==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 04-FEB-94 1ESA . COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR X.DING,B.RASMUSSEN,G.A.PETSKO,D.RINGE . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.8 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 . 85 35.4 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 . 20 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.5 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 . 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 A V > 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 121.7 39.8 33.7 35.9 2 17 A V B 3 +A 182 0A 8 180,-2.3 180,-2.0 1,-0.2 134,-0.1 -0.813 360.0 15.4 -91.2 134.1 36.2 34.5 34.7 3 18 A G T 3 S+ 0 0 41 132,-0.5 -1,-0.2 -2,-0.4 178,-0.1 0.692 100.0 134.1 79.9 18.2 35.0 38.0 35.5 4 19 A G < - 0 0 23 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.202 46.3-140.2 -94.2-179.9 38.5 39.3 36.3 5 20 A T E -B 147 0B 90 142,-2.0 142,-2.5 -2,-0.1 2,-0.2 -0.958 39.0 -83.2-136.1 160.6 40.6 42.4 35.5 6 21 A E E -B 146 0B 109 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.410 44.9-131.0 -68.9 125.7 44.2 42.7 34.6 7 22 A A - 0 0 2 138,-2.7 2,-0.1 -2,-0.2 138,-0.1 -0.484 25.7-104.2 -70.0 146.9 46.4 42.8 37.6 8 23 A Q > - 0 0 141 -2,-0.2 3,-1.7 1,-0.1 4,-0.4 -0.512 38.3-107.0 -69.7 148.2 49.1 45.6 37.9 9 24 A R T 3 S+ 0 0 122 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.636 114.3 36.3 -48.3 -28.1 52.5 44.2 37.2 10 25 A N T 3 S+ 0 0 97 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.273 89.8 93.4-116.9 11.5 53.7 44.4 40.9 11 26 A S S < S+ 0 0 41 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.832 94.1 26.5 -73.8 -35.6 50.6 43.5 42.8 12 27 A W > + 0 0 30 -4,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.647 65.8 166.6-133.0 68.2 51.0 39.7 43.3 13 28 A P T 3 S+ 0 0 35 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.570 71.9 61.2 -73.1 -10.3 54.7 39.0 43.2 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.2 97,-0.1 2,-0.2 0.467 78.3 108.9 -87.7 -5.5 54.4 35.4 44.6 15 30 A Q E < -I 33 0C 8 -3,-1.7 43,-0.4 18,-0.2 2,-0.3 -0.513 49.9-173.9 -72.8 132.6 52.3 34.2 41.7 16 31 A I E -I 32 0C 0 16,-2.0 16,-0.7 -2,-0.2 2,-0.5 -0.886 23.4-128.5-121.7 165.0 54.1 31.9 39.4 17 32 A S E -IJ 31 56C 0 39,-2.3 39,-2.3 -2,-0.3 2,-0.6 -0.959 17.1-153.8-109.4 126.6 53.4 30.2 36.1 18 33 A L E -IJ 30 55C 0 12,-3.0 11,-2.6 -2,-0.5 12,-1.7 -0.896 22.9-179.4 -98.5 121.1 53.9 26.4 35.9 19 34 A Q E -IJ 28 54C 9 35,-3.0 35,-2.7 -2,-0.6 2,-0.3 -0.874 17.6-149.1-124.4 150.5 54.6 25.4 32.3 20 35 A Y E -IJ 27 53C 72 7,-2.4 7,-2.4 -2,-0.3 2,-0.4 -0.850 29.8-103.1-117.2 157.0 55.3 22.1 30.6 21 36 A R E -I 26 0C 144 31,-2.0 2,-0.4 -2,-0.3 31,-0.4 -0.681 