==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (ENDONUCLEASE/INHIBITOR) 29-JUN-96 1DFJ . COMPND 2 MOLECULE: RIBONUCLEASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.KOBE,J.DEISENHOFER . 580 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 434 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 43 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 1 0 1 0 1 2 2 3 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 15 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 0 2 0 1 1 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 2 0 0 0 0 0 0 0 0 0 0 0 0 1 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 E K 0 0 242 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-129.0 14.1 24.2 -11.5 2 2 E E - 0 0 86 1,-0.0 2,-0.2 4,-0.0 0, 0.0 0.920 360.0-138.7 62.4 93.3 12.4 23.6 -8.1 3 3 E T >> - 0 0 70 1,-0.1 4,-2.4 4,-0.0 3,-1.5 -0.529 25.8-110.8 -71.6 146.7 8.9 22.5 -8.8 4 4 E A H 3> S+ 0 0 37 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.748 123.5 58.6 -55.7 -19.2 6.4 24.1 -6.4 5 5 E A H 3> S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.830 107.3 45.9 -77.2 -31.7 6.0 20.6 -4.9 6 6 E A H <> S+ 0 0 21 -3,-1.5 4,-3.0 2,-0.2 5,-0.3 0.923 107.3 56.4 -73.9 -44.4 9.8 20.6 -4.3 7 7 E K H X S+ 0 0 55 -4,-2.4 4,-3.5 1,-0.2 -2,-0.2 0.904 111.2 46.8 -52.7 -43.1 9.7 24.2 -2.7 8 8 E F H X S+ 0 0 6 -4,-1.5 4,-2.7 -5,-0.2 5,-0.3 0.950 109.0 51.3 -63.2 -52.8 7.1 22.7 -0.4 9 9 E E H X S+ 0 0 92 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.893 120.0 38.8 -51.6 -40.2 9.2 19.5 0.4 10 10 E R H < S+ 0 0 63 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.949 118.6 45.2 -76.5 -51.8 12.1 21.8 1.2 11 11 E Q H < S+ 0 0 14 -4,-3.5 -2,-0.2 -5,-0.3 -3,-0.2 0.693 128.7 15.3 -70.1 -22.6 10.3 24.7 2.9 12 12 E H H < S+ 0 0 4 -4,-2.7 35,-2.1 -5,-0.2 2,-0.5 0.396 93.8 98.2-139.2 13.7 8.0 22.7 5.3 13 13 E M B < +a 47 0A 11 -4,-0.9 35,-0.1 -5,-0.3 2,-0.1 -0.883 21.5 157.7-113.7 132.2 8.9 19.0 5.8 14 14 E D + 0 0 12 33,-2.2 3,-0.2 -2,-0.5 32,-0.0 -0.542 3.8 165.2-143.1 77.3 10.8 17.3 8.6 15 15 E S + 0 0 69 1,-0.2 -1,-0.1 -2,-0.1 33,-0.1 0.665 68.0 67.5 -68.9 -13.6 9.9 13.6 8.7 16 16 E S S S+ 0 0 102 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.941 91.8 51.0 -75.3 -55.2 12.9 12.8 11.0 17 17 E T - 0 0 33 -3,-0.2 3,-0.1 1,-0.1 -3,-0.1 -0.700 67.7-154.8 -82.5 144.1 12.2 14.5 14.3 18 18 E S S S+ 0 0 90 1,-0.3 2,-0.3 -2,-0.3 