==== 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 PROTEASE) 22-NOV-94 1EAU . COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.CECCARELLI . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 62.9 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 . 80 33.3 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.0 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 . 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 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 124.3 -11.3 33.8 36.2 2 17 A V B 3 +A 182 0A 12 180,-2.5 180,-1.8 1,-0.2 134,-0.1 -0.815 360.0 18.2 -98.2 140.7 -14.8 34.6 35.0 3 18 A G T 3 S+ 0 0 42 132,-0.6 146,-0.2 -2,-0.4 -1,-0.2 0.754 98.5 140.1 74.2 23.1 -16.1 38.1 35.9 4 19 A G < - 0 0 24 -3,-0.5 2,-0.3 131,-0.1 144,-0.2 -0.348 44.5-143.1 -96.5 174.1 -12.6 39.4 36.6 5 20 A T E -B 147 0B 90 142,-2.2 142,-2.3 -2,-0.1 2,-0.2 -0.914 41.0 -84.3-129.6 155.7 -10.7 42.6 36.0 6 21 A E E -B 146 0B 118 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.449 45.5-130.5 -65.9 132.8 -7.1 42.9 35.1 7 22 A A - 0 0 0 138,-3.0 2,-0.1 -2,-0.2 138,-0.1 -0.549 22.8-108.4 -83.3 147.0 -4.8 42.9 38.1 8 23 A Q > - 0 0 128 -2,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.483 34.7-108.1 -71.6 150.2 -2.2 45.6 38.6 9 24 A R T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.699 113.2 34.1 -49.4 -35.7 1.4 44.3 38.1 10 25 A N T 3 S+ 0 0 78 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.140 90.3 96.2-113.3 23.7 2.5 44.5 41.7 11 26 A S S < S+ 0 0 48 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.879 95.9 20.1 -80.9 -38.5 -0.7 43.6 43.5 12 27 A W > + 0 0 26 -4,-0.4 3,-1.5 -3,-0.1 -1,-0.2 -0.598 66.3 167.7-134.3 72.3 -0.2 39.8 44.1 13 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.2 0, 0.0 45,-0.2 0.472 70.5 65.7 -67.1 -6.5 3.5 39.1 43.8 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.4 97,-0.1 98,-0.2 0.569 76.9 108.6 -89.8 -11.8 3.3 35.5 45.3 15 30 A Q E < -I 33 0C 8 -3,-1.5 43,-0.6 18,-0.2 44,-0.3 -0.387 49.4-173.9 -66.4 136.5 1.2 34.3 42.3 16 31 A I E -IJ 32 57C 1 16,-1.8 16,-0.8 41,-0.1 2,-0.5 -0.870 23.4-129.1-131.1 162.6 3.0 31.9 40.0 17 32 A S E -IJ 31 56C 0 39,-1.7 39,-2.2 -2,-0.3 2,-0.6 -0.982 17.3-151.4-113.3 122.8 2.3 30.3 36.6 18 33 A L E -IJ 30 55C 0 12,-2.8 11,-2.6 -2,-0.5 12,-1.5 -0.875 23.1-179.7 -95.2 119.5 2.9 26.5 36.5 19 34 A Q E -IJ 28 54C 12 35,-2.9 