32.1-175.8 -85.7 129.3 57.4 21.4 27.5 22 37 A S E > -I 25 0C 52 3,-3.0 3,-2.5 -2,-0.4 2,-0.4 -0.930 63.0 -59.8-124.8 90.4 55.4 20.9 24.4 23 38 A G T 3 S- 0 0 70 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.485 119.6 -19.3 67.4-116.6 57.8 19.9 21.6 24 39 A S T 3 S+ 0 0 124 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.334 132.4 71.3 -98.7 2.9 60.2 22.9 21.3 25 40 A S E < S-I 22 0C 68 -3,-2.5 -3,-3.0 2,-0.0 2,-0.4 -0.639 72.2-128.1-118.8 173.3 57.8 25.2 23.1 26 41 A W E -I 21 0C 78 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.974 18.2-165.8-123.8 139.1 56.4 25.8 26.6 27 42 A A E -I 20 0C 30 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.2 -0.976 23.1-118.4-127.5 139.6 52.8 26.0 27.6 28 43 A H E +I 19 0C 17 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.505 38.5 158.8 -68.2 134.7 51.1 27.3 30.8 29 44 A T E + 0 0 43 -11,-2.6 2,-0.3 1,-0.4 157,-0.3 0.596 59.4 4.6-125.3 -35.9 49.1 24.7 32.6 30 45 A a E -I 18 0C 5 -12,-1.7 -12,-3.0 157,-0.1 -1,-0.4 -0.912 58.6-123.2-147.1 164.5 48.8 25.9 36.2 31 46 A G E +I 17 0C 0 157,-2.5 12,-0.4 -2,-0.3 2,-0.3 -0.371 29.8 175.7 -92.7-175.1 49.6 28.7 38.7 32 47 A G E -I 16 0C 0 -16,-0.7 -16,-2.0 -2,-0.1 2,-0.4 -0.948 27.4-113.3-175.3 174.1 51.6 28.3 42.0 33 48 A T E -IK 15 41C 0 8,-2.7 8,-2.8 -2,-0.3 2,-0.5 -0.991 22.2-128.1-128.1 132.9 52.9 30.4 44.8 34 49 A L E + K 0 40C 0 -20,-2.2 78,-2.7 -2,-0.4 6,-0.2 -0.679 34.5 167.9 -75.4 117.8 56.6 31.0 45.5 35 50 A I E + 0 0 2 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.623 68.2 10.8-111.8 -15.4 57.1 30.1 49.2 36 51 A R E > S- K 0 39C 80 3,-1.6 3,-1.1 74,-0.1 -1,-0.3 -0.903 90.5 -98.4-143.2 167.4 61.0 30.0 49.5 37 52 A Q T 3 S+ 0 0 83 -2,-0.3 66,-2.6 1,-0.2 64,-0.1 0.781 128.5 30.0 -62.1 -20.1 63.5 31.2 46.8 38 53 A N T 3 S+ 0 0 44 64,-0.2 61,-2.2 62,-0.1 2,-0.4 0.187 111.1 73.1-123.5 20.1 63.7 27.5 45.8 39 54 A W E < -KL 36 98C 4 -3,-1.1 -4,-2.4 59,-0.2 -3,-1.6 -0.998 51.7-169.5-139.3 133.7 60.2 26.1 46.6 40 55 A V E -KL 34 97C 0 57,-2.1 57,-2.5 -2,-0.4 2,-0.5 -0.946 12.3-147.3-120.5 136.9 56.9 26.5 44.9 41 56 A M E +KL 33 96C 0 -8,-2.8 -8,-2.7 -2,-0.4 2,-0.2 -0.914 35.3 144.5-103.2 135.0 53.5 25.4 46.3 42 57 A T E - L 0 95C 0 53,-2.4 53,-2.5 -2,-0.5 2,-0.3 -0.787 52.1 -66.2-150.6-172.5 50.9 24.3 43.7 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.3 51,-0.3 4,-0.6 -0.682 34.0-135.0 -86.4 139.4 48.1 21.7 43.2 44 59 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.890 104.4 60.5 -61.8 -33.5 49.0 18.0 43.1 45 60 A H G >4 S+ 0 0 59 1,-0.3 3,-0.9 2,-0.2 -1,-0.3 0.677 93.6 66.3 -71.2 -13.1 46.7 17.4 40.1 46 61 A a G <4 S+ 0 0 10 -3,-1.3 3,-0.3 1,-0.2 -1,-0.3 0.771 106.5 40.8 -74.2 -27.5 48.8 19.9 38.1 47 62 A V G << S+ 0 0 