30,-0.2 0.473 82.3 2.5 -93.6 -3.9 8.7 13.6 15.6 19 19 E A S S- 0 0 46 28,-0.1 -1,-0.3 82,-0.0 2,-0.3 -0.927 99.4 -75.4-171.6 156.6 8.7 16.8 17.6 20 20 E A - 0 0 18 61,-0.3 81,-0.1 -2,-0.3 61,-0.0 -0.487 34.2-149.3 -68.4 127.6 11.1 19.7 18.0 21 21 E S - 0 0 106 -2,-0.3 -1,-0.1 2,-0.0 2,-0.1 0.995 67.8 -5.0 -58.6 -67.1 14.2 18.9 20.2 22 22 E S S > S- 0 0 57 1,-0.0 3,-0.7 0, 0.0 4,-0.2 -0.379 71.3 -96.9-120.6-169.2 14.8 22.3 21.7 23 23 E S T 3 S+ 0 0 63 1,-0.2 76,-0.6 -2,-0.1 4,-0.2 0.387 120.6 62.3 -88.8 -0.1 13.9 26.0 21.8 24 24 E N T 3> S+ 0 0 16 1,-0.1 4,-0.6 2,-0.1 -1,-0.2 0.197 73.7 99.8-109.7 14.3 16.9 26.4 19.4 25 25 E Y H X> S+ 0 0 13 -3,-0.7 4,-2.0 2,-0.2 3,-1.3 0.966 77.9 48.8 -63.4 -59.7 15.4 24.2 16.5 26 26 E a H 3> S+ 0 0 0 1,-0.3 4,-2.5 -4,-0.2 5,-0.5 0.906 98.7 65.8 -51.8 -52.0 14.1 26.8 14.2 27 27 E N H 34 S+ 0 0 43 70,-0.3 4,-0.4 1,-0.2 -1,-0.3 0.810 111.6 38.1 -43.5 -33.3 17.2 29.0 14.1 28 28 E Q H XX S+ 0 0 55 -3,-1.3 4,-2.9 -4,-0.6 3,-0.8 0.937 115.0 49.7 -83.7 -55.6 19.0 26.1 12.4 29 29 E M H 3< S+ 0 0 21 -4,-2.0 6,-0.3 1,-0.3 -2,-0.2 0.932 106.6 55.1 -49.9 -51.3 16.3 24.8 10.1 30 30 E M T 3<>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 6,-1.1 0.827 114.4 44.7 -53.8 -28.4 15.5 28.2 8.7 31 31 E K T X45S+ 0 0 69 -3,-0.8 3,-1.5 -5,-0.5 -2,-0.2 0.919 111.3 48.9 -81.7 -48.2 19.1 28.3 7.9 32 32 E S T 3<5S+ 0 0 40 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.063 113.2 48.9 -82.9 24.3 19.5 24.8 6.5 33 33 E R T 3 5S- 0 0 61 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.1 0.090 112.7-114.7-144.7 14.8 16.5 25.3 4.2 34 34 E N T X 5S+ 0 0 84 -3,-1.5 3,-0.9 1,-0.1 4,-0.3 0.676 76.0 130.0 54.6 29.4 17.6 28.7 2.8 35 35 E L T 3 > S+ 0 0 53 1,-0.2 4,-2.7 2,-0.2 3,-0.9 0.842 115.2 48.5 -58.9 -41.4 5.4 12.5 3.6 52 52 E A H 3> S+ 0 0 69 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.788 105.5 58.1 -70.4 -29.4 2.7 10.1 2.4 53 53 E D H 34 S+ 0 0 88 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.576 116.3 38.6 -73.3 -9.7 0.8 10.7 5.6 54 54 E V H X4 S+ 0 0 0 -3,-0.9 3,-1.5 -4,-0.3 -2,-0.2 0.730 107.7 57.6-106.7 -37.9 0.9 14.4 4.4 55 55 E Q H >< S+ 0 0 69 -4,-2.7 3,-0.8 1,-0.3 -3,-0.2 0.674 96.9 69.8 -68.5 -14.7 0.4 13.9 0.6 56 56 E A G >< S+ 0 0 43 -4,-0.8 3,-1.0 1,-0.2 -1,-0.3 0.529 76.0 80.0 -81.3 -5.7 -2.9 12.2 1.5 57 57 E V G X S+ 0 0 0 -3,-1.5 3,-1.7 1,-0.2 -1,-0.2 0.764 78.1 73.6 -73.4 -19.1 -4.5 15.5 2.7 58 58 E c