 3,-0.7 -4,-0.4 4,-0.4 0.833 75.4 47.4 -42.0 -50.4 -30.4 5.9 -64.5 67 67 A D G 34 S+ 0 0 101 -4,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.541 110.4 53.5 -74.8 -7.8 -34.1 5.4 -65.0 68 68 A L G <> S+ 0 0 15 -3,-2.4 4,-2.7 2,-0.1 3,-0.5 0.574 84.6 87.8-100.5 -13.7 -34.9 9.1 -64.3 69 69 A I H S+ 0 0 76 -4,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.870 114.2 44.0 -60.1 -35.0 -34.9 10.4 -69.9 71 71 A T H >> S+ 0 0 49 -3,-0.5 4,-2.3 -4,-0.2 3,-0.8 0.903 112.8 51.5 -74.3 -42.0 -37.4 12.4 -67.8 72 72 A M H 3X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 -2,-0.2 0.835 100.5 62.1 -64.1 -33.6 -34.7 14.7 -66.5 73 73 A E H 3< S+ 0 0 44 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.815 116.0 34.3 -62.5 -26.1 -33.5 15.4 -70.1 74 74 A K H << S+ 0 0 127 -3,-0.8 -41,-0.4 -4,-0.5 -2,-0.2 0.747 128.6 32.5 -99.5 -28.1 -37.0 16.8 -70.7 75 75 A N H < S+ 0 0 20 -4,-2.3 -37,-3.2 1,-0.2 -3,-0.2 0.524 130.4 31.0-106.7 -7.9 -37.9 18.4 -67.3 76 76 A W S < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.1 -0.302 82.7 163.0-144.2 51.6 -34.4 19.5 -66.2 77 77 A P - 0 0 6 0, 0.0 2,-0.5 0, 0.0 9,-0.1 -0.248 38.0-124.4 -73.0 160.0 -32.5 20.3 -69.4 78 78 A S - 0 0 14 6,-0.3 6,-0.4 -5,-0.1 9,-0.1 -0.928 20.9-175.3-103.4 126.7 -29.4 22.4 -69.7 79 79 A L + 0 0 7 -2,-0.5 -54,-2.8 4,-0.1 -1,-0.1 0.318 47.7 114.0-102.9 6.4 -29.8 25.3 -72.1 80 80 A A - 0 0 40 -56,-0.2 4,-0.2 2,-0.1 -56,-0.1 -0.337 69.6 -69.8 -75.8 159.7 -26.2 26.4 -71.8 81 81 A b S S+ 0 0 60 -58,-0.3 2,-0.1 2,-0.1 -1,-0.1 -0.799 106.1 40.9-103.8 145.6 -23.8 26.2 -74.8 82 82 A P S S- 0 0 105 0, 0.0 -57,-0.1 0, 0.0 -2,-0.1 0.568 102.3 -99.2 -78.3 168.1 -22.5 24.0 -76.2 83 83 A S + 0 0 62 -2,-0.1 2,-0.3 -56,-0.1 -57,-0.1 -0.187 54.3 171.2 -50.4 133.0 -25.4 21.6 -76.4 84 84 A S - 0 0 31 -6,-0.4 -56,-1.9 -59,-0.3 -55,-0.3 -0.864 47.5-110.8-140.6 173.3 -25.2 18.9 -73.8 85 85 A D - 0 0 72 -2,-0.3 -2,-0.1 -58,-0.2 -1,-0.0 0.582 58.7-111.4 -83.2 -11.1 -27.1 16.0 -72.3 86 86 A G S > S+ 0 0 0 -9,-0.1 4,-2.8 -8,-0.0 5,-0.3 0.206 86.7 116.2 102.0 -15.1 -27.5 17.8 -69.0 87 87 A V H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.854 76.4 52.5 -55.4 -39.5 -25.3 15.6 -66.9 88 88 A R H > S+ 0 0 205 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.937 111.8 46.1 -62.3 -46.6 -22.9 18.4 -66.2 89 89 A F H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.905 114.5 47.0 -63.0 -43.2 -25.7 20.7 -65.0 90 90 A W H X S+ 0 0 1 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.874 112.1 50.9 -67.3 -36.5 -27.2 17.9 -62.9 91 91 A S H X S+ 0 0 33 -4,-2.6 4,-2.9 -5,-0.3 5,-0.2 0.937 110.8 49.6 -64.4 -45.5 -23.7 17.2 -61.5 92 92 A H H X S+ 0 0 86 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.913 112.5 45.4 -58.7 -48.8 -23.3 20.9 -60.7 93 93 A E H X>S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 5,-2.3 0.890 114.0 50.6 -65.1 -38.6 -26.6 21.2 -58.9 94 94 A W H <>S+ 0 0 14 -4,-2.3 5,-2.5 3,-0.2 6,-0.2 0.959 115.2 41.2 -63.3 -51.6 -26.0 18.0 -57.0 95 95 A L H <5S+ 0 0 49 -4,-2.9 -40,-0.5 3,-0.2 -41,-0.4 0.933 122.9 38.7 -62.7 -47.0 -22.6 19.0 -55.8 96 96 A K H <5S+ 0 0 54 -4,-2.6 -43,-1.6 -5,-0.2 -42,-0.2 0.877 141.1 2.9 -73.5 -40.4 -23.4 22.6 -55.0 97 97 A H T ><5S+ 0 0 8 -4,-2.5 3,-1.6 -5,-0.3 4,-0.4 0.756 122.6 61.4-116.1 -44.8 -26.9 22.1 -53.5 98 98 A G G > - 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