==== 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 04-FEB-94 1ESB . COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR X.DING,B.RASMUSSEN,G.A.PETSKO,D.RINGE . 241 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10749.0 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 . 80 33.2 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 . 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 . 28 11.6 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 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 . 4 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 A V > 0 0 0 0, 0.0 3,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 119.9 39.9 33.6 35.9 2 17 A V B 3 +A 182 0A 8 180,-2.2 180,-2.6 1,-0.2 134,-0.1 -0.787 360.0 11.5 -84.5 121.8 36.3 34.1 34.7 3 18 A G T 3 S+ 0 0 38 132,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.637 98.9 115.1 93.9 17.3 35.1 37.6 35.4 4 19 A G < - 0 0 28 -3,-0.6 2,-0.3 178,-0.1 144,-0.2 -0.253 52.5-121.8-108.6-165.0 38.2 39.5 36.5 5 20 A T E -B 147 0B 92 142,-1.9 142,-2.0 -2,-0.1 2,-0.1 -0.928 41.6 -78.2-136.2 150.7 40.5 42.4 35.5 6 21 A E E -B 146 0B 112 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.311 44.5-132.0 -53.7 124.2 44.2 42.7 34.6 7 22 A A - 0 0 3 138,-2.5 2,-0.1 -2,-0.1 138,-0.1 -0.430 25.7-105.4 -72.7 151.1 46.4 42.8 37.7 8 23 A Q > - 0 0 123 -2,-0.1 3,-1.8 1,-0.1 4,-0.4 -0.505 37.0-111.2 -71.2 151.5 49.1 45.5 37.9 9 24 A R T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.721 114.9 42.2 -66.9 -21.6 52.6 44.0 37.1 10 25 A N T 3 S+ 0 0 71 1,-0.1 -1,-0.3 99,-0.0 50,-0.0 0.209 92.7 92.7-102.4 11.8 53.9 44.5 40.6 11 26 A S S < S+ 0 0 44 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.951 90.5 25.7 -77.0 -51.5 50.7 43.4 42.4 12 27 A W > + 0 0 36 -4,-0.4 3,-1.2 1,-0.1 -1,-0.2 -0.749 66.5 167.2-119.8 80.9 51.0 39.7 43.0 13 28 A P T 3 S+ 0 0 31 0, 0.0 97,-2.1 0, 0.0 45,-0.3 0.412 72.9 58.4 -73.0 -15.8 54.9 38.9 43.2 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.4 97,-0.1 2,-0.2 0.391 82.0 110.0 -88.5 -12.9 54.6 35.4 44.7 15 30 A Q E < -I 33 0C 5 -3,-1.2 43,-0.6 18,-0.2 44,-0.3 -0.471 47.9-178.0 -71.7 129.3 52.5 34.3 41.7 16 31 A I E -IJ 32 57C 0 16,-1.7 16,-0.9 -2,-0.2 2,-0.4 -0.936 23.9-129.0-121.8 163.8 54.3 31.9 39.4 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.3 -2,-0.3 2,-0.6 -0.916 16.6-150.1-112.4 130.8 53.4 30.3 36.1 18 33 A L E +IJ 30 55C 0 12,-3.0 11,-2.5 -2,-0.4 12,-1.6 -0.922 24.2 175.9-109.6 122.7 53.9 26.5 35.9 19 34 A Q E -IJ 28 54C 9 35,-2.5 35,-2.3 -2,-0.6 2,-0.3 -0.820 17.4-150.7-126.9 158.8 54.6 25.4 32.4 20 35 A Y E -IJ 27 53C 67 7,-1.9 7,-2.0 -2,-0.3 2,-0.5 -0.907 29.8-100.1-129.3 156.8 55.5 22.1 30.7 21 36 A R