==== 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 2P48 . 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 . 245 2 5 5 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 63.7 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 . 78 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.8 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 . 19 7.8 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 . 1 2 3 0 3 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 1 A K 0 0 260 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.2 25.2 4.9 35.2 2 2 A E - 0 0 106 1,-0.1 2,-0.1 2,-0.1 5,-0.0 -0.330 360.0-117.6 -66.2 142.9 23.7 8.3 36.2 3 3 A T > - 0 0 86 1,-0.1 4,-2.0 -2,-0.0 5,-0.1 -0.445 19.2-120.6 -76.1 153.1 23.6 11.0 33.6 4 4 A A H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.838 115.7 50.0 -63.4 -31.1 25.6 14.2 34.2 5 5 A A H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 110.3 48.8 -77.2 -35.6 22.3 16.3 34.0 6 6 A A H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.829 110.2 53.2 -70.9 -31.8 20.5 13.9 36.5 7 7 A K H X S+ 0 0 88 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.939 106.6 50.6 -67.8 -47.6 23.5 14.2 38.8 8 8 A F H X S+ 0 0 3 -4,-1.9 4,-2.6 109,-0.2 5,-0.3 0.920 110.2 51.5 -54.7 -45.4 23.4 18.1 38.8 9 9 A E H X S+ 0 0 71 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.965 114.3 42.9 -55.2 -52.6 19.7 17.9 39.7 10 10 A R H < S+ 0 0 60 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.902 120.9 40.5 -60.5 -46.5 20.5 15.5 42.6 11 11 A Q H < S+ 0 0 18 -4,-3.1 -1,-0.2 1,-0.1 -2,-0.2 0.831 133.1 15.4 -73.5 -33.0 23.5 17.5 43.9 12 12 A H H < S+ 0 0 15 -4,-2.6 35,-1.6 -5,-0.3 2,-0.5 0.430 98.0 90.5-134.8 9.2 22.2 21.0 43.4 13 13 A M B < +a 47 0A 14 -4,-2.0 2,-0.2 -5,-0.3 35,-0.2 -0.915 25.7 158.6-116.2 125.4 18.4 21.3 42.9 14 14 A D > + 0 0 7 33,-2.8 3,-0.8 -2,-0.5 32,-0.1 -0.609 9.5 156.1-134.1 78.2 15.7 21.8 45.6 15 15 A S T 3 + 0 0 62 1,-0.2 -1,-0.1 33,-0.2 33,-0.1 0.720 66.5 72.9 -75.8 -16.0 12.7 23.3 43.9 16 16 A S T 3 S+ 0 0 115 -3,-0.1 2,-0.3 33,-0.1 -1,-0.2 0.774 97.2 53.3 -74.6 -22.6 10.4 21.9 46.7 17 17 A T < - 0 0 41 -3,-0.8 3,-0.1 1,-0.1 -3,-0.1 -0.798 65.8-151.9-103.6 155.3 11.7 24.5 49.1 18 18 A S S S- 0 0 96 -2,-0.3 2,-0.3 1,-0.3 30,-0.2 0.856 82.8 -20.0 -85.0 -42.5 11.8 28.3 48.7 19 19 A A S S- 0 0 21 28,-0.1 2,-0.6 82,-0.1 -1,-0.3 -0.909 80.2 -83.5-147.9 174.8 14.9 28.6 51.1 20 20 A A - 0 0 13 -2,-0.3 81,-0.1 61,-0.2 61,-0.0 -0.825 40.7-178.0 -82.6 119.9 16.6 26.6 53.9 21 21 A S + 0 0 118 -2,-0.6 2,-0.3 3,-0.0 -1,-0.1 0.554 60.0 55.4 -99.9 -5.2 14.6 27.4 57.1 22 22 A S S > S- 0 0 50 1,-0.1 3,-1.1 0, 0.0 4,-0.3 -0.882 77.7-126.8-119.2 158.0 16.7 25.3 59.7 23 23 A S T 3 S+ 0 0 93 -2,-0.3 4,-0.3 1,-0.2 76,-0.2 0.712 113.1 56.3 -67.1 -17.8 20.4 25.2 60.6 24 24 A N T 3> S+ 0 0 80 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.093 72.6 103.8-104.1 22.0 20.2 21.4 59.8 25 25 A Y H <> S+ 0 0 12 -3,-1.1 4,-3.3 2,-0.2 5,-0.3 0.982 85.3 44.7 -65.7 -52.3 18.9 21.7 56.3 26 26 A a H > S+ 0 0 0 -4,-0.3 4,-3.0 -3,-0.2 5,-0.4 0.937 111.1 53.0 -58.0 -48.4 22.4 20.9 54.9 27 27 A N H > S+ 0 0 35 70,-0.4 4,-1.4 -4,-0.3 5,-0.2 0.962 116.7 38.7 -51.8 -51.4 22.9 18.0 57.3 28 28 A Q H X S+ 0 0 118 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.981 122.1 42.3 -68.6 -51.6 19.5 16.4 56.3 29 29 A M H X S+ 0 0 23 -4,-3.3 4,-3.4 -5,-0.2 6,-0.3 0.930 109.2 55.4 -60.9 -52.0 19.9 17.3 52.5 30 30 A M H <>S+ 0 0 0 -4,-3.0 5,-3.0 -5,-0.3 6,-0.6 0.918 117.9 38.6 -50.3 -40.4 23.6 16.4 52.1 31 31 A K H ><5S+ 0 0 76 -4,-1.4 3,-2.0 -5,-0.4 5,-0.3 0.968 114.9 53.7 -73.0 -52.4 22.7 12.9 53.5 32 32 A S H 3<5S+ 0 0 82 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.876 109.1 48.2 -43.5 -48.8 19.3 12.8 51.6 33 33 A R T 3<5S- 0 0 54 -4,-3.4 -1,-0.3 -5,-0.1 -2,-0.1 0.060 117.6-111.4 -89.9 31.4 21.0 13.5 48.2 34 34 A N T < 5S+ 0 0 87 -3,-2.0 -3,-0.2 1,-0.1 4,-0.2 0.886 76.8 136.3 39.6 46.4 23.6 10.8 48.9 35 35 A L S - 0 0 51 -2,-0.3 4,-1.8 1,-0.1 3,-0.2 -0.236 41.3-116.1 -53.6 154.5 12.1 25.8 39.4 51 51 A L H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.840 116.7 55.8 -73.3 -23.8 14.1 23.4 37.1 52 52 A A H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.820 105.1 51.4 -72.6 -32.3 13.1 25.5 34.1 53 53 A D H 4 S+ 0 0 78 -3,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.913 116.1 41.2 -70.4 -41.5 14.4 28.7 35.6 54 54 A V H >< S+ 0 0 0 -4,-1.8 3,-2.1 2,-0.2 4,-0.5 0.960 113.3 51.4 -72.1 -51.7 17.7 27.0 36.3 55 55 A Q H >< S+ 0 0 71 -4,-2.6 3,-1.7 1,-0.3 4,-0.2 0.904 102.9 62.1 -51.1 -43.1 17.9 25.2 32.9 56 56 A A G >< S+ 0 0 38 -4,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.671 83.9 77.6 -60.5 -16.0 17.2 28.6 31.2 57 57 A V G X S+ 0 0 0 -3,-2.1 3,-1.8 -4,-0.3 -1,-0.3 0.855 82.3 68.0 -63.0 -29.9 20.5 30.0 32.7 58 58 A c G < S+ 0 0 7 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.654 100.6 47.7 -62.6 -18.8 22.3 28.0 29.9 59 59 A S G < S+ 0 0 83 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.325 105.1 78.0 -98.0 6.7 20.7 30.4 27.4 60 60 A Q S < S- 0 0 44 -3,-1.8 2,-0.3 -4,-0.2 15,-0.1 0.099 97.1 -21.6 -99.4-149.7 21.8 33.5 29.4 61 61 A K E -D 74 0B 90 