==== 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 1ELD . 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) . 10634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 63.9 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 . 81 33.6 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 2.5 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 . 17 7.1 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 . 11 4.6 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 . 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 . 5 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 1 0, 0.0 3,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 125.5 40.6 33.5 36.0 2 17 E V B 3 +A 182 0A 9 180,-2.3 180,-1.8 1,-0.2 134,-0.2 -0.765 360.0 12.3 -93.5 138.4 37.0 34.3 34.7 3 18 E G T 3 S+ 0 0 44 132,-0.6 -1,-0.2 -2,-0.3 178,-0.1 0.797 98.5 142.3 66.9 27.6 35.8 37.9 35.4 4 19 E G < - 0 0 24 -3,-0.5 2,-0.3 131,-0.1 144,-0.2 -0.191 45.2-136.0 -90.5 179.2 39.3 39.1 36.5 5 20 E T E -B 147 0B 91 142,-2.3 142,-2.5 -2,-0.0 2,-0.2 -0.917 39.4 -89.8-127.7 157.5 41.2 42.4 35.9 6 21 E E E -B 146 0B 112 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.527 44.6-128.2 -70.7 134.8 44.8 42.6 34.9 7 22 E A - 0 0 1 138,-2.8 138,-0.1 -2,-0.2 -1,-0.1 -0.595 21.8-106.6 -81.3 144.9 47.2 42.6 37.9 8 23 E Q > - 0 0 137 -2,-0.2 3,-1.2 1,-0.1 4,-0.4 -0.349 37.5-106.4 -63.8 155.7 49.9 45.3 38.4 9 24 E R T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.682 113.4 29.5 -61.5 -23.6 53.4 44.0 37.8 10 25 E N T 3 S+ 0 0 93 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.232 90.2 98.9-124.2 13.9 54.6 43.9 41.4 11 26 E S S < S+ 0 0 46 -3,-1.2 -2,-0.1 1,-0.2 -1,-0.1 0.852 94.9 24.6 -72.3 -35.4 51.3 43.2 43.3 12 27 E W > + 0 0 26 -4,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.593 68.5 166.5-133.8 69.2 51.7 39.5 43.8 13 28 E P T 3 S+ 0 0 34 0, 0.0 97,-1.8 0, 0.0 45,-0.3 0.481 70.4 63.3 -74.3 -5.6 55.4 38.7 43.6 14 29 E S T 3 S+ 0 0 9 95,-0.2 20,-2.4 97,-0.1 98,-0.2 0.524 78.0 111.4 -90.4 -8.5 55.3 35.1 45.0 15 30 E Q E < -I 33 0C 7 -3,-1.6 43,-0.4 18,-0.2 44,-0.4 -0.431 47.0-177.3 -62.9 129.3 53.2 34.0 42.0 16 31 E I E -I 32 0C 1 16,-1.9 16,-0.8 -2,-0.2 2,-0.5 -0.883 24.6-129.4-124.1 162.2 55.0 31.6 39.7 17 32 E S E -IJ 31 56C 0 39,-2.0 39,-2.3 -2,-0.3 2,-0.6 -0.968 16.7-151.2-107.3 123.9 54.2 30.0 36.4 18 33 E L E -IJ 30 55C 0 12,-2.7 11,-2.8 -2,-0.5 12,-1.7 -0.870 24.6-179.3 -94.9 121.5 54.7 26.2 36.2 19 34 E Q E -IJ 28 54C 10 35,-2.6 35,-2.4 -2,-0.6 2,-0.3 -0.904 18.0-150.2-125.9 149.9 55.5 25.2 32.6 20 35 E Y E -IJ 27 53C 63 7,-2.4 7,-2.8 -2,-0.3 2,-0.3 -0.892 29.3-105.6-121.0 151.8 56.3 21.9 30.8 21 36 E R E +I 26 0C 133 31,-1.9 2,-0.4 -2,-0.3 31,-0.3 -0.568 37.1 178.1 -72.8 