==== 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/HYDROLASE INHIBITOR 31-JUL-95 1NES . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR E.F.MEYER JUNIOR,R.RADHAKRISHNAN,G.M COLE,L.G.PRESTA . 246 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10609.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 34.6 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 . 6 2.4 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.5 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+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 0 0 0 0 1 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 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 . 7 2 2 6 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 0 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 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 16 E V > 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.8 -11.4 33.8 36.0 2 17 E V B 3 +A 182 0A 11 180,-2.4 180,-1.8 1,-0.2 134,-0.1 -0.830 360.0 9.5 -89.3 137.0 -14.9 34.6 34.7 3 18 E G T 3 S+ 0 0 44 132,-0.6 -1,-0.2 -2,-0.4 2,-0.2 0.821 98.6 142.3 68.4 25.1 -16.2 38.2 35.2 4 19 E G < - 0 0 23 -3,-0.5 2,-0.3 131,-0.1 144,-0.2 -0.450 45.2-136.0 -81.4-179.5 -12.7 39.4 36.3 5 20 E T E -B 147 0B 87 142,-2.1 142,-2.6 -2,-0.2 2,-0.1 -0.919 38.4 -88.6-126.7 153.2 -10.8 42.6 35.7 6 21 E E E -B 146 0B 113 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.430 44.1-130.7 -58.2 133.8 -7.0 42.8 34.7 7 22 E A - 0 0 2 138,-3.0 138,-0.1 -2,-0.1 2,-0.1 -0.512 24.2-104.0 -77.3 150.4 -4.8 43.0 37.9 8 23 E Q > - 0 0 137 -2,-0.2 3,-1.4 1,-0.1 4,-0.4 -0.446 39.9-107.1 -65.6 153.1 -2.1 45.7 38.2 9 24 E R T 3 S+ 0 0 125 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.575 115.5 36.2 -59.9 -29.4 1.4 44.1 37.5 10 25 E N T 3 S+ 0 0 82 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.195 88.3 95.3-114.8 18.4 2.5 44.3 41.1 11 26 E S S < S+ 0 0 42 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.909 95.4 24.4 -70.4 -45.9 -0.7 43.5 42.9 12 27 E W > + 0 0 31 -4,-0.4 3,-1.8 1,-0.1 -1,-0.2 -0.671 64.8 166.0-124.9 69.0 -0.3 39.7 43.5 13 28 E P T 3 S+ 0 0 36 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.497 70.7 66.4 -74.8 -4.9 3.4 38.8 43.4 14 29 E S T 3 S+ 0 0 9 95,-0.2 20,-2.4 97,-0.2 2,-0.3 0.472 78.3 109.0 -82.2 -13.5 3.0 35.3 44.9 15 30 E Q E < -I 33 0C 8 -3,-1.8 43,-0.4 18,-0.2 44,-0.4 -0.571 47.0-178.4 -64.5 128.7 1.1 34.2 41.7 16 31 E I E -I 32 0C 0 16,-2.0 16,-0.8 -2,-0.3 2,-0.5 -0.882 25.0-127.6-119.2 164.3 2.9 31.8 39.5 17 32 E S E -IJ 31 56C 0 39,-2.4 39,-2.2 -2,-0.3 2,-0.6 -0.933 16.6-150.9-103.6 124.8 2.0 30.1 36.2 18 33 E L E -IJ 30 55C 0 12,-2.9 11,-2.7 -2,-0.5 12,-1.5 -0.816 25.1-179.4 -92.6 108.9 2.4 26.3 36.0 19 34 E Q E -IJ 28 54C 9 35,-2.8 35,-2.2 -2,-0.6 2,-0.3 -0.887 17.3-153.8-113.4 150.0 3.2 25.3 32.5 20 35 E Y E -IJ 27 53C 38 7,-2.1 7,-2.1 -2,-0.3 2,-0.4 -0.879 32.5 -99.6-120.9 158.1 3.9 22.0 30.7 21 36 E R E -I 26 0C 128 31,-1.5 2,-0.5 -2,-0.3 31,-0.3 -0.710 35.7-174.9 -82.5 128.3 6.0 21.3 27.5 22 36AE S E > -I 25 0C 56 3,-2.3 3,-3.1 -2,-0.4 