G < S+ 0 0 2 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.624 99.0 42.1 -69.0 -17.8 -5.2 16.3 -0.9 59 59 E S G < S+ 0 0 106 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.1 -0.004 108.7 81.3-115.0 22.6 -8.0 13.8 -1.2 60 60 E Q S < S- 0 0 49 -3,-1.7 15,-0.1 1,-0.2 -3,-0.1 -0.082 94.1 -14.4-105.8-154.3 -9.3 14.7 2.2 61 61 E K E -D 74 0B 110 13,-0.7 13,-2.2 12,-0.1 2,-0.5 -0.272 63.4-140.4 -53.2 120.6 -11.5 17.6 3.5 62 62 E N E +D 73 0B 84 11,-0.3 2,-0.3 -3,-0.1 11,-0.2 -0.759 31.3 166.9 -88.1 124.8 -11.9 20.4 0.9 63 63 E V E -D 72 0B 42 9,-2.8 9,-1.5 -2,-0.5 2,-0.4 -0.928 38.8-105.7-133.8 158.4 -11.8 23.9 2.5 64 64 E A - 0 0 54 -2,-0.3 6,-0.2 7,-0.1 7,-0.0 -0.711 39.5-124.2 -86.2 136.3 -11.4 27.4 1.2 65 65 E d > - 0 0 9 4,-2.7 3,-2.1 -2,-0.4 -1,-0.1 -0.126 32.2 -92.1 -70.3 176.9 -8.0 29.0 1.9 66 66 E K T 3 S+ 0 0 138 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.746 127.4 52.5 -64.9 -21.9 -7.4 32.3 3.7 67 67 E N T 3 S- 0 0 22 2,-0.1 -1,-0.3 463,-0.1 3,-0.1 0.208 120.7-104.2-100.9 16.6 -7.4 34.0 0.4 68 68 E G S < S+ 0 0 59 -3,-2.1 2,-0.2 1,-0.3 -2,-0.1 0.511 75.3 133.8 80.2 1.6 -10.8 32.6 -0.8 69 69 E Q - 0 0 38 1,-0.1 -4,-2.7 2,-0.0 3,-0.3 -0.620 52.5-136.3 -84.2 152.0 -9.5 30.0 -3.3 70 70 E T S S+ 0 0 99 -2,-0.2 -7,-0.1 -6,-0.2 2,-0.1 0.469 77.8 86.8 -92.6 -0.6 -11.1 26.6 -3.1 71 71 E N + 0 0 30 -9,-0.1 39,-2.1 2,-0.0 2,-0.7 -0.006 55.5 115.4 -93.9 37.5 -8.2 24.1 -3.4 72 72 E d E -DE 63 109B 0 -9,-1.5 -9,-2.8 -3,-0.3 2,-0.5 -0.858 45.5-164.9-110.9 106.1 -7.2 23.8 0.2 73 73 E Y E -DE 62 108B 40 35,-0.9 35,-1.6 -2,-0.7 2,-0.4 -0.738 8.1-150.8 -89.0 126.5 -7.7 20.4 1.8 74 74 E Q E -DE 61 107B 34 -13,-2.2 -13,-0.7 -2,-0.5 33,-0.2 -0.856 15.5-125.3-100.0 136.0 -7.5 20.3 5.6 75 75 E S - 0 0 1 31,-1.5 4,-0.1 -2,-0.4 31,-0.1 -0.437 2.8-144.7 -79.3 151.5 -6.3 17.1 7.3 76 76 E Y S S+ 0 0 142 -2,-0.1 2,-0.1 29,-0.1 -1,-0.1 0.907 76.3 79.5 -79.2 -46.4 -8.3 15.2 10.0 77 77 E S S S- 0 0 77 1,-0.1 2,-0.7 29,-0.1 29,-0.4 -0.416 85.2-120.9 -68.1 136.0 -5.4 14.1 12.2 78 78 E T - 0 0 80 27,-0.1 27,-0.3 -2,-0.1 2,-0.3 -0.711 41.3-156.1 -76.1 113.7 -3.8 16.5 14.6 79 79 E M E - C 0 104A 5 25,-3.0 25,-2.3 -2,-0.7 2,-0.6 -0.698 20.7-104.5 -95.9 153.7 -0.3 16.3 13.2 80 80 E S E + C 0 103A 7 -2,-0.3 -32,-3.6 23,-0.2 23,-0.2 -0.693 55.4 164.5 -79.7 115.7 2.9 17.1 15.1 81 81 E I E -BC 47 102A 0 21,-3.0 21,-1.7 -2,-0.6 2,-0.3 -0.622 30.1-143.0-124.5 178.7 4.0 