E -I 26 0C 123 31,-1.9 2,-0.5 -2,-0.3 31,-0.3 -0.667 34.1-178.2 -85.0 125.1 57.5 21.3 27.6 22 37 A S E > -I 25 0C 47 3,-2.7 3,-2.3 -2,-0.5 2,-0.7 -0.926 67.5 -49.9-121.1 98.2 55.4 20.6 24.6 23 38 A G T 3 S- 0 0 60 -2,-0.5 -2,-0.0 1,-0.3 3,-0.0 -0.647 118.7 -33.4 74.5-112.1 57.6 19.7 21.6 24 39 A S T 3 S+ 0 0 119 -2,-0.7 -1,-0.3 -3,-0.1 2,-0.2 0.090 128.1 85.9-123.1 10.6 60.1 22.5 21.7 25 40 A S E < S-I 22 0C 67 -3,-2.3 -3,-2.7 2,-0.0 2,-0.4 -0.655 72.0-130.2-103.7 167.5 57.6 25.0 22.9 26 41 A W E -I 21 0C 89 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.997 21.5-165.4-125.8 125.7 56.5 25.8 26.5 27 42 A A E -I 20 0C 32 -7,-2.0 -7,-1.9 -2,-0.4 2,-0.2 -0.938 22.0-119.2-123.7 133.4 52.8 26.0 27.6 28 43 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.373 39.2 156.6 -62.9 127.7 51.1 27.3 30.7 29 44 A T E - 0 0 32 -11,-2.5 2,-0.3 1,-0.4 157,-0.2 0.672 59.1 -2.1-119.2 -43.2 49.2 24.6 32.6 30 45 A a E -I 18 0C 0 -12,-1.6 -12,-3.0 157,-0.1 -1,-0.4 -0.856 58.3-114.5-145.1 169.1 48.8 26.0 36.2 31 46 A G E +I 17 0C 2 157,-2.2 12,-0.4 -2,-0.3 2,-0.3 -0.312 28.7 176.7 -91.3-179.3 49.6 28.7 38.8 32 47 A G E -I 16 0C 0 -16,-0.9 -16,-1.7 10,-0.1 2,-0.4 -0.930 26.6-121.2-171.3 174.4 51.7 28.4 42.0 33 48 A T E -IK 15 41C 2 8,-1.7 8,-2.8 -2,-0.3 2,-0.4 -0.993 24.7-127.1-132.0 122.1 53.0 30.6 44.9 34 49 A L E + K 0 40C 0 -20,-2.4 78,-3.1 -2,-0.4 6,-0.2 -0.550 35.7 166.8 -63.6 117.3 56.8 31.1 45.5 35 50 A I E + 0 0 6 4,-2.4 2,-0.2 -2,-0.4 5,-0.2 0.725 68.7 15.3-112.2 -22.1 57.2 30.2 49.3 36 51 A R E > S- K 0 39C 97 3,-1.6 3,-0.7 75,-0.0 -1,-0.2 -0.801 88.5-104.1-128.7 171.8 61.1 29.9 49.4 37 52 A Q T 3 S+ 0 0 88 -2,-0.2 66,-2.3 1,-0.2 64,-0.1 0.779 127.7 31.8 -68.7 -24.9 63.6 31.1 46.8 38 53 A N T 3 S+ 0 0 37 64,-0.2 61,-1.9 62,-0.1 2,-0.4 0.139 112.0 70.8-116.1 25.0 63.8 27.5 45.8 39 54 A W E < -KL 36 98C 3 -3,-0.7 -4,-2.4 59,-0.2 -3,-1.6 -0.995 51.9-169.8-143.7 132.3 60.2 26.1 46.6 40 55 A V E -KL 34 97C 0 57,-2.0 57,-2.7 -2,-0.4 2,-0.5 -0.977 15.2-142.5-117.7 139.5 56.9 26.6 44.9 41 56 A M E +KL 33 96C 1 -8,-2.8 -8,-1.7 -2,-0.4 2,-0.2 -0.865 36.5 149.2 -99.7 129.7 53.5 25.5 46.2 42 57 A T E - L 0 95C 0 53,-2.5 53,-2.2 -2,-0.5 2,-0.2 -0.705 49.2 -75.3-145.0-175.2 51.1 24.3 43.6 43 58 A A >> - 0 0 0 -12,-0.4 4,-0.6 51,-0.3 3,-0.6 -0.533 32.9-131.7 -88.4 154.2 48.1 21.7 43.2 44 59 A A G >4 S+ 0 0 1 1,-0.2 3,-1.1 -2,-0.2 4,-0.1 0.918 105.3 59.7 -75.0 -34.2 48.9 18.0 43.1 45 60 A H G 34 S+ 0 0 17 1,-0.3 4,-0.3 2,-0.2 3,-0.2 0.593 95.3 67.6 -68.3 -8.8 46.7 17.4 40.0 46 61 A a G <4 S+ 0 0 9 -3,-0.6 3,-0.3 1,-0.2 -1,-0.3 0.828 107.3 35.8 -76.1 -36.1 48.9 19.9 38.2 47 62 A V S << S+ 0 0 16 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.062 