==== 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 07-DEC-93 1ELA . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.MATTOS,B.RASMUSSEN,X.DING,G.A.PETSKO,D.RINGE . 241 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 63.1 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 . 83 34.4 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 . 18 7.5 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 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 A V > 0 0 1 0, 0.0 3,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 121.4 40.9 33.5 36.0 2 17 A V B 3 +A 182 0A 11 180,-2.4 180,-1.5 1,-0.2 134,-0.1 -0.699 360.0 10.7 -88.6 142.2 37.3 34.3 34.7 3 18 A G T 3 S+ 0 0 40 132,-0.6 -1,-0.2 -2,-0.3 178,-0.1 0.846 99.0 138.5 62.4 31.2 36.1 37.9 35.4 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.183 46.2-135.7 -93.2-170.9 39.5 39.1 36.5 5 20 A T E -B 147 0B 89 142,-1.9 142,-2.6 -2,-0.1 2,-0.2 -0.936 37.9 -86.8-140.0 156.7 41.5 42.3 35.8 6 21 A E E -B 146 0B 117 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.526 44.0-133.3 -70.5 135.5 45.2 42.5 34.9 7 22 A A - 0 0 3 138,-2.8 2,-0.1 -2,-0.2 138,-0.1 -0.533 20.7-106.7 -83.9 151.9 47.5 42.7 37.9 8 23 A Q > - 0 0 135 -2,-0.2 3,-1.4 1,-0.1 4,-0.5 -0.509 36.9-109.0 -71.1 156.7 50.4 45.2 38.3 9 24 A R T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.727 114.1 36.4 -62.8 -24.9 53.9 43.7 37.8 10 25 A N T 3 S+ 0 0 88 1,-0.1 -1,-0.3 2,-0.0 50,-0.0 0.368 89.3 93.2-113.1 6.2 54.8 43.9 41.4 11 26 A S S < S+ 0 0 44 -3,-1.4 -2,-0.1 1,-0.2 -1,-0.1 0.890 97.8 24.8 -69.9 -37.2 51.6 43.2 43.2 12 27 A W > + 0 0 26 -4,-0.5 3,-1.8 1,-0.1 -1,-0.2 -0.591 68.1 167.2-131.3 69.1 52.0 39.4 43.7 13 28 A P T 3 S+ 0 0 33 0, 0.0 97,-1.7 0, 0.0 45,-0.3 0.500 71.6 61.2 -70.4 -6.1 55.7 38.7 43.7 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.5 97,-0.1 98,-0.2 0.507 78.4 110.9 -93.6 -10.6 55.5 35.1 45.0 15 30 A Q E < -I 33 0C 6 -3,-1.8 43,-0.5 18,-0.2 44,-0.4 -0.439 48.2-174.9 -61.5 130.2 53.4 34.0 42.0 16 31 A I E -I 32 0C 1 16,-2.1 16,-0.9 -2,-0.2 2,-0.5 -0.888 23.6-130.1-123.0 161.6 55.2 31.6 39.7 17 32 A S E -IJ 31 56C 0 39,-1.8 39,-2.3 -2,-0.3 2,-0.6 -0.962 16.3-152.5-106.9 125.2 54.4 29.9 36.4 18 33 A L E +IJ 30 55C 0 12,-3.1 11,-2.6 -2,-0.5 12,-1.8 -0.904 24.5 179.5 -96.8 118.6 55.0 26.1 36.2 19 34 A Q E -IJ 28 54C 10 35,-2.6 35,-2.6 -2,-0.6 2,-0.3 -0.887 17.7-150.5-124.1 149.8 55.8 25.2 32.6 20 35 A Y E -IJ 27 53C 54 7,-2.3 7,-2.7 -2,-0.3 2,-0.4 -0.883 32.3 -98.3-119.4 156.5 56.6 21.9 30.8 21 36 A R E -I 26 0C 135 31,-1.9 2,-0.5 -2,-0.3 31,-0.3 -0.552 37.2-177.2 -76.0 125.0 58.7 21.3 27.8 22 37 A S E > -I 25 0C 61 3,-2.3 3,-2.1 -2,-0.4 2,-0.5 -0.930 61.6 -55.9-128.6 100.6 56.5 21.0 24.7 23 38 A G