126.2 58.4 21.4 27.8 22 37 E S E > -I 25 0C 49 3,-2.2 3,-0.8 -2,-0.3 2,-0.3 -0.951 64.6 -43.1-132.5 117.1 56.3 20.7 24.6 23 38 E G T 3 S- 0 0 74 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.512 121.5 -31.0 66.2-121.4 58.3 20.2 21.4 24 39 E S T 3 S+ 0 0 114 -2,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.785 129.7 65.5 -93.2 -31.9 61.0 23.0 21.6 25 40 E S E < S-I 22 0C 76 -3,-0.8 -3,-2.2 -4,-0.1 2,-0.4 0.007 78.7-119.8 -81.6-172.7 59.0 25.5 23.5 26 41 E W E -I 21 0C 65 -5,-0.3 2,-0.4 27,-0.0 -5,-0.2 -0.990 22.1-154.1-128.7 136.1 57.5 25.6 27.0 27 42 E A E -I 20 0C 30 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.2 -0.950 19.5-116.9-120.9 135.5 53.8 25.9 27.8 28 43 E H E +I 19 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.416 40.2 159.3 -60.3 129.6 52.1 27.2 31.0 29 44 E T E + 0 0 27 -11,-2.8 2,-0.3 1,-0.4 157,-0.2 0.687 57.8 0.1-122.0 -34.6 50.1 24.6 32.8 30 45 E a E -I 18 0C 5 -12,-1.7 -12,-2.7 157,-0.1 -1,-0.4 -0.921 60.1-119.7-149.0 164.4 49.6 25.7 36.4 31 46 E G E +I 17 0C 0 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.342 30.4 175.4 -91.6-172.6 50.3 28.4 38.9 32 47 E G E -I 16 0C 0 -16,-0.8 -16,-1.9 10,-0.1 2,-0.4 -0.951 27.3-114.0-173.0-178.8 52.3 28.1 42.2 33 48 E T E -IK 15 41C 1 8,-2.1 8,-2.9 -2,-0.3 2,-0.5 -0.998 22.7-127.7-134.1 132.4 53.7 30.1 45.1 34 49 E L E + K 0 40C 0 -20,-2.4 78,-2.4 -2,-0.4 6,-0.2 -0.667 34.3 168.5 -74.5 121.0 57.4 30.6 45.8 35 50 E I E + 0 0 3 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.605 67.5 11.1-114.8 -15.5 57.8 29.7 49.5 36 51 E R E > S- K 0 39C 90 3,-1.7 3,-1.4 74,-0.1 -1,-0.4 -0.927 89.7 -98.4-143.6 167.0 61.6 29.5 49.8 37 52 E Q T 3 S+ 0 0 85 -2,-0.3 66,-2.0 1,-0.3 64,-0.1 0.800 128.0 28.5 -60.2 -27.9 64.2 30.7 47.3 38 53 E N T 3 S+ 0 0 52 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.133 112.3 75.3-118.7 21.9 64.5 27.1 46.2 39 54 E W E < -KL 36 98C 2 -3,-1.4 -4,-2.6 59,-0.2 -3,-1.7 -0.997 52.1-168.8-136.4 135.4 61.0 25.7 47.0 40 55 E V E -KL 34 97C 0 57,-2.4 57,-2.6 -2,-0.4 2,-0.4 -0.964 12.7-146.3-118.2 136.8 57.6 26.2 45.2 41 56 E M E +KL 33 96C 0 -8,-2.9 -8,-2.1 -2,-0.4 55,-0.2 -0.868 35.5 144.6 -95.9 133.1 54.2 25.2 46.6 42 57 E T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.4 2,-0.4 -0.788 51.7 -68.6-149.4-171.9 51.6 24.0 43.9 43 58 E A >> - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.5 -0.735 34.4-134.2 -89.1 137.2 48.7 21.5 43.4 44 59 E A G >4 S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.910 103.8 61.6 -57.0 -36.3 49.6 17.8 43.3 45 60 E H G >4 S+ 0 0 30 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.742 92.7 66.1 -66.8 -17.3 47.3 17.2 40.2 46 61 E a G <4 S+ 0 0 2 -3,-1.2 -1,-0.3 1,-0.2 3,-0.2 0.740 107.5 40.5 -69.7 -26.8 49.5 19.7 38.1 