13,-0.8 13,-2.3 1,-0.1 2,-0.5 -0.391 59.3-134.5 -71.1 126.3 25.2 35.3 29.7 62 62 A N E +D 73 0B 7 -2,-0.3 11,-0.3 11,-0.2 2,-0.3 -0.582 35.6 165.8 -79.3 117.9 28.3 33.2 28.8 63 63 A V E -D 72 0B 21 9,-2.4 9,-1.2 -2,-0.5 2,-0.2 -0.847 39.5 -92.0-124.2 168.0 31.1 33.7 31.4 64 64 A A - 0 0 54 -2,-0.3 6,-0.3 7,-0.1 5,-0.1 -0.498 37.9-120.6 -73.3 144.1 34.3 31.8 32.2 65 65 A d > - 0 0 8 4,-4.1 3,-1.9 -2,-0.2 -1,-0.1 -0.417 30.9-106.7 -74.5 161.1 34.3 29.0 34.8 66 66 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.896 124.9 57.1 -62.1 -38.1 36.7 29.5 37.8 67 67 A N T 3 S- 0 0 108 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.451 125.6-109.9 -66.2 1.5 39.1 26.8 36.4 68 68 A G S < S+ 0 0 43 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.288 76.3 135.9 88.6 -15.9 39.1 29.2 33.3 69 69 A Q - 0 0 52 -5,-0.1 -4,-4.1 1,-0.1 -1,-0.3 -0.251 50.5-139.0 -52.5 157.9 37.1 26.9 31.0 70 70 A T S S+ 0 0 12 -6,-0.3 88,-0.3 1,-0.1 87,-0.2 0.193 72.6 94.7-124.3 19.8 34.4 28.9 29.1 71 71 A N + 0 0 4 -9,-0.1 39,-2.5 86,-0.1 2,-0.3 -0.025 62.5 118.1 -99.4 38.3 31.0 26.9 28.9 72 72 A d E -DE 63 109B 0 -9,-1.2 -9,-2.4 37,-0.2 2,-0.3 -0.704 45.6-163.0-108.9 156.2 29.6 28.6 32.0 73 73 A Y E -DE 62 108B 5 35,-2.1 35,-2.1 -11,-0.3 2,-0.4 -0.985 9.5-141.6-142.7 138.8 26.6 30.8 32.1 74 74 A Q E -DE 61 107B 56 -13,-2.3 -13,-0.8 -2,-0.3 33,-0.2 -0.884 28.7-107.6-110.6 137.8 25.5 33.3 34.8 75 75 A S - 0 0 2 31,-2.9 4,-0.1 -2,-0.4 -18,-0.1 -0.325 16.5-147.5 -64.5 132.8 21.9 33.8 35.9 76 76 A Y S S+ 0 0 163 2,-0.1 2,-0.2 29,-0.1 -1,-0.2 0.963 85.4 47.6 -59.0 -52.6 20.4 37.1 34.7 77 77 A S S S- 0 0 73 1,-0.1 29,-0.4 27,-0.0 2,-0.1 -0.559 97.5-101.9 -93.5 153.9 18.3 37.2 37.8 78 78 A T - 0 0 56 -2,-0.2 2,-0.3 27,-0.2 27,-0.3 -0.417 43.0-156.4 -61.3 144.9 19.3 36.7 41.4 79 79 A M E - C 0 104A 14 25,-2.3 25,-2.1 -2,-0.1 2,-0.7 -0.922 20.2-107.8-134.5 153.1 18.3 33.2 42.7 80 80 A S E + C 0 103A 15 -2,-0.3 -32,-3.5 -32,-0.3 2,-0.3 -0.735 49.0 165.3 -86.0 115.9 17.6 31.7 46.1 81 81 A I E -BC 47 102A 1 21,-2.6 21,-2.2 -2,-0.7 2,-0.4 -0.787 30.5-146.5-124.7 164.7 20.5 29.3 47.1 82 82 A T E -BC 46 101A 0 -36,-2.0 -36,-1.7 -2,-0.3 2,-0.3 -0.971 14.3-152.7-130.4 118.0 21.8 27.6 50.2 83 83 A D E -BC 45 100A 33 17,-2.8 17,-2.5 -2,-0.4 2,-0.4 -0.701 7.7-161.1 -82.4 138.5 25.5 27.0 50.7 84 84 A a E +BC 44 99A 0 -40,-1.4 -40,-1.6 -2,-0.3 2,-0.4 -0.993 10.5 179.0-115.2 125.3 26.6 24.0 52.8 85 85 A R E -BC 43 98A 108 13,-1.8 13,-3.4 -2,-0.4 -42,-0.2 -0.987 34.3-112.1-118.3 134.5 30.2 23.9 54.2 86 86 A E E - 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