==== 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 24-OCT-94 1ELE . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.MATTOS,G.A.PETSKO,D.RINGE . 241 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10654.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 34.9 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 2.5 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 . 21 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 3.7 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 1 0 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 . 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 0 PARALLEL BRIDGES PER LADDER . 6 2 2 5 2 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 1 0, 0.0 3,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.4 40.7 33.6 36.0 2 17 E V B 3 +A 182 0A 12 180,-2.0 180,-1.8 1,-0.2 134,-0.2 -0.744 360.0 12.4 -85.7 143.9 37.2 34.2 34.6 3 18 E G T 3 S+ 0 0 40 132,-0.6 -1,-0.2 -2,-0.3 2,-0.1 0.775 101.0 133.6 60.3 27.3 35.8 37.8 35.3 4 19 E G < - 0 0 22 -3,-0.5 2,-0.3 131,-0.1 144,-0.2 -0.367 48.3-137.6 -97.6-179.4 39.3 39.0 36.4 5 20 E T E -B 147 0B 87 142,-2.4 142,-2.4 -2,-0.1 2,-0.1 -0.898 35.7 -85.4-129.8 161.3 41.3 42.1 35.6 6 21 E E E -B 146 0B 109 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.427 43.6-128.7 -69.7 147.9 45.1 42.4 34.8 7 22 E A - 0 0 5 138,-2.6 138,-0.1 53,-0.1 -1,-0.1 -0.634 21.6-101.3 -93.7 151.8 47.5 42.7 37.6 8 23 E Q > - 0 0 142 -2,-0.2 3,-1.2 1,-0.1 4,-0.4 -0.316 42.1-107.3 -62.5 156.8 50.3 45.3 38.2 9 24 E R T 3 S+ 0 0 117 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.847 114.3 26.8 -60.0 -43.6 53.7 44.0 37.4 10 25 E N T 3 S+ 0 0 88 1,-0.2 -1,-0.3 99,-0.0 -2,-0.1 0.122 92.1 110.9-107.5 20.2 55.2 43.6 40.9 11 26 E S S < S+ 0 0 44 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.883 88.3 17.2 -68.2 -41.5 51.8 43.1 42.5 12 27 E W S > S+ 0 0 29 -4,-0.4 3,-1.9 -3,-0.2 -1,-0.3 -0.674 70.9 172.7-134.0 74.9 52.0 39.4 43.5 13 28 E P T 3 S+ 0 0 36 0, 0.0 97,-2.1 0, 0.0 45,-0.2 0.413 71.2 63.2 -80.7 3.8 55.7 38.6 43.3 14 29 E S T 3 S+ 0 0 9 95,-0.2 20,-2.1 97,-0.1 2,-0.2 0.354 78.0 109.9-102.1 4.1 55.5 35.1 44.8 15 30 E Q E < -I 33 0C 7 -3,-1.9 43,-0.6 18,-0.2 44,-0.3 -0.579 50.3-173.3 -70.9 134.7 53.3 33.9 41.9 16 31 E I E -IJ 32 57C 0 16,-1.9 16,-0.7 -2,-0.2 2,-0.6 -0.884 23.1-125.9-125.8 166.6 55.2 31.5 39.6 17 32 E S E -IJ 31 56C 0 39,-2.3 39,-2.5 -2,-0.3 2,-0.7 -0.973 16.2-154.3-114.4 123.0 54.5 29.8 36.3 18 33 E L E +IJ 30 55C 0 12,-3.2 11,-3.2 -2,-0.6 12,-2.1 -0.908 24.6 178.3 -98.4 113.9 54.8 26.1 36.2 19 34 E Q E -IJ 28 54C 9 35,-2.3 35,-2.0 -2,-0.7 2,-0.3 -0.884 16.5-157.1-119.0 146.6 55.6 25.0 32.6 20 35 E Y E -IJ 27 53C 65 7,-2.5 7,-2.6 -2,-0.3 2,-0.3 -0.794 32.3 -89.0-118.3 168.2 