35,-2.7 -2,-0.6 2,-0.3 -0.948 15.4-161.3-124.4 144.8 3.8 25.5 33.0 20 35 A Y E -IJ 27 53C 55 7,-1.9 7,-2.9 -2,-0.4 2,-0.4 -0.849 34.2 -96.7-118.7 157.8 4.6 22.2 31.4 21 36 A R E +I 26 0C 117 31,-1.7 2,-0.4 -2,-0.3 31,-0.3 -0.618 38.3 176.5 -81.4 129.8 6.4 21.6 28.1 22 36AA S E > -I 25 0C 46 3,-3.0 3,-1.4 -2,-0.4 2,-0.5 -0.955 64.5 -42.5-132.1 108.8 4.3 21.0 25.0 23 36BA G T 3 S- 0 0 74 -2,-0.4 -2,-0.0 1,-0.3 3,-0.0 -0.597 121.5 -28.0 75.1-120.7 6.2 20.7 21.7 24 36CA S T 3 S+ 0 0 128 -2,-0.5 -1,-0.3 2,-0.1 2,-0.1 0.565 133.5 61.3-101.7 -14.5 9.0 23.3 21.7 25 37 A S E < S-I 22 0C 75 -3,-1.4 -3,-3.0 -4,-0.0 2,-0.3 -0.445 79.0-121.7-106.7 176.4 7.0 25.7 23.9 26 38 A W E -I 21 0C 63 -5,-0.3 2,-0.4 -2,-0.1 -5,-0.3 -0.897 22.8-149.8-118.0 148.9 5.6 25.6 27.4 27 39 A A E -I 20 0C 31 -7,-2.9 -7,-1.9 -2,-0.3 2,-0.2 -0.979 18.6-115.2-128.6 134.8 1.9 26.0 28.2 28 40 A H E +I 19 0C 21 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.431 42.0 157.9 -61.1 130.4 0.2 27.4 31.3 29 41 A T E + 0 0 40 -11,-2.6 2,-0.3 1,-0.4 159,-0.2 0.666 59.3 1.2-125.9 -27.3 -1.8 24.7 33.1 30 42 A a E -I 18 0C 4 -12,-1.5 -12,-2.8 157,-0.1 -1,-0.4 -0.916 58.8-124.7-154.8 167.0 -2.2 26.0 36.7 31 43 A G E +I 17 0C 0 157,-3.3 12,-0.3 -2,-0.3 2,-0.3 -0.407 29.8 176.5-102.1-168.4 -1.4 28.8 39.1 32 44 A G E -I 16 0C 0 -16,-0.8 -16,-1.8 -2,-0.2 2,-0.4 -0.959 26.9-108.1-178.7 177.0 0.4 28.5 42.5 33 45 A T E -IK 15 41C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.5 -0.996 21.6-132.4-129.4 128.0 1.8 30.5 45.5 34 46 A L E + K 0 40C 1 -20,-2.4 78,-2.8 -2,-0.4 6,-0.2 -0.686 34.2 164.3 -76.0 121.7 5.5 31.1 46.3 35 47 A I E + 0 0 6 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.534 67.6 18.0-115.2 -15.5 5.8 30.2 50.0 36 48 A R E > S- K 0 39C 82 3,-1.6 3,-1.5 74,-0.1 -1,-0.4 -0.932 90.2-101.4-146.9 158.2 9.6 29.9 50.2 37 49 A Q T 3 S+ 0 0 83 -2,-0.3 66,-2.7 1,-0.3 64,-0.1 0.683 127.2 24.3 -57.1 -17.9 12.2 31.2 47.8 38 50 A N T 3 S+ 0 0 53 64,-0.2 61,-2.7 1,-0.1 2,-0.4 0.127 112.0 79.2-134.8 20.7 12.4 27.7 46.5 39 51 A W E < -KL 36 98C 7 -3,-1.5 -4,-2.5 59,-0.2 -3,-1.6 -0.999 51.8-170.0-135.1 132.7 9.0 26.2 47.4 40 52 A V E -KL 34 97C 0 57,-2.3 57,-2.7 -2,-0.4 2,-0.5 -0.931 12.5-146.3-122.4 142.0 5.7 26.6 45.6 41 53 A M E +KL 33 96C 0 -8,-2.6 -8,-2.2 -2,-0.4 2,-0.2 -0.947 34.8 145.4-108.3 128.9 2.3 25.5 46.9 42 54 A T E - L 0 95C 0 53,-2.5 53,-1.9 -2,-0.5 