==== 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 15-MAY-89 5EST . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR L.H.TAKAHASHI,R.RADHAKRISHNAN,R.E.ROSENFIELDJUNIOR,E.F.MEYER . 241 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10709.0 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 . 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 . 5 2.1 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 . 1 0.4 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 7.9 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 . 10 4.1 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,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 116.1 -11.5 33.4 36.0 2 17 E V B 3 +A 182 0A 9 180,-2.2 180,-1.8 1,-0.2 134,-0.1 -0.727 360.0 11.9 -80.1 138.5 -15.1 34.1 34.9 3 18 E G T 3 S+ 0 0 36 132,-0.7 -1,-0.2 -2,-0.4 178,-0.1 0.726 98.1 139.8 72.7 24.7 -16.3 37.6 35.6 4 19 E G < - 0 0 24 -3,-0.7 2,-0.3 131,-0.2 144,-0.2 -0.177 45.8-134.9 -99.2-171.6 -12.9 38.9 36.5 5 20 E T E -B 147 0B 88 142,-2.5 142,-3.0 -2,-0.0 2,-0.3 -0.861 40.0 -89.0-134.8 149.8 -11.0 42.2 35.9 6 21 E E E -B 146 0B 112 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.592 46.8-125.7 -63.3 137.1 -7.4 42.4 34.9 7 22 E A - 0 0 3 138,-3.0 2,-0.1 -2,-0.3 138,-0.1 -0.484 23.0-104.0 -74.6 154.5 -5.1 42.5 37.9 8 23 E Q > - 0 0 128 -2,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.505 35.3-117.8 -72.9 137.1 -2.6 45.3 38.5 9 24 E R T 3 S+ 0 0 113 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.647 112.1 42.7 -42.0 -40.3 1.0 43.9 37.6 10 25 E N T 3 S+ 0 0 85 1,-0.1 -1,-0.3 99,-0.0 -2,-0.1 0.211 92.9 94.7 -92.4 3.7 2.3 44.4 41.1 11 26 E S S < S+ 0 0 45 -3,-2.1 -1,-0.1 1,-0.2 -2,-0.1 0.767 88.8 22.1 -80.1 -45.0 -0.8 43.1 42.9 12 27 E W > + 0 0 30 -4,-0.3 3,-1.7 -3,-0.2 -1,-0.2 -0.642 63.7 170.2-130.3 76.6 -0.4 39.4 43.6 13 28 E P T 3 S+ 0 0 39 0, 0.0 97,-1.4 0, 0.0 45,-0.3 0.427 73.8 60.7 -74.9 -3.5 3.4 38.7 43.7 14 29 E S T 3 S+ 0 0 9 95,-0.2 20,-2.4 97,-0.1 2,-0.3 0.466 79.3 111.3 -96.6 -5.2 3.1 35.2 45.1 15 30 E Q E < -I 33 0C 6 -3,-1.7 43,-0.5 18,-0.2 44,-0.4 -0.513 48.6-172.8 -65.1 130.7 1.0 34.0 42.1 16 31 E I E -I 32 0C 0 16,-1.8 16,-0.9 -2,-0.3 2,-0.5 -0.874 21.8-130.4-117.9 168.1 2.8 31.5 39.8 17 32 E S E -IJ 31 56C 0 39,-2.0 39,-2.8 -2,-0.3 2,-0.6 -0.968 16.3-155.1-115.2 120.9 2.1 29.9 36.4 18 33 E L E +IJ 30 55C 0 12,-3.1 11,-3.4 -2,-0.5 12,-2.0 -0.886 24.3 173.3 -96.7 118.6 2.5 26.2 36.2 19 34 E Q E -IJ 28 54C 8 35,-2.6 35,-2.6 -2,-0.6 2,-0.3 -0.856 22.5-142.5-125.5 160.1 3.2 25.0 32.7 20 35 E Y E -IJ 27 53C 74 7,-2.0 7,-2.5 -2,-0.3 2,-0.3 -0.936 33.4-100.5-129.1 145.1 4.2 21.9 30.8 21 36 E R E -I 26 0C 135 31,-1.6 2,-0.6 -2,-0.3 