2,-0.4 -0.994 63.5 -53.0-128.5 88.1 3.8 21.0 24.5 23 36BE G T 3 S- 0 0 66 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.345 121.2 -25.8 78.6-108.0 5.9 20.0 21.5 24 36CE S T 3 S+ 0 0 109 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.128 131.3 74.6-120.5 24.4 8.5 22.5 21.5 25 37 E S E < S-I 22 0C 73 -3,-3.1 -3,-2.3 2,-0.0 2,-0.4 -0.560 73.2-128.0-123.3 174.9 6.4 25.1 23.3 26 38 E W E -I 21 0C 84 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.977 24.0-166.4-123.6 128.7 5.2 25.6 26.9 27 39 E A E -I 20 0C 31 -7,-2.1 -7,-2.1 -2,-0.4 2,-0.1 -0.995 25.8-108.3-112.7 148.5 1.5 26.2 27.6 28 40 E H E +I 19 0C 10 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.326 41.2 160.2 -63.5 135.5 -0.2 27.3 30.8 29 41 E T E - 0 0 5 -11,-2.7 219,-2.3 1,-0.4 157,-0.4 0.623 60.0 -7.0-118.8 -40.7 -2.1 24.6 32.7 30 42 E a E -I 18 0C 0 -12,-1.5 -12,-2.9 217,-0.2 -1,-0.4 -0.945 59.5-115.1-147.9 165.8 -2.6 25.9 36.3 31 43 E G E +I 17 0C 1 157,-2.2 12,-0.3 -2,-0.3 2,-0.3 -0.312 28.7 177.7 -96.1-174.7 -1.8 28.5 38.8 32 44 E G E -I 16 0C 0 -16,-0.8 -16,-2.0 10,-0.1 2,-0.4 -0.950 26.0-116.1-170.9 170.9 0.2 28.1 42.0 33 45 E T E -IK 15 41C 0 8,-2.8 8,-2.7 -2,-0.3 2,-0.5 -0.996 23.2-125.2-124.1 133.6 1.5 30.3 44.9 34 46 E L E + K 0 40C 1 -20,-2.4 78,-3.3 -2,-0.4 6,-0.2 -0.576 35.7 167.5 -68.9 110.4 5.2 30.9 45.6 35 47 E I E + 0 0 2 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.675 67.4 7.1-107.3 -16.6 5.6 29.9 49.3 36 48 E R E > S- K 0 39C 94 3,-1.8 3,-1.3 74,-0.1 -1,-0.4 -0.902 90.6 -93.0-144.4 172.0 9.4 29.7 49.6 37 49 E Q T 3 S+ 0 0 85 -2,-0.3 66,-2.1 1,-0.3 64,-0.1 0.745 128.5 23.5 -62.6 -16.3 12.1 30.7 47.1 38 50 E N T 3 S+ 0 0 27 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.080 111.2 83.6-135.2 23.5 12.2 27.2 45.9 39 51 E W E < -KL 36 98C 4 -3,-1.3 -4,-2.3 59,-0.2 -3,-1.8 -0.997 49.3-172.8-135.5 127.1 8.7 25.9 46.8 40 52 E V E -KL 34 97C 0 57,-2.1 57,-2.7 -2,-0.4 2,-0.4 -0.953 12.3-149.3-113.1 134.1 5.4 26.2 45.0 41 53 E M E +KL 33 96C 0 -8,-2.7 -8,-2.8 -2,-0.4 55,-0.2 -0.914 34.1 141.9-101.5 135.6 2.0 25.2 46.3 42 54 E T E - L 0 95C 0 53,-2.1 53,-1.8 -2,-0.4 2,-0.4 -0.613 51.4 -66.1-153.9-174.9 -0.6 24.1 43.8 43 55 E A >> - 0 0 0 -12,-0.3 3,-1.8 51,-0.3 4,-0.6 -0.869 31.4-133.2 -88.2 139.7 -3.4 21.5 43.4 44 56 E A G >4 S+ 0 0 0 -2,-0.4 3,-1.4 1,-0.3 4,-0.4 0.848 105.9 61.2 -55.1 -41.5 -2.7 17.7 43.2 45 57 E H G 34 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.631 96.5 62.0 -66.4 -13.6 -5.0 17.4 40.2 46 58 E a G <4 S+ 0 0 6 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.751 112.3 35.4 -75.2 -27.1 -2.7 19.8 38.2 47 59 E V S << S+ 0 0 10 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.283 83.6 106.8-119.4 21.5 0.2 17.4 38.5 48 60 E D S S+ 0 0 58 -4,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.463 70.1 74.6 -64.3 -33.8 -1.6 14.1 38.3 49 61 E R S S- 0 0 93 -3,-0.2 2,-1.6 -4,-0.1 -3,-0.0 -0.673 89.7-109.3 -88.6 154.2 -0.3 13.5 34.8 50 62 E E + 0 0 191 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.623 69.2 128.0 -86.8 79.6 3.0 12.5 33.3 51 63 E L - 0 0 76 -2,-1.6 2,-0.4 -4,-0.1 -29,-0.1 -0.831 64.7-105.5-124.8 165.2 4.0 15.8 31.7 52 64 E T - 0 0 67 -31,-0.3 -31,-1.5 -2,-0.3 2,-0.3 -0.838 44.9-157.6 -92.9 128.6 7.2 17.9 31.9 53 65 E F E -J 20 0C 15 -2,-0.4 21,-1.2 -33,-0.2 2,-0.3 -0.867 17.6-179.0-111.7 152.3 6.5 21.0 34.1 54 65AE R E -JM 19 73C 52 -35,-2.2 -35,-2.8 -2,-0.3 2,-0.5 -0.955 18.7-135.5-136.4 151.7 8.0 24.5 34.6 55 66 E V E -JM 18 72C 0 17,-3.0 17,-2.6 -2,-0.3 2,-0.5 -0.949 10.2-161.0-105.6 133.5 7.2 27.5 36.8 56 67 E V E -JM 17 71C 0 -39,-2.2 -39,-2.4 -2,-0.5 3,-0.3 -0.957 9.8-173.1-109.6 114.4 7.1 31.1 35.7 57 68 E V E + M 0 70C 2 13,-1.9 13,-2.1 -2,-0.5 52,-0.1 -0.660 68.5 29.5 -97.1 153.7 7.4 33.8 38.4 58 69 E G S S+ 0 0 6 50,-0.5 2,-0.3 -43,-0.4 10,-0.3 0.836 84.4 153.6 73.8 23.4 6.9 37.5 37.7 59 70 E E + 0 0 16 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.772 16.2 152.3 -93.2 137.7 4.4 36.8 34.9 60 71 E H S S+ 0 0 11 -2,-0.3 85,-1.3 1,-0.3 2,-0.6 0.495 71.8 35.3-121.7 -50.2 1.7 39.3 33.9 61 72 E N B > -O 144 0D 15 3,-0.3 3,-0.9 83,-0.2 -1,-0.3 -0.960 65.6-156.6-107.3 114.6 1.0 38.6 30.1 62 73 E L T 3 S+ 0 0 32 81,-3.6 -1,-0.1 -2,-0.6 82,-0.1 0.788 91.8 41.4 -57.6 -34.6 1.3 35.0 29.1 63 74 E N T 3 S+ 0 0 112 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.252 111.9 49.9 -95.0 -3.3 1.9 35.8 25.4 64 75 E Q S < S- 0 0 123 -3,-0.9 2,-0.5 79,-0.2 -3,-0.3 -0.990 87.6 -98.7-137.8 153.6 4.4 38.8 25.6 65 76 E N - 0 0 122 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.591 27.5-170.4 -78.9 128.0 7.6 39.5 27.4 66 77 E N - 0 0 28 -2,-0.5 -1,-0.2 -5,-0.2 -7,-0.0 0.648 37.2-122.5 -82.4 -25.7 7.0 41.6 30.5 67 78 E G S S+ 0 0 59 2,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.489 100.0 72.7 84.8 5.8 10.7 42.3 31.3 68 79 E T + 0 0 29 -10,-0.3 2,-0.1 40,-0.0 40,-0.1 0.442 63.2 119.9-130.1 -5.9 10.1 40.6 34.7 69 80 E E - 0 0 24 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.410 37.8-165.0 -65.8 147.6 9.8 36.8 34.3 70 81 E Q E -M 57 0C 45 -13,-2.1 -13,-1.9 -2,-0.1 2,-0.5 -0.978 11.7-153.8-128.9 132.4 12.0 34.1 35.9 71 82 E Y E +M 56 0C 112 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.935 19.4 174.0-109.8 123.4 11.6 30.6 34.4 72 83 E V E -M 55 0C 6 -17,-2.6 -17,-3.0 -2,-0.5 -2,-0.0 -0.993 24.8-124.6-137.1 143.3 12.4 27.6 36.6 73 84 E G E -M 54 0C 28 -2,-0.4 27,-2.4 -19,-0.2 2,-0.5 -0.269 25.2-115.3 -78.8 165.8 12.2 23.9 36.3 74 85 E V E +N 99 0C 34 -21,-1.2 25,-0.2 25,-0.2 -21,-0.1 -0.852 28.7 177.7-103.8 118.4 10.4 21.4 38.7 75 86 E Q E + 0 0 117 23,-2.7 2,-0.4 -2,-0.5 24,-0.2 0.781 66.7 12.1 -84.5 -50.0 12.8 19.1 40.5 76 87 E K E -N 98 0C 94 22,-1.4 22,-2.3 2,-0.0 2,-0.5 -0.994 57.6-155.7-139.3 135.5 10.3 17.2 42.8 77 88 E I E -N 97 0C 69 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.973 10.1-172.4-107.7 124.0 6.6 16.9 43.0 78 89 E V E -N 96 0C 28 18,-2.7 18,-2.3 -2,-0.5 2,-0.2 -0.907 6.3-169.8-113.7 106.9 5.1 15.9 46.3 79 90 E V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.507 40.1 -89.4 -87.4 150.5 1.3 15.2 46.2 80 91 E H > - 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