2,-0.4 -0.705 51.0 -67.4-145.5-171.9 -0.2 24.3 44.2 43 55 A A >> - 0 0 0 -12,-0.3 3,-1.8 51,-0.2 4,-0.8 -0.746 34.1-131.9 -89.6 141.7 -3.1 21.8 43.8 44 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.2 1,-0.3 4,-0.2 0.929 106.0 60.5 -56.5 -42.4 -2.3 18.0 43.7 45 57 A H G 34 S+ 0 0 58 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.555 95.4 63.2 -65.4 -8.8 -4.4 17.6 40.6 46 58 A a G <4 S+ 0 0 10 -3,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.848 109.6 37.1 -81.9 -35.4 -2.1 20.0 38.7 47 59 A V S << S+ 0 0 11 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.102 83.8 102.5-107.2 23.7 1.0 17.8 39.0 48 60 A D + 0 0 57 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.900 65.4 83.9 -70.0 -40.9 -0.6 14.4 38.7 49 61 A R S S- 0 0 153 -3,-0.3 2,-2.6 -4,-0.2 -3,-0.0 -0.348 88.4-118.9 -71.4 142.8 0.6 14.0 35.1 50 62 A E + 0 0 187 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.454 68.7 134.3 -76.0 69.9 4.1 12.8 34.2 51 63 A L - 0 0 54 -2,-2.6 2,-0.6 -4,-0.1 -29,-0.1 -0.655 64.7-105.9-115.2 168.5 5.0 16.1 32.5 52 64 A T - 0 0 82 -31,-0.3 -31,-1.7 -2,-0.2 2,-0.3 -0.893 45.9-163.7 -94.0 127.5 8.0 18.3 32.7 53 65 A F E -J 20 0C 12 -2,-0.6 21,-1.2 -33,-0.2 2,-0.3 -0.786 16.0-175.7-114.7 156.0 7.1 21.4 34.7 54 65AA R E -JM 19 73C 58 -35,-2.7 -35,-2.9 -2,-0.3 2,-0.4 -0.969 18.6-135.6-143.4 153.2 8.5 24.9 35.2 55 66 A V E -JM 18 72C 0 17,-3.2 17,-2.7 -2,-0.3 2,-0.5 -0.930 11.3-160.8-112.0 133.0 7.5 27.8 37.4 56 67 A V E -JM 17 71C 0 -39,-2.2 -39,-1.7 -2,-0.4 3,-0.3 -0.974 11.8-173.5-115.9 116.8 7.4 31.4 36.1 57 68 A V E +JM 16 70C 2 13,-2.6 13,-2.0 -2,-0.5 -41,-0.1 -0.818 66.1 33.9-106.5 153.4 7.5 34.1 38.8 58 69 A G S S+ 0 0 5 -43,-0.6 2,-0.3 50,-0.5 10,-0.2 0.716 85.2 153.6 77.0 22.5 7.0 37.8 38.2 59 70 A E + 0 0 20 -3,-0.3 -1,-0.3 -44,-0.3 3,-0.1 -0.631 17.1 151.1 -89.1 136.2 4.6 37.0 35.4 60 71 A H S S+ 0 0 9 1,-0.5 85,-1.6 -2,-0.3 2,-0.5 0.581 71.1 32.6-127.2 -51.3 1.9 39.4 34.3 61 72 A N B > -O 144 0D 15 3,-0.3 3,-0.8 83,-0.2 -1,-0.5 -0.961 67.4-153.0-112.7 124.7 1.1 38.8 30.6 62 73 A L T 3 S+ 0 0 40 81,-3.2 -1,-0.1 -2,-0.5 82,-0.1 0.918 91.4 39.2 -65.3 -39.5 1.6 35.2 29.4 63 74 A N T 3 S+ 0 0 95 80,-0.2 2,-0.3 2,-0.1 -1,-0.2 -0.140 110.0 58.7-108.5 44.0 2.4 36.0 25.8 64 75 A Q S < S- 0 0 120 -3,-0.8 2,-0.4 79,-0.1 -3,-0.3 -0.944 85.8 -99.8-165.9 139.8 4.6 39.1 26.1 65 76 A N + 0 0 135 