==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/IMMUNE SYSTEM 11-MAR-07 2P47 . COMPND 2 MOLECULE: RIBONUCLEASE PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR V.TERESHKO,S.UYSAL,A.KOIDE,K.MARGALEF,S.KOIDE,A.A.KOSSIAKOFF . 244 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 30.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 20 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 PARALLEL BRIDGES PER LADDER . 0 2 3 1 2 4 0 1 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 . 0 0 3 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 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 E 0 0 122 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 141.0 50.1 26.8 53.9 2 3 A T > - 0 0 96 1,-0.1 4,-1.8 4,-0.0 5,-0.2 -0.406 360.0-112.8 -66.2 153.9 48.9 28.5 50.7 3 4 A A H > S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.858 119.1 54.8 -58.3 -33.5 46.0 30.9 51.2 4 5 A A H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 107.5 46.3 -68.4 -43.6 43.8 28.4 49.2 5 6 A A H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.819 112.2 54.0 -65.5 -28.2 44.6 25.4 51.5 6 7 A K H X S+ 0 0 95 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.830 107.7 48.6 -75.9 -32.8 43.9 27.9 54.5 7 8 A F H X S+ 0 0 3 -4,-1.6 4,-2.7 109,-0.2 5,-0.5 0.922 112.2 48.6 -71.0 -45.0 40.5 28.7 53.1 8 9 A E H X S+ 0 0 74 -4,-2.2 4,-1.6 3,-0.2 -2,-0.2 0.931 115.3 46.0 -57.7 -42.5 39.7 25.0 52.7 9 10 A R H < S+ 0 0 79 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.896 121.7 35.0 -71.4 -39.8 40.9 24.4 56.3 10 11 A Q H < S+ 0 0 31 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.781 135.2 16.2 -85.6 -28.0 39.0 27.3 57.9 11 12 A H H < S+ 0 0 12 -4,-2.7 35,-2.8 -5,-0.2 2,-0.5 0.473 100.4 85.8-132.6 -2.0 35.8 27.4 55.8 12 13 A M B < +a 46 0A 8 -4,-1.6 35,-0.2 -5,-0.5 2,-0.1 -0.889 28.1 159.8-111.0 129.5 35.2 24.1 53.8 13 14 A D > + 0 0 14 33,-3.0 3,-1.1 -2,-0.5 4,-0.2 -0.571 7.0 171.6-138.3 80.5 33.5 20.9 55.0 14 15 A S T 3 + 0 0 69 1,-0.2 33,-0.1 -2,-0.1 36,-0.1 0.313 69.4 60.6 -74.2 13.6 32.5 19.1 51.9 15 16 A S T 3 S+ 0 0 100 34,-0.0 -1,-0.2 33,-0.0 3,-0.1 0.380 90.4 60.4-122.2 3.3 31.4 15.9 53.8 16 17 A T S < S- 0 0 50 -3,-1.1 -2,-0.1 1,-0.1 4,-0.1 0.973 70.2-154.5 -75.8 -64.3 28.6 16.9 56.3 17 18 A S S S- 0 0 88 30,-0.2 2,-0.3 -4,-0.2 -1,-0.1 -0.838 70.2 -3.6-100.2 21.9 26.5 17.8 54.4 18 19 A A S S- 0 0 35 -3,-0.1 2,-1.5 28,-0.1 63,-0.1 -0.939 78.7 -98.4-153.6 159.6 25.0 20.1 57.1 19 20 A A + 0 0 10 -2,-0.3 81,-0.2 1,-0.2 6,-0.1 -0.557 48.8 163.3 -77.6 89.5 25.7 20.6 60.9 20 21 A S + 0 0 126 -2,-1.5 2,-0.4 -4,-0.1 -1,-0.2 0.763 60.7 59.5 -83.7 -26.5 23.0 18.3 62.4 21 22 A S S > S- 0 0 56 1,-0.1 3,-1.0 2,-0.0 4,-0.2 -0.838 74.5-145.1 -95.8 142.4 24.6 18.1 65.9 22 23 A S T 3 S+ 0 0 86 -2,-0.4 3,-0.5 1,-0.3 4,-0.4 0.597 99.4 71.2 -87.5 -7.7 25.2 21.4 67.8 23 24 A N T 3> S+ 0 0 98 1,-0.2 4,-1.6 2,-0.1 -1,-0.3 0.572 76.9 95.6 -66.6 -10.4 28.4 20.0 69.3 24 25 A Y H <> S+ 0 0 19 -3,-1.0 4,-1.2 1,-0.2 5,-0.2 0.871 80.3 44.7 -50.7 -48.5 29.6 20.5 65.6 25 26 A a H > S+ 0 0 0 -3,-0.5 4,-3.2 1,-0.2 5,-0.4 0.916 110.1 53.7 -72.6 -44.4 31.3 24.0 66.0 26 27 A N H > S+ 0 0 67 -4,-0.4 4,-0.9 70,-0.4 -1,-0.2 0.852 117.9 38.3 -51.5 -38.3 33.1 23.2 69.3 27 28 A Q H X S+ 0 0 117 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.549 119.4 45.1-102.2 -5.5 34.6 20.1 67.6 28 29 A M H X S+ 0 0 20 -4,-1.2 4,-2.2 -3,-0.3 6,-0.3 0.747 108.3 55.6 -98.6 -34.0 35.2 21.6 64.1 29 30 A M H <>S+ 0 0 0 -4,-3.2 5,-2.4 -5,-0.2 6,-0.5 0.948 116.5 39.8 -60.9 -42.6 36.7 24.9 65.4 30 31 A K H ><5S+ 0 0 150 -4,-0.9 3,-2.3 -5,-0.4 5,-0.3 0.988 112.8 54.6 -64.1 -61.3 39.3 22.7 67.4 31 32 A S H 3<5S+ 0 0 84 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.811 110.8 47.1 -37.5 -44.8 39.7 20.2 64.5 32 33 A R T 3<5S- 0 0 52 -4,-2.2 -1,-0.3 -22,-0.1 -2,-0.1 -0.099 116.1-113.3 -97.7 33.0 40.6 23.0 62.1 33 34 A N T X 5S+ 0 0 99 -3,-2.3 3,-0.8 1,-0.2 4,-0.3 0.672 76.6 131.9 53.2 23.1 43.1 24.7 64.5 34 35 A L T 3 - 0 0 50 -2,-0.3 4,-1.8 1,-0.1 -1,-0.1 -0.286 39.5-121.2 -55.8 153.2 31.6 20.4 47.0 50 51 A L H > S+ 0 0 45 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.841 116.3 59.2 -69.1 -30.5 34.8 22.4 46.5 51 52 A A H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.949 105.6 47.7 -61.9 -45.8 34.0 22.5 42.8 52 53 A D H 4 S+ 0 0 84 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.915 118.0 42.2 -59.8 -39.7 30.7 24.3 43.7 53 54 A V H >< S+ 0 0 0 -4,-1.8 3,-2.0 2,-0.2 4,-0.4 0.943 114.0 48.0 -76.2 -48.3 32.6 26.8 46.0 54 55 A Q H >< S+ 0 0 63 -4,-3.5 3,-1.5 1,-0.3 -1,-0.2 0.880 103.6 64.3 -60.9 -35.4 35.6 27.4 43.7 55 56 A A G >< S+ 0 0 43 -4,-2.0 3,-1.0 -5,-0.3 -1,-0.3 0.572 84.3 75.7 -62.6 -10.6 33.1 28.0 40.9 56 57 A V G X S+ 0 0 0 -3,-2.0 3,-2.3 1,-0.2 -1,-0.2 0.823 78.8 73.9 -70.0 -29.3 31.8 31.1 42.8 57 58 A c G < S+ 0 0 7 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.535 99.4 44.3 -63.1 -4.4 35.0 32.9 41.7 58 59 A S G < S+ 0 0 73 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.2 0.236 103.0 80.6-119.3 11.2 33.4 33.2 38.2 59 60 A Q S < S- 0 0 30 -3,-2.3 2,-0.1 1,-0.2 15,-0.1 -0.020 98.7 -16.5-100.5-154.2 29.9 34.2 39.3 60 