14 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.023 81.9 107.5-111.3 29.4 51.8 17.6 38.2 48 63 A D < + 0 0 63 -3,-0.9 -1,-0.2 2,-0.1 2,-0.1 0.846 65.7 74.0 -71.3 -36.0 49.9 14.3 37.6 49 64 A R S S- 0 0 174 -3,-0.3 2,-1.7 -4,-0.2 0, 0.0 -0.444 92.6-116.4 -76.1 154.0 51.2 13.9 34.0 50 65 A E + 0 0 171 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.613 66.0 139.9 -93.0 79.3 54.8 12.9 33.5 51 66 A L - 0 0 59 -2,-1.7 2,-0.6 -4,-0.1 -29,-0.1 -0.654 61.5-102.6-115.5 166.6 55.8 16.1 31.8 52 67 A T - 0 0 87 -31,-0.4 -31,-2.0 -2,-0.2 2,-0.3 -0.885 47.1-164.7 -91.3 125.8 58.9 18.3 31.9 53 68 A F E -J 20 0C 12 -2,-0.6 21,-1.0 -33,-0.2 2,-0.3 -0.788 15.0-175.2-111.9 145.6 57.9 21.4 33.9 54 69 A R E -JM 19 73C 50 -35,-2.7 -35,-3.0 -2,-0.3 2,-0.4 -0.971 17.9-135.5-131.7 161.1 59.4 24.8 34.4 55 70 A V E -JM 18 72C 0 17,-2.6 17,-2.3 -2,-0.3 2,-0.5 -0.913 10.5-160.8-111.3 136.7 58.5 27.7 36.7 56 71 A V E -JM 17 71C 0 -39,-2.3 -39,-2.3 -2,-0.4 3,-0.3 -0.979 10.4-175.3-119.3 118.1 58.3 31.3 35.5 57 72 A V E + M 0 70C 1 13,-2.3 13,-2.0 -2,-0.5 52,-0.1 -0.692 68.9 33.5-102.8 159.2 58.5 34.0 38.2 58 73 A G S S+ 0 0 7 50,-0.6 10,-0.2 -43,-0.4 2,-0.2 0.662 87.4 152.2 70.3 14.3 58.1 37.8 37.5 59 74 A E + 0 0 18 -44,-0.3 -1,-0.2 -3,-0.3 3,-0.1 -0.516 16.6 149.3 -82.4 140.4 55.7 36.9 34.7 60 75 A H + 0 0 7 1,-0.3 85,-1.7 4,-0.2 2,-0.6 0.539 70.0 35.5-132.7 -56.5 52.9 39.1 33.6 61 76 A N B > -O 144 0D 13 3,-0.3 3,-1.5 83,-0.2 -1,-0.3 -0.936 66.4-155.8-104.7 114.0 52.1 38.6 29.9 62 77 A L T 3 S+ 0 0 36 81,-2.4 -1,-0.1 -2,-0.6 82,-0.1 0.782 91.2 45.2 -55.2 -29.7 52.6 34.9 28.9 63 78 A N T 3 S+ 0 0 115 80,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.207 110.8 44.3-104.6 5.3 53.2 35.8 25.3 64 79 A Q S < S- 0 0 122 -3,-1.5 2,-0.5 79,-0.2 -3,-0.3 -0.994 87.1 -93.1-148.3 158.2 55.7 38.7 25.4 65 80 A N - 0 0 130 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.538 31.7-178.4 -75.5 119.7 58.8 39.7 27.1 66 81 A N - 0 0 28 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.709 39.7-125.6 -84.3 -21.8 57.9 41.8 30.1 67 82 A G S S+ 0 0 58 -3,-0.1 -2,-0.1 2,-0.0 -8,-0.1 0.636 94.6 77.4 83.8 17.7 61.6 42.3 31.1 68 83 A T + 0 0 25 -10,-0.2 2,-0.1 -11,-0.1 -9,-0.1 0.381 65.1 114.0-134.8 -1.0 61.0 41.0 34.6 69 84 A E - 0 0 25 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.405 40.8-164.6 -86.7 149.9 60.9 37.1 34.3 70 85 A Q E -M 57 0C 46 -13,-2.0 -13,-2.3 -2,-0.1 2,-0.5 -0.997 10.2-153.5-129.3 138.4 63.1 34.4 35.6 71 86 A Y E +M 56 0C 109 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.945 19.6 170.5-115.8 125.4 62.9 30.9 34.2 72 87 A V E -M 55 0C 8 -17,-2.3 -17,-2.6 -2,-0.5 2,-0.1 -0.990 26.6-123.0-140.6 141.9 63.9 27.9 36.4 73 88 A G E -M 54 0C 29 -2,-0.3 