20.6 13.9 82 82 E T E -BC 46 101A 0 -36,-1.2 -36,-2.2 19,-0.2 2,-0.7 -0.921 9.4-146.9-151.2 122.0 6.4 23.4 14.8 83 83 E D E -BC 45 100A 19 17,-2.5 17,-1.3 -2,-0.3 2,-0.5 -0.825 11.5-164.0 -93.3 113.6 5.8 27.2 14.4 84 84 E a E +BC 44 99A 0 -40,-3.0 -40,-1.9 -2,-0.7 2,-0.4 -0.879 14.4 178.5 -97.4 130.2 9.0 29.1 13.7 85 85 E R E -BC 43 98A 112 13,-1.2 13,-2.5 -2,-0.5 -42,-0.2 -0.971 30.9-113.3-141.8 118.4 8.5 32.8 14.3 86 86 E E E - C 0 97A 28 -44,-1.7 11,-0.3 -2,-0.4 2,-0.2 -0.092 33.9-133.6 -44.5 144.0 11.0 35.6 13.9 87 87 E T > - 0 0 31 9,-2.2 3,-1.5 1,-0.1 9,-0.2 -0.633 25.3-102.5 -99.2 165.2 11.9 37.4 17.2 88 88 E G T 3 S+ 0 0 11 1,-0.3 324,-0.1 -2,-0.2 295,-0.1 0.767 119.9 60.4 -57.3 -26.3 12.1 41.1 17.9 89 89 E S T 3 S+ 0 0 28 1,-0.1 2,-0.9 293,-0.0 -1,-0.3 0.000 73.1 114.7 -93.3 32.5 15.9 40.8 17.7 90 90 E S < + 0 0 1 -3,-1.5 2,-1.1 6,-0.1 5,-0.1 -0.549 31.1 161.4-103.4 66.1 15.9 39.6 14.1 91 91 E K > - 0 0 76 -2,-0.9 3,-2.5 4,-0.1 4,-0.1 -0.743 50.3 -94.3 -91.2 99.9 17.6 42.3 12.0 92 92 E Y T 3 S+ 0 0 95 -2,-1.1 3,-0.1 1,-0.4 -2,-0.0 -0.251 116.9 36.0 -52.2 139.6 18.6 40.6 8.8 93 93 E P T 3 S+ 0 0 95 0, 0.0 2,-1.1 0, 0.0 -1,-0.4 -0.970 120.1 63.5 -57.7 -16.4 21.3 39.4 8.1 94 94 E N S < S- 0 0 115 -3,-2.5 2,-0.4 -54,-0.0 -54,-0.1 -0.737 76.7-177.7 -83.3 102.2 20.9 38.6 11.8 95 95 E b + 0 0 33 -2,-1.1 2,-0.3 -5,-0.1 -5,-0.1 -0.859 5.5 179.0-104.0 140.2 17.9 36.3 11.8 96 96 E A - 0 0 22 -2,-0.4 -9,-2.2 -9,-0.2 2,-0.3 -0.997 6.2-163.3-143.5 143.3 16.3 34.8 15.0 97 97 E Y E -C 86 0A 8 -2,-0.3 2,-0.6 -11,-0.3 -70,-0.3 -0.917 17.4-138.8-131.9 150.3 13.3 32.6 15.8 98 98 E K E -C 85 0A 144 -13,-2.5 -13,-1.2 -2,-0.3 2,-0.5 -0.928 27.6-143.1-104.5 122.5 11.0 31.5 18.7 99 99 E T E +C 84 0A 23 -2,-0.6 2,-0.4 -76,-0.6 -15,-0.2 -0.771 22.1 175.3 -93.6 129.6 10.2 27.9 18.6 100 100 E T E -C 83 0A 56 -17,-1.3 -17,-2.5 -2,-0.5 2,-0.3 -0.998 14.1-156.6-131.4 122.3 6.9 26.6 19.6 101 101 E Q E +C 82 0A 61 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.709 25.4 153.4 -94.9 154.8 6.0 23.0 19.2 102 102 E A E -C 81 0A 28 -21,-1.7 -21,-3.0 -2,-0.3 2,-0.5 -0.932 41.7-124.6-175.2 155.2 2.3 21.9 18.9 103 103 E N E +C 80 0A 96 -2,-0.3 2,-0.3 -23,-0.2 -23,-0.2 -0.962 49.3 143.5-111.3 117.5 -0.0 19.2 17.6 104 104 E K E -C 79 0A 87 -25,-2.3 -25,-3.0 -2,-0.5 2,-0.2 -0.920 54.9 -89.6-149.4 168.8 -2.7 20.7 15.3 105 105 E H - 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