47 62 E V G << S+ 0 0 16 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.111 79.9 106.1-110.0 22.6 52.5 17.3 38.4 48 63 E D < + 0 0 60 -3,-1.0 2,-0.3 -4,-0.1 -1,-0.1 0.858 69.7 74.4 -67.5 -30.6 50.6 14.0 37.9 49 64 E R S S- 0 0 111 -4,-0.3 2,-2.2 -3,-0.2 0, 0.0 -0.640 91.1-123.3 -83.2 140.8 52.0 13.8 34.3 50 65 E E + 0 0 200 -2,-0.3 2,-0.1 2,-0.0 -1,-0.1 -0.374 60.1 145.1 -85.8 67.2 55.7 12.8 34.1 51 66 E L - 0 0 60 -2,-2.2 2,-0.6 1,-0.0 -29,-0.1 -0.420 59.8-100.4 -97.8 163.4 56.7 15.9 32.1 52 67 E T - 0 0 91 -31,-0.3 -31,-1.9 -2,-0.1 2,-0.3 -0.822 50.4-163.8 -83.8 124.5 59.8 18.1 32.1 53 68 E F E -J 20 0C 12 -2,-0.6 21,-1.5 -33,-0.2 2,-0.3 -0.841 18.6-179.7-115.3 146.8 58.9 21.1 34.3 54 69 E R E -JM 19 73C 53 -35,-2.4 -35,-2.6 -2,-0.3 2,-0.4 -0.949 19.2-136.4-133.2 161.2 60.4 24.5 34.8 55 70 E V E -JM 18 72C 0 17,-2.7 17,-2.2 -2,-0.3 2,-0.5 -0.934 8.6-155.4-116.0 140.0 59.3 27.4 37.0 56 71 E V E -JM 17 71C 0 -39,-2.3 -39,-2.0 -2,-0.4 3,-0.3 -0.969 12.3-174.7-119.8 115.3 59.2 31.0 36.0 57 72 E V E + M 0 70C 2 13,-2.1 13,-2.0 -2,-0.5 52,-0.1 -0.724 69.0 30.7-101.0 158.2 59.5 33.7 38.7 58 73 E G S S+ 0 0 6 50,-0.5 10,-0.3 -43,-0.4 2,-0.2 0.701 87.8 150.1 67.2 19.2 59.1 37.4 38.1 59 74 E E + 0 0 19 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.601 17.3 151.1 -86.8 143.1 56.7 36.7 35.2 60 75 E H + 0 0 9 1,-0.4 85,-1.4 -2,-0.2 2,-0.6 0.522 69.8 36.1-133.2 -50.1 53.8 38.9 34.1 61 76 E N B > -O 144 0D 10 3,-0.4 3,-1.2 83,-0.2 -1,-0.4 -0.956 66.6-156.5-110.5 118.0 53.1 38.5 30.3 62 77 E L T 3 S+ 0 0 30 81,-2.9 -1,-0.2 -2,-0.6 82,-0.1 0.887 90.3 43.8 -60.7 -31.9 53.5 34.9 29.3 63 78 E N T 3 S+ 0 0 113 80,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.159 110.9 52.2-104.2 19.9 54.1 35.7 25.6 64 79 E Q S < S- 0 0 122 -3,-1.2 2,-0.4 79,-0.2 -3,-0.4 -0.989 85.8 -99.3-157.3 135.2 56.5 38.7 25.9 65 80 E N - 0 0 127 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.436 29.7-178.8 -66.9 122.3 59.8 39.6 27.6 66 81 E N - 0 0 25 -2,-0.4 -1,-0.2 -5,-0.2 -4,-0.0 0.632 39.7-125.0 -90.1 -16.2 59.2 41.6 30.8 67 82 E G S S+ 0 0 61 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.473 96.5 77.4 80.0 4.4 62.9 42.1 31.6 68 83 E T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 2,-0.1 0.381 62.3 121.3-126.9 -0.1 62.2 40.5 35.1 69 84 E E - 0 0 26 -13,-0.1 2,-0.4 -11,-0.0 -11,-0.2 -0.365 37.4-168.6 -73.6 142.4 62.0 36.7 34.6 70 85 E Q E -M 57 0C 46 -13,-2.0 -13,-2.1 -2,-0.1 2,-0.5 -0.998 11.6-153.5-127.9 131.1 64.2 34.0 36.2 71 86 E Y E +M 56 0C 111 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.934 18.7 173.1-112.4 119.5 63.9 30.5 34.7 72 87 E V E -M 55 0C 6 -17,-2.2 -17,-2.7 -2,-0.5 2,-0.1 -0.981 26.8-123.1-130.9 140.5 64.8 27.6 37.0 73 88 E G E -M 54 0C 30 -2,-0.4 