84.5 107.8-111.2 22.8 51.9 17.6 38.3 48 63 A D + 0 0 67 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.960 66.7 73.4 -57.1 -53.5 50.0 14.4 37.8 49 64 A R S S- 0 0 180 -4,-0.3 2,-2.0 -3,-0.3 -3,-0.0 -0.202 93.7-112.9 -72.2 151.6 51.3 13.9 34.2 50 65 A E + 0 0 188 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.438 66.4 140.2 -88.2 72.7 54.8 12.9 33.5 51 66 A L - 0 0 46 -2,-2.0 2,-0.6 -4,-0.1 -29,-0.1 -0.564 60.1-107.0-111.1 160.1 55.9 16.1 31.9 52 67 A T - 0 0 73 -31,-0.3 -31,-1.9 -2,-0.2 2,-0.3 -0.848 45.4-163.6 -87.8 126.6 58.9 18.3 32.0 53 68 A F E -J 20 0C 11 -2,-0.6 21,-1.1 -33,-0.2 2,-0.3 -0.815 16.5-176.7-111.7 151.1 58.0 21.3 34.0 54 69 A R E -JM 19 73C 50 -35,-2.3 -35,-2.5 -2,-0.3 2,-0.4 -0.979 18.8-134.5-138.1 158.3 59.6 24.8 34.4 55 70 A V E -JM 18 72C 0 17,-2.6 17,-2.0 -2,-0.3 2,-0.5 -0.880 10.4-161.0-111.8 134.8 58.6 27.7 36.7 56 71 A V E -JM 17 71C 0 -39,-2.3 -39,-2.1 -2,-0.4 2,-0.3 -0.978 11.6-175.4-113.9 122.2 58.4 31.3 35.6 57 72 A V E +JM 16 70C 0 13,-2.3 13,-2.1 -2,-0.5 -41,-0.1 -0.799 67.0 28.7-110.5 159.9 58.5 34.0 38.3 58 73 A G S S+ 0 0 7 -43,-0.6 10,-0.2 50,-0.5 2,-0.2 0.699 87.3 149.9 65.1 21.6 58.1 37.8 37.8 59 74 A E + 0 0 17 -44,-0.3 -1,-0.3 -3,-0.2 3,-0.1 -0.561 16.2 154.0 -83.0 144.7 55.9 36.9 34.8 60 75 A H + 0 0 5 1,-0.3 85,-1.3 4,-0.2 2,-0.5 0.449 65.9 37.8-134.9 -56.3 53.1 39.2 33.7 61 76 A N B -O 144 0D 13 3,-0.3 -1,-0.3 83,-0.2 83,-0.2 -0.947 67.9-154.8-101.8 126.3 52.3 38.9 29.9 62 77 A L S S+ 0 0 37 81,-3.1 -1,-0.1 -2,-0.5 82,-0.1 0.864 90.0 35.6 -69.7 -33.6 52.6 35.3 28.8 63 78 A N S S+ 0 0 114 80,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.659 113.4 57.8 -96.4 -17.2 53.3 35.9 25.1 64 79 A Q S S- 0 0 131 79,-0.2 2,-0.5 -3,-0.1 -3,-0.3 -0.751 87.8-106.3-108.8 156.2 55.4 39.2 25.4 65 80 A N - 0 0 126 -2,-0.2 -3,-0.1 1,-0.2 -2,-0.1 -0.699 27.6-173.0 -77.9 132.3 58.7 39.8 27.2 66 81 A N - 0 0 32 -2,-0.5 -1,-0.2 -5,-0.2 -7,-0.0 0.712 37.6-125.0 -92.7 -20.0 58.0 42.0 30.3 67 82 A G S S+ 0 0 60 2,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.641 96.4 80.6 83.2 20.1 61.7 42.4 31.1 68 83 A T + 0 0 23 -10,-0.2 -9,-0.1 -11,-0.1 40,-0.1 0.386 62.9 117.8-132.1 -5.5 61.0 41.0 34.7 69 84 A E - 0 0 27 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.344 39.3-167.7 -77.6 149.2 60.9 37.1 34.2 70 85 A Q E -M 57 0C 48 -13,-2.1 -13,-2.3 -2,-0.1 2,-0.5 -0.989 9.0-158.7-133.4 126.9 63.1 34.5 35.6 71 86 A Y E +M 56 0C 119 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.912 17.6 166.9-113.4 130.7 62.9 30.9 34.3 72 87 A V E -M 55 0C 11 -17,-2.0 -17,-2.6 -2,-0.5 -2,-0.0 -0.994 29.9-119.8-144.1 140.5 64.1 28.0 36.3 73 88 A G E -M 54 0C 28 -2,-0.3 27,-3.0 -19,-0.2 2,-0.7 -0.273 26.1-115.4 -77.6 164.7 63.7 24.2 36.0 74 89 A V E +N 99 0C 31 -21,-1.1 25,-0.2 25,-0.2 -21,-0.2 -0.884 28.8 178.1-101.2 115.8 62.0 21.9 38.6 75 90 A Q E + 0 0 122 23,-1.9 2,-0.4 -2,-0.7 24,-0.2 0.841 67.7 20.2 -91.0 -29.3 64.4 19.4 40.1 76 91 A K E -N 98 0C 88 22,-1.6 22,-2.4 2,-0.0 2,-0.5 -0.994 59.0-159.6-138.9 138.2 62.0 17.6 42.7 77 92 A I E -N 97 0C 71 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.955 10.8-172.0-113.8 123.2 58.2 17.3 42.7 78 93 A V E -N 96 0C 31 18,-2.5 18,-2.9 -2,-0.5 2,-0.2 -0.916 6.3-173.5-121.5 106.2 56.8 16.3 46.2 79 94 A V E -N 95 0C 57 -2,-0.6 16,-0.2 16,-0.3 14,-0.1 -0.659 39.7 -85.2 -91.5 147.6 53.1 15.6 46.2 80 95 A H > - 0 0 21 14,-2.1 3,-2.1 12,-0.4 -1,-0.1 -0.373 37.6-127.4 -45.5 123.4 51.0 14.9 49.3 81 96 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.747 107.0 47.3 -31.9 -34.0 51.2 11.1 50.2 82 97 A Y T 3 S+ 0 0 162 10,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.280 78.2 126.1-105.8 3.4 47.4 10.8 50.3 83 98 A W < - 0 0 30 -3,-2.1 2,-0.4 9,-0.2 9,-0.1 -0.543 37.4-170.5 -65.3 134.1 46.6 12.6 47.0 84 99 A N > - 0 0 74 7,-0.5 3,-2.1 3,-0.3 6,-0.3 -0.942 16.8-156.2-134.4 116.0 44.4 10.4 44.7 85 100 A T T 3 S+ 0 0 76 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.792 92.0 60.4 -50.0 -42.5 43.7 11.5 41.2 86 101 A D T 3 S+ 0 0 151 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.473 112.9 42.8 -70.5 -3.4 40.4 9.6 40.8 87 102 A D X + 0 0 78 -3,-2.1 3,-1.3 4,-0.1 -3,-0.3 -0.560 52.2 161.0-140.8 78.2 39.0 11.6 43.7 88 103 A V G > S+ 0 0 38 -3,-0.4 3,-1.3 1,-0.2 5,-0.2 0.813 81.6 65.7 -67.6 -20.4 39.8 15.4 43.8 89 104 A A G 3 S+ 0 0 20 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.725 89.2 69.4 -72.2 -14.9 36.8 15.7 46.3 90 105 A A G < S- 0 0 35 -3,-1.3 -1,-0.3 -6,-0.3 -2,-0.2 0.712 98.8-145.0 -69.4 -27.7 38.9 13.7 48.6 91 106 A G < + 0 0 2 -3,-1.3 -7,-0.5 -4,-0.3 -1,-0.2 -0.496 64.7 117.1 95.3-162.1 41.4 16.5 49.1 92 107 A Y + 0 0 81 1,-0.2 2,-2.1 -2,-0.2 -12,-0.4 0.667 39.8 155.3 61.9 23.4 45.2 16.5 49.6 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.528 32.5 103.9 -81.9 78.3 45.4 18.4 46.3 94 109 A I + 0 0 0 -2,-2.1 -14,-2.1 -51,-0.3 2,-0.3 -0.973 40.9 177.0-157.5 144.0 48.8 20.1 47.1 95 110 A A E -LN 42 79C 0 -53,-2.2 -53,-2.5 -2,-0.3 2,-0.5 -0.981 20.6-132.5-150.9 159.7 52.4 19.6 46.0 96 111 A L E -LN 41 78C 0 -18,-2.9 -18,-2.5 -2,-0.3 2,-0.6 -0.945 12.5-162.4-126.5 124.2 55.8 21.2 46.4 97 112 A L E -LN 40 77C 0 -57,-2.7 -57,-2.0 -2,-0.5 2,-0.6 -0.871 6.3-155.3-105.7 112.6 58.3 21.9 43.7 98 113 A R E -LN 39 76C 34 -22,-2.4 -23,-1.9 -2,-0.6 -22,-1.6 -0.799 23.7-128.3 -94.1 133.9 61.8 22.5 44.5 99 114 A L E - 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