61 A K E -D 73 0B 78 13,-0.7 13,-2.8 12,-0.1 2,-0.5 -0.270 63.1-142.1 -58.9 115.9 28.7 37.7 40.4 61 62 A N E +D 72 0B 5 11,-0.2 11,-0.3 -2,-0.1 93,-0.3 -0.663 33.9 167.5 -65.3 120.0 31.7 40.0 41.1 62 63 A V E -D 71 0B 23 9,-2.0 9,-1.1 -2,-0.5 2,-0.5 -0.759 40.4 -80.6-128.3 179.9 30.6 42.2 44.1 63 64 A A - 0 0 62 -2,-0.2 6,-0.3 7,-0.1 5,-0.1 -0.716 40.8-123.9 -86.2 126.1 32.5 44.6 46.5 64 65 A d > - 0 0 5 4,-2.6 3,-1.8 -2,-0.5 7,-0.0 -0.292 30.0-111.7 -54.9 151.0 34.4 43.0 49.5 65 66 A K T 3 S+ 0 0 165 1,-0.3 -1,-0.1 2,-0.1 4,-0.0 0.724 116.3 57.9 -68.0 -15.1 33.2 44.4 52.8 66 67 A N T 3 S- 0 0 105 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.353 127.0 -92.5 -93.3 6.1 36.6 46.2 53.3 67 68 A G S < S+ 0 0 51 -3,-1.8 -2,-0.1 1,-0.4 -3,-0.0 0.057 87.1 123.8 108.6 -25.9 36.3 48.2 50.0 68 69 A Q - 0 0 45 -5,-0.1 -4,-2.6 1,-0.1 -1,-0.4 -0.254 52.1-147.0 -69.4 160.5 38.2 45.8 47.6 69 70 A T S S+ 0 0 13 -6,-0.3 87,-0.3 1,-0.1 88,-0.2 0.241 72.6 92.9-118.3 11.0 36.4 44.6 44.5 70 71 A N + 0 0 2 -9,-0.1 39,-2.2 86,-0.1 2,-0.3 -0.147 60.6 113.7 -99.5 41.3 37.8 41.0 44.0 71 72 A d E -DE 62 108B 0 -9,-1.1 -9,-2.0 37,-0.3 2,-0.4 -0.756 50.0-154.4-106.2 157.5 35.0 39.4 45.9 72 73 A Y E -DE 61 107B 4 35,-2.5 35,-2.0 -2,-0.3 2,-0.4 -0.996 6.0-144.8-139.7 137.1 32.3 37.0 44.4 73 74 A Q E -DE 60 106B 57 -13,-2.8 -13,-0.7 -2,-0.4 33,-0.2 -0.839 30.8-109.6-104.3 134.4 28.7 36.1 45.4 74 75 A S - 0 0 1 31,-2.1 -18,-0.1 -2,-0.4 4,-0.1 -0.274 13.1-137.1 -70.3 142.6 27.4 32.5 44.8 75 76 A Y S S+ 0 0 150 2,-0.1 2,-0.3 29,-0.0 -1,-0.1 0.956 89.9 28.1 -61.0 -52.7 24.7 31.8 42.1 76 77 A S S S- 0 0 84 1,-0.1 27,-0.1 27,-0.1 -2,-0.0 -0.749 98.8 -92.2-108.9 156.6 22.6 29.5 44.3 77 78 A T - 0 0 71 -2,-0.3 2,-0.3 27,-0.1 27,-0.3 -0.289 44.6-148.0 -58.1 152.0 22.3 29.4 48.1 78 79 A M E - C 0 103A 11 25,-3.7 25,-1.8 -4,-0.1 2,-0.6 -0.917 19.6-104.8-124.9 153.4 24.8 27.0 49.8 79 80 A S E + C 0 102A 13 -2,-0.3 -32,-3.7 23,-0.2 2,-0.3 -0.673 53.5 166.6 -74.2 116.9 24.6 24.9 52.9 80 81 A I E -BC 46 101A 0 21,-2.8 21,-2.6 -2,-0.6 2,-0.4 -0.904 30.9-143.8-129.3 163.5 26.7 26.7 55.6 81 82 A T E -BC 45 100A 0 -36,-2.2 -36,-2.1 -2,-0.3 2,-0.6 -0.982 13.0-148.3-126.3 122.6 27.2 26.5 59.4 82 83 A D E -BC 44 99A 26 17,-2.8 17,-1.4 -2,-0.4 2,-0.6 -0.787 8.4-159.6 -89.9 122.0 27.8 29.7 61.4 83 84 A a E +BC 43 98A 0 -40,-2.9 -40,-1.5 -2,-0.6 2,-0.4 -0.921 18.1 173.6 -98.9 120.5 30.1 29.1 64.5 84 85 A R E -BC 42 97A 131 13,-2.0 13,-4.2 -2,-0.6 -42,-0.2 -0.984 34.7-111.7-129.8 133.9 29.6 31.9 67.0 85 86 A E E - 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