27,-2.8 -19,-0.2 2,-0.6 -0.305 27.1-111.1 -78.8 166.7 63.6 24.2 36.0 74 89 A V E +N 99 0C 35 -21,-1.0 25,-0.2 25,-0.2 -21,-0.2 -0.879 29.7 177.9-104.4 118.5 62.0 21.8 38.5 75 90 A Q E + 0 0 112 23,-2.1 2,-0.3 -2,-0.6 24,-0.2 0.709 68.4 13.6 -90.8 -25.2 64.4 19.5 40.3 76 91 A K E -N 98 0C 91 22,-1.8 22,-2.6 2,-0.0 2,-0.5 -0.941 55.8-158.0-155.7 132.1 62.0 17.6 42.6 77 92 A I E -N 97 0C 70 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.957 10.4-175.5-110.1 124.1 58.2 17.2 42.9 78 93 A V E -N 96 0C 28 18,-3.1 18,-2.5 -2,-0.5 2,-0.2 -0.910 7.3-172.9-112.5 101.7 56.8 16.2 46.3 79 94 A V E -N 95 0C 53 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.571 42.4 -86.0 -91.2 160.6 53.0 15.5 46.1 80 95 A H > - 0 0 21 14,-1.7 3,-2.3 12,-0.4 -1,-0.1 -0.513 37.0-128.0 -58.1 129.1 51.0 14.9 49.3 81 96 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.700 107.7 54.0 -50.7 -21.9 51.2 11.0 50.1 82 97 A Y T 3 S+ 0 0 162 10,-0.1 2,-0.3 2,-0.0 11,-0.1 0.302 77.4 126.4 -98.6 3.0 47.4 11.0 50.3 83 98 A W < - 0 0 30 -3,-2.3 2,-0.5 9,-0.1 9,-0.1 -0.484 40.0-165.7 -65.7 128.4 46.6 12.5 47.0 84 99 A N > - 0 0 72 7,-0.5 3,-2.2 3,-0.4 6,-0.2 -0.937 13.5-158.0-121.3 114.2 44.3 10.5 44.8 85 100 A T T 3 S+ 0 0 84 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.872 95.7 51.5 -50.2 -45.2 44.0 11.4 41.1 86 101 A D T 3 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.460 114.0 45.6 -77.4 -2.0 40.6 9.8 40.8 87 102 A D X + 0 0 71 -3,-2.2 3,-1.2 4,-0.1 -3,-0.4 -0.610 50.5 157.1-136.9 76.8 39.2 11.7 43.8 88 103 A V G > S+ 0 0 46 -3,-0.3 3,-1.7 1,-0.2 5,-0.2 0.864 81.9 65.0 -68.1 -24.2 40.0 15.5 43.9 89 104 A A G 3 S+ 0 0 22 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.711 88.7 66.4 -67.4 -19.1 37.0 15.7 46.2 90 105 A A G < S- 0 0 38 -3,-1.2 -1,-0.3 1,-0.3 2,-0.2 0.616 104.0-138.0 -73.8 -15.5 38.9 13.6 48.8 91 106 A G < + 0 0 2 -3,-1.7 -7,-0.5 -4,-0.3 -1,-0.3 -0.569 68.0 115.0 96.3-162.8 41.3 16.5 49.2 92 107 A Y + 0 0 78 1,-0.2 2,-2.3 -2,-0.2 -12,-0.4 0.633 36.8 156.5 58.1 33.0 45.1 16.6 49.6 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.453 32.9 108.4 -87.2 76.3 45.5 18.5 46.3 94 109 A I + 0 0 0 -2,-2.3 -14,-1.7 -51,-0.3 2,-0.3 -0.999 39.3 178.0-150.4 143.1 48.8 20.1 47.1 95 110 A A E -LN 42 79C 0 -53,-2.5 -53,-2.4 -2,-0.3 2,-0.4 -0.997 18.0-142.0-149.2 147.9 52.3 19.6 45.9 96 111 A L E -LN 41 78C 0 -18,-2.5 -18,-3.1 -2,-0.3 2,-0.5 -0.933 13.8-162.2-112.8 139.6 55.7 21.2 46.6 97 112 A L E -LN 40 77C 1 -57,-2.5 -57,-2.1 -2,-0.4 2,-0.5 -0.963 6.9-150.9-122.0 117.9 58.2 21.7 43.9 98 113 A R E -LN 39 76C 31 -22,-2.6 -23,-2.1 -2,-0.5 -22,-1.8 -0.810 22.0-131.8 -95.9 133.9 61.9 22.4 44.5 99 114 A L E - 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