31,-0.3 -0.455 42.6-174.9 -69.8 103.6 6.5 21.3 27.8 22 36AE S E > -I 25 0C 53 3,-2.0 3,-2.3 -2,-0.3 2,-0.6 -0.896 56.3 -56.6-112.9 100.5 4.2 21.1 24.9 23 36BE G T 3 S- 0 0 68 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.640 119.7 -25.6 75.6-111.3 5.9 20.2 21.7 24 36CE S T 3 S+ 0 0 132 -2,-0.6 -1,-0.3 -3,-0.1 2,-0.1 0.355 135.0 67.7-103.8 -13.0 8.5 23.0 21.3 25 37 E S E < S-I 22 0C 76 -3,-2.3 -3,-2.0 -5,-0.0 2,-0.4 -0.107 79.3-121.0-102.5-176.3 6.4 25.4 23.5 26 38 E W E -I 21 0C 76 -5,-0.3 2,-0.4 -2,-0.1 -5,-0.2 -0.954 24.7-154.6-135.2 118.2 5.3 25.6 27.1 27 39 E A E -I 20 0C 30 -7,-2.5 -7,-2.0 -2,-0.4 2,-0.2 -0.910 16.7-122.8-107.2 129.0 1.6 25.6 27.8 28 40 E H E +I 19 0C 19 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.553 39.2 160.5 -65.1 132.3 0.0 27.1 31.0 29 41 E T E + 0 0 43 -11,-3.4 157,-0.4 1,-0.4 2,-0.3 0.587 54.1 1.3-125.2 -30.2 -2.0 24.5 32.9 30 42 E a E -I 18 0C 0 -12,-2.0 -12,-3.1 157,-0.1 -1,-0.4 -0.999 57.8-114.0-146.2 168.2 -2.5 25.8 36.4 31 43 E G E +I 17 0C 0 157,-2.1 12,-0.4 -2,-0.3 2,-0.3 -0.306 31.6 172.8 -85.1 179.7 -1.9 28.3 39.1 32 44 E G E -I 16 0C 0 -16,-0.9 -16,-1.8 10,-0.1 2,-0.4 -0.955 27.0-118.9-161.2-175.6 0.2 27.9 42.3 33 45 E T E -IK 15 41C 0 8,-1.8 8,-2.6 -2,-0.3 2,-0.4 -0.996 22.1-126.1-135.5 135.6 1.5 30.1 45.2 34 46 E L E + K 0 40C 0 -20,-2.4 78,-3.7 -2,-0.4 6,-0.2 -0.636 36.5 166.5 -81.0 112.0 5.2 30.6 46.0 35 47 E I E + 0 0 3 4,-2.4 2,-0.3 1,-0.5 5,-0.2 0.700 67.1 11.4-112.0 -19.5 5.5 29.6 49.7 36 48 E R E > S- K 0 39C 80 3,-2.2 3,-1.2 74,-0.1 -1,-0.5 -0.899 87.7 -98.9-138.8 172.7 9.3 29.4 49.9 37 49 E Q T 3 S+ 0 0 80 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.681 128.0 26.2 -58.7 -22.0 12.1 30.5 47.5 38 50 E N T 3 S+ 0 0 32 64,-0.2 61,-2.9 62,-0.1 2,-0.3 0.170 114.0 73.9-134.7 20.1 12.2 26.9 46.4 39 51 E W E < -KL 36 98C 4 -3,-1.2 -4,-2.4 59,-0.2 -3,-2.2 -0.998 51.3-169.8-138.7 139.8 8.7 25.6 47.1 40 52 E V E -KL 34 97C 0 57,-2.2 57,-2.9 -2,-0.3 2,-0.4 -0.946 14.8-142.4-126.9 138.9 5.3 26.1 45.4 41 53 E M E +KL 33 96C 0 -8,-2.6 -8,-1.8 -2,-0.3 2,-0.2 -0.860 37.1 143.9 -93.9 127.9 1.8 25.1 46.6 42 54 E T E - L 0 95C 0 53,-3.2 53,-2.6 -2,-0.4 2,-0.2 -0.834 51.5 -73.6-148.9-171.9 -0.7 23.8 44.0 43 55 E A - 0 0 0 -12,-0.4 3,-0.4 51,-0.3 51,-0.3 -0.571 32.7-133.2 -90.0 147.6 -3.5 21.2 43.5 44 56 E A S > S+ 0 0 0 -2,-0.2 3,-2.2 1,-0.2 4,-0.2 0.834 104.4 65.3 -65.8 -38.1 -2.6 17.6 43.2 45 57 E H G > S+ 0 0 22 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.790 90.2 65.9 -60.4 -20.7 -4.9 17.2 40.1 46 58 E a G 3 S+ 0 0 10 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.549 109.3 40.5 -65.7 -23.8 -2.6 19.7 38.2 47 59 E V G < S+ 0 0 16 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.189 