56.3 21.8 30.9 21 36 E R E +I 26 0C 120 31,-1.7 2,-0.4 -2,-0.3 5,-0.2 -0.550 33.1 176.2 -88.5 132.5 58.2 21.0 27.7 22 37 E S E > -I 25 0C 49 3,-3.2 3,-1.6 -2,-0.3 2,-0.3 -0.951 70.0 -53.4-123.0 104.1 56.6 20.9 24.3 23 38 E G T 3 S- 0 0 71 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.508 117.9 -29.3 66.9-121.8 59.2 20.2 21.6 24 39 E S T 3 S+ 0 0 113 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.564 132.2 78.5 -95.8 -20.3 61.9 22.8 22.1 25 40 E S E < S-I 22 0C 74 -3,-1.6 -3,-3.2 -4,-0.0 2,-0.4 -0.323 74.3-129.1 -86.4 172.1 59.3 25.2 23.5 26 41 E W E -I 21 0C 66 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.977 13.0-158.0-129.0 130.1 57.6 25.4 26.9 27 42 E A E -I 20 0C 32 -7,-2.6 -7,-2.5 -2,-0.4 2,-0.2 -0.900 23.2-117.8-112.4 137.4 53.9 25.6 27.8 28 43 E H E +I 19 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.467 37.0 165.0 -67.2 126.3 52.4 27.0 31.0 29 44 E T E - 0 0 39 -11,-3.2 2,-0.3 1,-0.3 157,-0.2 0.701 57.0 -9.6-109.2 -29.3 50.5 24.3 32.8 30 45 E a E -I 18 0C 5 -12,-2.1 -12,-3.2 157,-0.1 -1,-0.3 -0.940 57.8-111.9-158.8 170.0 49.9 25.7 36.3 31 46 E G E +I 17 0C 2 157,-1.9 12,-0.4 -2,-0.3 2,-0.3 -0.441 30.3 173.8 -99.1-174.0 50.6 28.3 38.9 32 47 E G E -I 16 0C 0 -16,-0.7 -16,-1.9 -2,-0.2 2,-0.4 -0.946 29.4-113.3-179.1 167.8 52.5 27.9 42.2 33 48 E T E -IK 15 41C 0 8,-2.2 8,-2.9 -2,-0.3 2,-0.5 -0.996 25.1-127.0-120.9 123.2 53.8 30.1 45.1 34 49 E L E + K 0 40C 1 -20,-2.1 78,-2.8 -2,-0.4 6,-0.3 -0.573 36.4 168.0 -60.6 113.7 57.5 30.5 45.7 35 50 E I E + 0 0 4 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.722 66.9 14.0-103.6 -28.6 57.9 29.5 49.5 36 51 E R E > S- K 0 39C 87 3,-1.9 3,-1.5 75,-0.0 -1,-0.3 -0.886 90.9-100.8-134.7 165.3 61.7 29.2 49.8 37 52 E Q T 3 S+ 0 0 82 1,-0.3 66,-2.7 -2,-0.3 64,-0.1 0.707 128.4 30.2 -68.0 -10.9 64.3 30.5 47.3 38 53 E N T 3 S+ 0 0 34 64,-0.2 61,-2.5 62,-0.1 2,-0.4 0.103 113.7 75.3-128.0 21.1 64.6 26.9 46.1 39 54 E W E < -KL 36 98C 2 -3,-1.5 -4,-2.5 59,-0.2 -3,-1.9 -0.995 50.5-171.4-142.2 138.0 61.0 25.7 46.9 40 55 E V E -KL 34 97C 0 57,-1.9 57,-2.3 -2,-0.4 2,-0.5 -0.967 15.4-144.7-124.1 134.7 57.6 26.1 45.3 41 56 E M E +KL 33 96C 0 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.2 -0.870 36.9 148.0 -92.2 131.6 54.3 25.1 46.6 42 57 E T E - L 0 95C 0 53,-2.5 53,-2.6 -2,-0.5 2,-0.2 -0.829 51.3 -74.1-147.6-178.1 51.9 23.9 43.8 43 58 E A > - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.3 -0.606 32.1-133.3 -85.7 148.5 49.0 21.4 43.5 44 59 E A G > S+ 0 0 0 -2,-0.2 3,-1.9 1,-0.2 -1,-0.1 0.902 104.4 64.5 -65.9 -34.6 49.9 17.7 43.3 45 60 E H G > S+ 0 0 33 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.700 92.9 66.4 -64.9 -14.8 47.5 17.2 40.3 46 61 E a G < S+ 0 0 10 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.647 