T 3 S- 0 0 72 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.525 119.9 -22.3 68.2-114.3 58.7 20.2 21.6 24 39 A S T 3 S+ 0 0 113 -2,-0.5 -1,-0.3 -3,-0.1 2,-0.1 0.425 133.1 65.4-101.2 -7.3 61.3 23.0 21.4 25 40 A S E < S-I 22 0C 79 -3,-2.1 -3,-2.3 -5,-0.0 2,-0.4 -0.357 77.9-119.5-106.4-173.7 59.1 25.4 23.5 26 41 A W E -I 21 0C 76 -5,-0.3 2,-0.4 -2,-0.1 -5,-0.2 -0.988 22.6-156.8-128.2 133.0 57.7 25.6 27.0 27 42 A A E -I 20 0C 29 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.3 -0.958 18.9-120.5-117.1 136.1 54.1 25.7 27.8 28 43 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.514 40.1 158.2 -66.3 127.8 52.4 27.2 30.9 29 44 A T E + 0 0 27 -11,-2.6 2,-0.3 1,-0.4 157,-0.2 0.681 56.6 5.3-117.4 -32.6 50.3 24.5 32.8 30 45 A a E -I 18 0C 5 -12,-1.8 -12,-3.1 157,-0.1 -1,-0.4 -0.946 58.9-120.2-150.9 159.7 49.9 25.7 36.4 31 46 A G E +I 17 0C 0 157,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.336 31.3 174.9 -87.5-178.9 50.5 28.4 38.9 32 47 A G E -I 16 0C 0 -16,-0.9 -16,-2.1 10,-0.1 2,-0.4 -0.962 27.7-116.8-171.6 174.8 52.5 28.0 42.2 33 48 A T E -IK 15 41C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.4 -0.994 22.0-130.9-127.5 125.2 53.9 30.1 45.1 34 49 A L E + K 0 40C 1 -20,-2.5 78,-2.9 -2,-0.4 6,-0.3 -0.634 33.9 167.7 -70.6 121.4 57.6 30.6 45.8 35 50 A I E + 0 0 1 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.570 66.6 12.6-115.7 -17.8 58.0 29.7 49.6 36 51 A R E > S- K 0 39C 84 3,-1.9 3,-1.3 74,-0.1 -1,-0.4 -0.933 90.0 -98.4-141.3 168.8 61.7 29.5 49.9 37 52 A Q T 3 S+ 0 0 85 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.768 127.4 26.7 -60.9 -21.1 64.4 30.6 47.4 38 53 A N T 3 S+ 0 0 52 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.091 113.4 76.5-127.7 19.8 64.7 27.0 46.2 39 54 A W E < -KL 36 98C 3 -3,-1.3 -4,-2.5 59,-0.2 -3,-1.9 -0.999 51.2-171.5-138.3 134.4 61.2 25.7 47.0 40 55 A V E -KL 34 97C 0 57,-2.2 57,-2.6 -2,-0.4 2,-0.4 -0.957 13.8-145.9-117.8 139.4 57.8 26.2 45.3 41 56 A M E +KL 33 96C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.904 35.1 145.4-101.7 132.3 54.4 25.1 46.6 42 57 A T E - L 0 95C 0 53,-2.6 53,-2.1 -2,-0.4 2,-0.3 -0.781 51.7 -69.2-147.4-170.0 51.8 23.9 43.9 43 58 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.4 -0.699 33.4-134.3 -89.7 143.7 48.9 21.4 43.4 44 59 A A G > S+ 0 0 0 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.890 103.8 64.0 -66.5 -31.7 49.8 17.7 43.3 45 60 A H G > S+ 0 0 30 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.702 92.7 65.0 -65.6 -16.8 47.5 17.2 40.2 46 61 A a G < S+ 0 0 3 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.716 107.2 40.3 -73.1 -27.2 49.8 19.6 38.2 47 62 A V G < S+ 0 0 16 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.073 