27,-2.7 -19,-0.2 2,-0.7 -0.313 25.6-115.9 -74.8 154.7 64.5 23.8 36.6 74 89 E V E +N 99 0C 31 -21,-1.5 25,-0.2 25,-0.2 -21,-0.2 -0.868 33.4 176.8 -91.9 114.9 62.5 21.6 38.9 75 90 E Q E + 0 0 114 23,-2.5 2,-0.3 -2,-0.7 24,-0.2 0.779 64.0 14.3 -90.1 -35.3 65.0 19.2 40.6 76 91 E K E -N 98 0C 81 22,-1.6 22,-2.6 2,-0.0 2,-0.5 -0.990 60.8-155.1-145.1 137.5 62.7 17.2 43.0 77 92 E I E -N 97 0C 71 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.953 9.4-176.2-111.4 127.1 59.0 16.8 43.3 78 93 E V E -N 96 0C 31 18,-2.9 18,-2.4 -2,-0.5 2,-0.2 -0.922 7.8-174.9-119.9 105.4 57.3 15.9 46.7 79 94 E V E -N 95 0C 55 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.629 42.3 -82.4 -97.7 161.2 53.6 15.4 46.5 80 95 E H > - 0 0 21 14,-2.0 3,-2.1 12,-0.4 -1,-0.1 -0.459 37.3-127.4 -58.5 130.9 51.4 14.7 49.6 81 96 E P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.715 108.3 48.1 -48.8 -29.5 51.6 10.9 50.6 82 97 E Y T 3 S+ 0 0 160 10,-0.1 2,-0.1 2,-0.0 11,-0.1 0.390 79.9 124.0 -95.2 -1.6 47.8 10.7 50.6 83 98 E W < - 0 0 28 -3,-2.1 2,-0.4 9,-0.2 9,-0.1 -0.409 38.9-171.1 -62.5 134.9 47.1 12.5 47.2 84 99 E N > - 0 0 76 7,-0.5 3,-2.2 3,-0.3 6,-0.2 -0.924 18.9-153.1-133.9 113.5 45.1 10.3 44.9 85 100 E T T 3 S+ 0 0 74 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.752 96.0 56.9 -45.7 -39.9 44.6 11.4 41.3 86 101 E D T 3 S+ 0 0 150 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.371 112.2 41.7 -78.0 -0.1 41.3 9.5 41.0 87 102 E D X + 0 0 73 -3,-2.2 3,-1.5 4,-0.1 4,-0.4 -0.467 52.3 158.8-147.2 72.3 39.8 11.4 43.9 88 103 E V G > S+ 0 0 19 -3,-0.4 3,-1.7 1,-0.3 5,-0.2 0.845 79.4 68.2 -62.4 -26.9 40.5 15.2 44.1 89 104 E A G 3 S+ 0 0 21 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.642 87.4 66.1 -68.2 -15.7 37.4 15.5 46.3 90 105 E A G < S- 0 0 35 -3,-1.5 -1,-0.3 1,-0.3 2,-0.2 0.709 103.2-138.8 -73.2 -21.4 39.4 13.5 49.0 91 106 E G < + 0 0 3 -3,-1.7 -7,-0.5 -4,-0.4 -1,-0.3 -0.689 66.2 118.6 101.4-157.7 41.8 16.5 49.3 92 107 E Y + 0 0 75 -2,-0.2 2,-2.2 1,-0.2 -12,-0.4 0.644 35.1 155.3 62.8 25.1 45.6 16.4 49.7 93 108 E D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.469 32.6 109.2 -84.9 79.0 46.0 18.3 46.5 94 109 E I + 0 0 0 -2,-2.2 -14,-2.0 -51,-0.3 2,-0.3 -0.993 37.7 175.7-154.6 142.1 49.4 19.8 47.3 95 110 E A E -LN 42 79C 0 -53,-2.2 -53,-2.7 -2,-0.3 2,-0.4 -0.985 18.0-144.1-147.5 148.9 53.0 19.3 46.1 96 111 E L E -LN 41 78C 0 -18,-2.4 -18,-2.9 -2,-0.3 2,-0.5 -0.956 13.6-158.0-118.5 135.7 56.4 21.0 46.9 97 112 E L E -LN 40 77C 0 -57,-2.6 -57,-2.4 -2,-0.4 2,-0.5 -0.966 7.3-147.2-119.4 124.3 59.0 21.4 44.2 98 113 E R E -LN 39 76C 42 -22,-2.6 -23,-2.5 -2,-0.5 -22,-1.6 -0.808 23.6-134.6 -88.4 130.4 62.7 21.9 44.9 99 114 E L E - 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