106.3 38.5 -75.0 -23.3 49.9 19.5 38.3 47 62 E V G < S+ 0 0 16 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 -0.169 81.6 109.2-121.0 35.1 52.8 17.1 38.4 48 63 E D < + 0 0 56 -3,-0.8 2,-0.2 2,-0.1 -2,-0.1 0.871 68.7 65.8 -79.2 -33.6 50.8 13.9 38.0 49 64 E R S S- 0 0 177 -4,-0.2 2,-2.0 -3,-0.1 0, 0.0 -0.625 96.0-113.7 -87.6 149.9 52.2 13.3 34.4 50 65 E E + 0 0 178 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.446 62.3 147.7 -84.4 72.5 55.9 12.6 34.1 51 66 E L - 0 0 54 -2,-2.0 2,-0.7 1,-0.0 -31,-0.0 -0.468 57.6-102.9-102.2 163.8 56.8 15.8 32.2 52 67 E T - 0 0 87 -31,-0.2 -31,-1.7 -2,-0.2 2,-0.3 -0.830 50.0-168.6 -86.8 118.6 59.8 17.9 32.1 53 68 E F E -J 20 0C 12 -2,-0.7 21,-1.1 -33,-0.2 2,-0.3 -0.747 15.4-178.1-111.6 158.8 58.9 21.0 34.2 54 69 E R E -JM 19 73C 51 -35,-2.0 -35,-2.3 -2,-0.3 2,-0.4 -0.949 19.3-131.4-144.8 162.5 60.4 24.3 34.8 55 70 E V E -JM 18 72C 0 17,-2.6 17,-2.7 -2,-0.3 2,-0.5 -0.968 10.8-162.3-120.0 138.1 59.6 27.2 37.0 56 71 E V E -JM 17 71C 0 -39,-2.5 -39,-2.3 -2,-0.4 2,-0.3 -0.983 10.1-174.0-121.3 120.7 59.5 30.8 35.9 57 72 E V E +JM 16 70C 2 13,-2.6 13,-2.4 -2,-0.5 -41,-0.1 -0.836 67.9 33.1-110.5 148.0 59.6 33.6 38.6 58 73 E G S S+ 0 0 9 -43,-0.6 10,-0.3 50,-0.4 2,-0.2 0.701 85.9 152.1 80.8 17.0 59.1 37.3 37.9 59 74 E E + 0 0 15 -44,-0.3 -1,-0.3 -3,-0.3 3,-0.1 -0.608 16.1 147.6 -87.0 142.7 56.7 36.5 35.1 60 75 E H S S+ 0 0 6 1,-0.3 85,-1.4 -2,-0.2 2,-0.6 0.471 70.3 36.9-134.0 -55.2 53.9 38.8 34.0 61 76 E N B > -O 144 0D 10 3,-0.4 3,-1.1 83,-0.2 -1,-0.3 -0.952 65.9-159.8-107.7 113.3 53.3 38.5 30.2 62 77 E L T 3 S+ 0 0 37 81,-2.9 -1,-0.1 -2,-0.6 82,-0.1 0.785 88.9 46.6 -58.3 -35.1 53.7 34.8 29.2 63 78 E N T 3 S+ 0 0 121 80,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.210 112.2 48.8 -95.3 13.7 54.3 35.6 25.5 64 79 E Q S < S- 0 0 121 -3,-1.1 -3,-0.4 79,-0.2 -4,-0.2 -0.951 85.6-105.2-158.2 131.1 56.8 38.5 25.8 65 80 E N - 0 0 123 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.319 25.8-170.0 -60.3 130.7 60.1 39.1 27.8 66 81 E N - 0 0 25 -8,-0.1 -1,-0.2 -5,-0.1 -4,-0.0 0.663 39.8-118.1 -94.4 -18.2 59.4 41.4 30.6 67 82 E G S S+ 0 0 64 2,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.112 103.4 76.4 93.4 -11.9 63.1 42.0 31.5 68 83 E T + 0 0 24 -10,-0.3 2,-0.1 2,-0.0 -9,-0.1 0.377 62.4 119.1-106.3 -5.9 62.3 40.4 35.0 69 84 E E - 0 0 24 -13,-0.1 2,-0.4 -11,-0.0 -11,-0.2 -0.414 36.3-170.5 -81.0 138.8 62.1 36.6 34.4 70 85 E Q E -M 57 0C 45 -13,-2.4 -13,-2.6 -2,-0.1 2,-0.5 -0.988 9.4-160.7-119.4 142.1 64.2 33.9 36.0 71 86 E Y E +M 56 0C 111 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.972 15.3 171.5-120.8 118.1 63.9 30.4 34.7 72 87 E V E -M 55 0C 7 -17,-2.7 -17,-2.6 -2,-0.5 2,-0.1 -0.977 30.2-114.8-135.7 146.9 65.0 