77.1 107.7-124.8 16.6 0.0 17.0 38.5 48 60 E D S < S+ 0 0 38 -3,-1.0 2,-0.3 -4,-0.2 -2,-0.1 0.884 73.2 69.4 -52.6 -42.4 -2.0 13.9 37.8 49 61 E R S S- 0 0 165 -4,-0.3 2,-1.5 1,-0.1 0, 0.0 -0.689 88.5-126.0 -91.1 140.6 -0.3 13.6 34.4 50 62 E E + 0 0 195 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 -0.579 57.7 138.6 -84.5 86.0 3.4 12.8 34.2 51 63 E L - 0 0 83 -2,-1.5 2,-0.5 -4,-0.1 -29,-0.1 -0.469 63.2 -90.5-112.5 179.0 4.6 15.8 32.1 52 64 E T - 0 0 67 -31,-0.3 -31,-1.6 -2,-0.2 2,-0.3 -0.857 52.6-165.8 -94.5 125.8 7.6 18.1 32.1 53 65 E F E -J 20 0C 15 -2,-0.5 21,-1.6 21,-0.3 2,-0.3 -0.879 15.6-178.1-115.4 149.7 6.7 21.1 34.3 54 65AE R E -JM 19 73C 49 -35,-2.6 -35,-2.6 -2,-0.3 2,-0.5 -0.954 18.6-136.3-138.3 157.0 8.1 24.5 34.9 55 66 E V E -JM 18 72C 0 17,-2.9 17,-3.0 -2,-0.3 2,-0.5 -0.954 10.3-158.3-106.6 139.8 7.1 27.3 37.1 56 67 E V E -JM 17 71C 0 -39,-2.8 -39,-2.0 -2,-0.5 2,-0.3 -0.975 11.1-173.8-113.5 121.8 7.0 31.0 36.1 57 68 E V E + M 0 70C 2 13,-2.6 13,-2.5 -2,-0.5 -41,-0.1 -0.821 67.4 33.5-108.1 160.7 7.2 33.7 38.8 58 69 E G S S+ 0 0 8 50,-0.5 2,-0.4 -43,-0.5 10,-0.2 0.816 87.9 156.9 63.7 36.5 6.9 37.5 38.2 59 70 E E + 0 0 18 -44,-0.4 -1,-0.3 -3,-0.3 3,-0.1 -0.796 19.3 144.9 -95.1 137.8 4.4 36.7 35.5 60 71 E H + 0 0 9 -2,-0.4 85,-1.4 1,-0.3 2,-0.6 0.602 68.2 38.8-131.2 -57.4 1.7 38.9 34.2 61 72 E N B > -O 144 0D 14 3,-0.2 3,-0.6 83,-0.2 -1,-0.3 -0.922 63.4-157.0 -98.7 120.5 1.1 38.5 30.4 62 73 E L T 3 S+ 0 0 32 81,-3.6 -1,-0.1 -2,-0.6 82,-0.1 0.680 91.1 39.8 -55.7 -31.5 1.3 34.8 29.2 63 74 E N T 3 S+ 0 0 107 80,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.472 111.0 52.3-110.2 -3.8 2.1 35.8 25.7 64 75 E Q S < S- 0 0 126 -3,-0.6 2,-0.3 79,-0.2 -3,-0.2 -0.933 85.3-101.3-128.4 167.9 4.5 38.7 25.9 65 76 E N - 0 0 125 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.1 -0.575 30.0-176.6 -88.1 133.5 7.7 39.5 27.7 66 77 E N - 0 0 28 -2,-0.3 -1,-0.1 -8,-0.1 -7,-0.0 0.442 41.7-120.6-103.6 -10.2 7.0 41.6 30.8 67 78 E G S S+ 0 0 60 1,-0.0 -2,-0.1 2,-0.0 -9,-0.0 0.627 98.4 77.9 82.6 5.9 10.7 42.1 31.8 68 79 E T + 0 0 21 -10,-0.2 2,-0.2 40,-0.0 40,-0.1 0.425 60.0 117.9-125.6 -8.9 9.9 40.4 35.2 69 80 E E - 0 0 25 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.492 36.6-169.5 -73.2 145.1 9.7 36.6 34.7 70 81 E Q E -M 57 0C 43 -13,-2.5 -13,-2.6 -2,-0.2 2,-0.5 -0.987 12.6-154.1-126.7 137.4 11.9 33.9 36.2 71 82 E Y E +M 56 0C 113 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.960 16.7 178.3-117.9 109.2 11.5 30.4 34.8 72 83 E V E -M 55 0C 7 -17,-3.0 -17,-2.9 -2,-0.5 2,-0.1 -0.980 25.4-123.6-118.4 142.6 12.4 27.4 37.1 73 84 E G E -M 54 0C 34 -2,-0.4 27,-2.8 -19,-0.2 2,-0.7 -0.350 26.8-116.5 -75.3 153.1 12.2 23.7 36.5 74 85 E V E +N 99 0C 32 -21,-1.6 -21,-0.3 25,-0.2 25,-0.2 -0.877 33.2 177.6 -92.8 106.8 10.2 21.5 38.9 75 86 E Q E + 0 0 113 23,-2.0 2,-0.3 -2,-0.7 24,-0.2 0.667 64.6 15.1 -79.8 -28.8 12.7 19.1 40.6 76 87 E K E -N 98 0C 97 22,-1.5 22,-2.9 2,-0.0 2,-0.5 -0.966 57.6-157.5-158.2 131.2 10.3 17.2 42.9 77 88 E I E -N 97 0C 72 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.984 7.4-174.3-116.8 124.7 6.6 16.8 43.3 78 89 E V E -N 96 0C 30 18,-2.8 18,-2.3 -2,-0.5 2,-0.4 -0.980 9.8-171.4-116.7 100.3 5.0 15.7 46.7 79 90 E V E -N 95 0C 48 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.825 41.0 -86.1 -93.0 150.8 1.3 15.1 46.4 80 91 E H > - 0 0 19 14,-2.0 3,-2.6 -2,-0.4 -1,-0.1 -0.332 38.6-127.7 -51.7 125.2 -0.8 14.5 49.5 81 92 E P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.739 107.5 46.3 -47.8 -28.3 -0.5 10.8 50.4 82 93 E Y T 3 S+ 0 0 165 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.346 79.8 126.4 -98.0 -1.1 -4.3 10.4 50.5 83 94 E W < - 0 0 27 -3,-2.6 2,-0.4 9,-0.2 9,-0.1 -0.435 40.3-165.8 -59.6 137.1 -5.1 12.4 47.2 84 95 E N > - 0 0 76 7,-0.5 3,-2.3 3,-0.3 6,-0.3 -0.938 15.3-156.4-136.4 118.0 -7.3 10.3 44.9 85 96 E T G > S+ 0 0 63 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.764 95.4 53.3 -56.1 -43.7 -7.8 11.3 41.3 86 97 E D G 3 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.294 113.4 48.2 -71.9 -0.4 -11.1 9.5 40.9 87 98 E D G X + 0 0 73 -3,-2.3 3,-1.6 4,-0.1 -3,-0.3 -0.357 52.1 156.2-145.4 65.5 -12.4 11.3 44.0 88 99 E V G X S+ 0 0 10 -3,-0.5 3,-1.5 1,-0.2 5,-0.3 0.751 78.3 63.7 -49.0 -35.8 -11.8 15.1 44.0 89 99AE A G 3 S+ 0 0 12 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.654 88.3 69.0 -79.6 -3.4 -14.8 15.4 46.4 90 99BE A G < S- 0 0 35 -3,-1.6 -1,-0.3 1,-0.3 2,-0.2 0.687 103.8-138.7 -78.0 -17.0 -12.9 13.4 49.0 91 100 E G < + 0 0 4 -3,-1.5 -7,-0.5 -4,-0.3 -1,-0.3 -0.538 66.2 121.6 96.0-157.6 -10.6 16.3 49.3 92 101 E Y + 0 0 81 -2,-0.2 2,-2.2 1,-0.2 -12,-0.3 0.543 33.8 155.5 66.9 24.6 -6.8 16.2 49.6 93 102 E D + 0 0 0 -5,-0.3 2,-0.3 -50,-0.1 131,-0.3 -0.394 32.9 106.3 -80.6 79.2 -6.3 18.3 46.5 94 103 E I + 0 0 0 -2,-2.2 -14,-2.0 -51,-0.3 2,-0.3 -0.987 37.9 174.3-158.8 141.6 -3.0 19.7 47.3 95 104 E A E -LN 42 79C 0 -53,-2.6 -53,-3.2 -2,-0.3 2,-0.4 -0.953 19.0-141.2-144.0 154.0 0.7 19.3 46.2 96 105 E L E -LN 41 78C 0 -18,-2.3 -18,-2.8 -2,-0.3 2,-0.4 -0.994 11.7-157.5-119.1 139.4 4.0 20.9 46.8 97 106 E L E -LN 40 77C 1 -57,-2.9 -57,-2.2 -2,-0.4 2,-0.5 -0.899 7.3-149.5-117.7 124.1 6.7 21.4 44.1 98 107 E R E -LN 39 76C 64 -22,-2.9 -23,-2.0 -2,-0.4 -22,-1.5 -0.885 25.1-131.9 -94.8 126.5 10.3 21.8 45.0 99 108 E L E - 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