80.3 106.3-111.5 21.6 52.7 17.2 38.4 48 63 A D < + 0 0 58 -3,-0.6 2,-0.2 -4,-0.1 -1,-0.1 0.915 70.0 71.4 -64.5 -40.0 50.8 13.9 37.9 49 64 A R S S- 0 0 127 -4,-0.3 2,-1.9 -3,-0.2 0, 0.0 -0.562 91.6-124.2 -75.6 140.9 52.2 13.7 34.4 50 65 A E + 0 0 195 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.549 59.0 143.4 -89.7 78.0 55.9 12.8 34.2 51 66 A L - 0 0 64 -2,-1.9 2,-0.7 -4,-0.0 -31,-0.0 -0.514 60.9 -94.9-108.9 169.4 57.0 15.8 32.2 52 67 A T - 0 0 87 -31,-0.3 -31,-1.9 -2,-0.2 2,-0.3 -0.838 51.9-166.0 -85.4 120.3 60.0 18.0 32.1 53 68 A F E -J 20 0C 13 -2,-0.7 21,-1.4 -33,-0.2 2,-0.3 -0.795 16.7-179.5-114.5 148.5 59.1 21.0 34.3 54 69 A R E -JM 19 73C 50 -35,-2.6 -35,-2.6 -2,-0.3 2,-0.4 -0.957 18.9-135.8-135.5 162.0 60.6 24.4 34.9 55 70 A V E -JM 18 72C 0 17,-2.8 17,-2.4 -2,-0.3 2,-0.5 -0.943 9.5-158.7-116.1 137.1 59.6 27.3 37.1 56 71 A V E -JM 17 71C 0 -39,-2.3 -39,-1.8 -2,-0.4 3,-0.3 -0.979 10.9-172.2-114.7 119.7 59.6 31.0 36.0 57 72 A V E + M 0 70C 3 13,-2.5 13,-2.0 -2,-0.5 -41,-0.1 -0.778 67.9 32.5-103.7 156.2 59.7 33.6 38.7 58 73 A G S S+ 0 0 6 -43,-0.5 2,-0.3 50,-0.5 10,-0.3 0.793 86.2 154.5 72.4 27.0 59.3 37.4 38.1 59 74 A E + 0 0 18 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.690 18.5 149.7 -93.7 142.1 56.9 36.6 35.3 60 75 A H S S+ 0 0 8 1,-0.3 85,-1.5 -2,-0.3 2,-0.6 0.540 70.1 34.2-131.1 -52.8 54.1 38.9 34.1 61 76 A N B > -O 144 0D 10 3,-0.3 3,-1.0 83,-0.2 -1,-0.3 -0.946 64.3-156.6-112.0 118.5 53.4 38.4 30.4 62 77 A L T 3 S+ 0 0 33 81,-2.9 -1,-0.2 -2,-0.6 82,-0.1 0.880 89.7 44.8 -60.5 -33.2 53.8 34.8 29.2 63 78 A N T 3 S+ 0 0 116 80,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.274 110.6 46.2-101.8 8.2 54.4 35.7 25.6 64 79 A Q S < S- 0 0 116 -3,-1.0 -3,-0.3 79,-0.2 2,-0.3 -0.997 87.5 -93.7-149.0 150.4 56.9 38.6 25.8 65 80 A N - 0 0 131 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.438 31.0-179.3 -65.6 124.7 60.1 39.6 27.6 66 81 A N - 0 0 27 -2,-0.3 -1,-0.2 -5,-0.1 -4,-0.0 0.649 38.9-127.0 -95.5 -17.4 59.4 41.5 30.8 67 82 A G S S+ 0 0 59 1,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.575 95.2 78.6 79.5 9.2 63.1 41.9 31.7 68 83 A T + 0 0 24 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.385 62.6 118.1-126.6 -0.3 62.4 40.5 35.2 69 84 A E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.331 38.3-169.3 -79.5 146.7 62.2 36.7 34.7 70 85 A Q E -M 57 0C 43 -13,-2.0 -13,-2.5 -2,-0.1 2,-0.5 -0.993 11.7-154.7-129.9 136.8 64.4 34.0 36.2 71 86 A Y E +M 56 0C 113 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.949 18.4 170.6-119.9 121.7 64.1 30.5 34.8 72 87 A V E -M 55 0C 6 -17,-2.4 -17,-2.8 -2,-0.5 2,-0.1 -0.982 28.4-118.8-138.2 141.8 65.1 27.5 36.9 73 88 A G E -M 54 0C 31 -2,-0.4 27,-2.9 -19,-0.2 2,-0.6 -0.343 26.2-116.0 -74.7 153.0 64.7 23.7 36.6 74 89 A V E +N 99 0C 33 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.839 32.1 178.0 -88.9 121.8 62.7 21.5 39.0 75 90 A Q E + 0 0 110 23,-3.0 2,-0.3 -2,-0.6 24,-0.2 0.757 63.8 13.3 -95.0 -31.2 65.2 19.1 40.6 76 91 A K E -N 98 0C 86 22,-1.6 22,-2.8 2,-0.0 2,-0.4 -0.983 59.7-155.3-149.3 133.7 62.9 17.1 43.0 77 92 A I E -N 97 0C 71 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.950 8.9-175.9-111.2 129.7 59.1 16.7 43.3 78 93 A V E -N 96 0C 30 18,-2.7 18,-2.6 -2,-0.4 2,-0.2 -0.955 8.8-174.5-122.9 104.3 57.6 15.8 46.7 79 94 A V E -N 95 0C 53 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.671 42.2 -82.6 -98.9 158.9 53.8 15.3 46.5 80 95 A H > - 0 0 21 14,-2.0 3,-2.4 12,-0.4 -1,-0.1 -0.462 36.6-127.3 -58.9 131.6 51.7 14.6 49.6 81 96 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.706 108.0 49.6 -49.5 -30.8 51.8 10.8 50.6 82 97 A Y T 3 S+ 0 0 164 10,-0.1 2,-0.2 2,-0.0 11,-0.1 0.366 78.9 124.8 -93.4 1.9 48.0 10.7 50.6 83 98 A W < - 0 0 30 -3,-2.4 2,-0.4 9,-0.1 9,-0.1 -0.445 38.4-170.8 -64.0 133.3 47.3 12.4 47.2 84 99 A N > - 0 0 77 7,-0.5 3,-2.2 3,-0.4 6,-0.2 -0.947 16.3-156.1-129.1 112.9 45.2 10.2 45.0 85 100 A T T 3 S+ 0 0 60 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.768 94.2 59.5 -51.8 -34.4 44.7 11.3 41.4 86 101 A D T 3 S+ 0 0 149 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.425 112.7 39.2 -78.2 -3.8 41.5 9.4 41.0 87 102 A D X + 0 0 71 -3,-2.2 3,-1.1 4,-0.1 -3,-0.4 -0.529 52.2 161.6-147.8 81.7 40.0 11.4 43.9 88 103 A V G > S+ 0 0 14 -3,-0.4 3,-1.5 1,-0.2 5,-0.2 0.805 80.2 67.9 -64.9 -24.9 40.8 15.2 44.0 89 104 A A G 3 S+ 0 0 17 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.671 86.3 66.8 -72.0 -16.6 37.7 15.5 46.3 90 105 A A G < S- 0 0 35 -3,-1.1 -1,-0.3 1,-0.3 2,-0.2 0.694 103.9-137.9 -71.0 -18.0 39.5 13.5 49.0 91 106 A G < + 0 0 3 -3,-1.5 -7,-0.5 -4,-0.3 -1,-0.3 -0.678 67.9 117.5 98.4-158.6 42.0 16.5 49.4 92 107 A Y + 0 0 77 -2,-0.2 2,-2.1 1,-0.2 -12,-0.4 0.646 36.3 157.0 58.8 27.0 45.8 16.5 49.8 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.501 33.3 106.8 -82.7 81.1 46.2 18.3 46.5 94 109 A I + 0 0 0 -2,-2.1 -14,-2.0 -51,-0.3 2,-0.3 -0.987 38.3 175.5-158.6 142.5 49.6 19.8 47.3 95 110 A A E -LN 42 79C 0 -53,-2.1 -53,-2.6 -2,-0.3 2,-0.4 -0.976 19.3-140.7-148.3 153.1 53.2 19.2 46.2 96 111 A L E -LN 41 78C 0 -18,-2.6 -18,-2.7 -2,-0.3 2,-0.5 -0.978 13.4-155.1-120.7 134.5 56.5 20.9 46.9 97 112 A L E -LN 40 77C 0 -57,-2.6 -57,-2.2 -2,-0.4 2,-0.5 -0.947 6.7-147.3-116.8 123.5 59.2 21.4 44.2 98 113 A R E -LN 39 76C 49 -22,-2.8 -23,-3.0 -2,-0.5 -22,-1.6 -0.807 23.9-135.0 -85.8 127.8 62.8 21.7 45.0 99 114 A L E - 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