27.4 36.8 73 88 E G E -M 54 0C 33 -2,-0.3 27,-2.9 -19,-0.2 2,-0.7 -0.301 29.3-114.6 -74.0 157.6 64.7 23.6 36.5 74 89 E V E -N 99 0C 31 -21,-1.1 25,-0.3 25,-0.2 -21,-0.2 -0.859 30.7-177.1 -92.3 113.7 62.7 21.5 38.9 75 90 E Q E + 0 0 114 23,-2.6 2,-0.3 -2,-0.7 24,-0.2 0.817 64.0 5.2 -81.9 -33.7 65.1 19.2 40.7 76 91 E K E -N 98 0C 99 22,-1.6 22,-2.9 2,-0.0 2,-0.5 -0.978 56.5-152.4-154.2 134.5 62.7 17.2 42.9 77 92 E I E -N 97 0C 66 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.944 10.7-174.6-108.9 129.4 58.9 16.8 43.3 78 93 E V E -N 96 0C 32 18,-2.7 18,-2.8 -2,-0.5 2,-0.3 -0.958 12.2-173.7-119.7 104.9 57.6 15.7 46.8 79 94 E V E -N 95 0C 52 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.688 39.7 -81.4 -98.8 160.1 53.9 15.3 46.5 80 95 E H > - 0 0 17 14,-1.9 3,-2.6 12,-0.3 14,-0.1 -0.467 35.4-132.7 -58.5 124.7 51.7 14.5 49.5 81 96 E P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.677 105.1 50.6 -55.9 -23.0 51.8 10.8 50.4 82 97 E Y T 3 S+ 0 0 164 10,-0.1 2,-0.2 2,-0.0 11,-0.1 0.361 81.7 120.2 -95.0 3.4 48.0 10.6 50.6 83 98 E W < - 0 0 27 -3,-2.6 2,-0.5 9,-0.2 9,-0.1 -0.510 43.4-165.8 -70.4 136.7 47.3 12.3 47.3 84 99 E N > - 0 0 75 7,-0.5 3,-2.6 3,-0.4 6,-0.2 -0.917 16.0-155.0-129.7 110.7 45.3 10.2 44.9 85 100 E T T 3 S+ 0 0 80 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.801 95.8 57.5 -39.0 -45.3 45.0 11.2 41.2 86 101 E D T 3 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.415 113.7 39.5 -71.0 -2.7 41.7 9.4 40.8 87 102 E D X + 0 0 76 -3,-2.6 3,-1.4 4,-0.1 -3,-0.4 -0.516 49.6 164.4-154.2 75.9 40.1 11.5 43.6 88 103 E V G > S+ 0 0 16 -3,-0.4 3,-2.1 1,-0.2 5,-0.2 0.835 80.9 69.0 -54.5 -35.5 40.8 15.3 44.0 89 104 E A G 3 S+ 0 0 14 1,-0.3 -1,-0.2 3,-0.1 3,-0.1 0.591 85.1 67.5 -67.9 -9.3 37.8 15.4 46.3 90 105 E A G < S- 0 0 39 -3,-1.4 -1,-0.3 1,-0.3 2,-0.2 0.715 103.4-140.8 -74.2 -21.3 39.6 13.4 48.9 91 106 E G < + 0 0 2 -3,-2.1 -7,-0.5 -4,-0.3 -1,-0.3 -0.687 66.4 117.2 97.1-154.8 41.9 16.4 49.3 92 107 E Y + 0 0 74 -2,-0.2 2,-2.2 1,-0.2 -12,-0.3 0.623 36.7 157.1 63.6 16.3 45.8 16.4 49.8 93 108 E D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.489 30.4 111.2 -78.5 81.1 46.2 18.2 46.5 94 109 E I + 0 0 0 -2,-2.2 -14,-1.9 -51,-0.3 2,-0.3 -0.988 37.6 178.0-155.0 141.0 49.6 19.7 47.3 95 110 E A E -LN 42 79C 0 -53,-2.6 -53,-2.5 -2,-0.3 2,-0.4 -0.985 17.0-145.2-144.1 150.3 53.1 19.3 46.1 96 111 E L E -LN 41 78C 0 -18,-2.8 -18,-2.7 -2,-0.3 2,-0.5 -0.965 13.4-156.7-118.7 136.1 56.5 20.8 46.8 97 112 E L E -LN 40 77C 0 -57,-2.3 -57,-1.9 -2,-0.4 2,-0.6 -0.943 8.2-147.1-121.1 124.0 59.1 21.3 44.1 98 113 E R E -LN 39 76C 51 -22,-2.9 -23,-2.6 -2,-0.5 -22,-1.6 -0.820 24.6-137.4 -80.7 122.0 62.8 21.6 44.9 99 114 E L E - 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