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.1 -0.491 31.2 178.1 -67.6 122.0 7.8 40.1 27.7 66 77 A N - 0 0 24 -2,-0.4 -1,-0.2 -5,-0.2 -4,-0.0 0.577 39.6-129.2 -94.9 -16.7 7.1 42.0 31.0 67 78 A G S S+ 0 0 57 1,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.668 92.8 78.1 74.8 15.6 10.8 42.4 31.7 68 79 A T + 0 0 28 -10,-0.2 -9,-0.1 40,-0.0 40,-0.1 0.377 61.4 117.8-134.8 4.2 10.3 41.0 35.2 69 80 A E - 0 0 29 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.361 39.0-166.7 -81.0 152.4 9.9 37.2 34.9 70 81 A Q E -M 57 0C 44 -13,-2.0 -13,-2.6 -2,-0.1 2,-0.6 -0.991 11.7-152.3-133.2 129.5 12.2 34.5 36.4 71 82 A Y E +M 56 0C 122 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.939 18.4 177.9-109.0 118.7 11.8 31.0 35.0 72 83 A V E -M 55 0C 16 -17,-2.7 -17,-3.2 -2,-0.6 2,-0.1 -0.928 23.4-125.6-122.5 146.2 12.8 28.2 37.4 73 84 A G E -M 54 0C 34 -2,-0.3 27,-2.7 -19,-0.2 2,-0.7 -0.479 22.8-117.9 -86.1 160.1 12.6 24.4 37.0 74 85 A V E +N 99 0C 32 -21,-1.2 25,-0.3 25,-0.2 -21,-0.2 -0.869 32.0 173.6 -99.8 114.7 10.8 22.0 39.3 75 86 A Q E + 0 0 115 23,-2.6 2,-0.3 -2,-0.7 24,-0.2 0.579 65.2 22.3 -99.2 -8.8 13.2 19.6 41.0 76 87 A K E -N 98 0C 81 22,-1.3 22,-3.3 2,-0.0 2,-0.5 -0.921 57.8-162.7-158.5 130.1 10.9 17.8 43.4 77 88 A I E -N 97 0C 67 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.966 5.8-173.8-116.0 129.1 7.1 17.3 43.7 78 89 A V E -N 96 0C 28 18,-2.7 18,-2.3 -2,-0.5 2,-0.2 -0.884 8.3-169.8-125.7 94.9 5.6 16.2 47.0 79 90 A V E -N 95 0C 44 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.500 39.8 -86.9 -80.3 153.1 1.9 15.5 46.6 80 91 A H > - 0 0 21 14,-1.9 3,-2.5 12,-0.4 -1,-0.1 -0.467 35.0-128.4 -63.3 130.8 -0.2 15.0 49.8 81 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.747 107.2 48.6 -48.5 -33.9 -0.1 11.2 50.9 82 93 A Y T 3 S+ 0 0 167 10,-0.1 2,-0.1 2,-0.1 11,-0.1 0.388 80.8 123.0 -91.5 1.3 -3.9 11.0 51.0 83 94 A W < - 0 0 25 -3,-2.5 2,-0.5 9,-0.2 9,-0.1 -0.454 46.4-158.1 -65.8 139.9 -4.6 12.6 47.6 84 95 A N > - 0 0 73 7,-0.5 3,-0.7 3,-0.4 6,-0.2 -0.953 11.4-145.7-126.0 106.3 -6.6 10.3 45.4 85 96 A T T 3 S+ 0 0 97 -2,-0.5 2,-1.5 1,-0.3 -1,-0.2 0.827 100.2 50.0 -31.9 -58.6 -6.3 11.1 41.6 86 97 A D T 3 S+ 0 0 125 1,-0.2 -1,-0.3 -3,-0.1 3,-0.0 -0.265 105.8 72.5 -80.8 51.7 -9.9 10.2 40.9 87 98 A D X> + 0 0 57 -2,-1.5 3,-0.7 -3,-0.7 4,-0.7 -0.149 29.9 149.7-171.3 71.5 -11.1 12.4 43.7 88 99 A V G >4 S+ 0 0 44 1,-0.2 3,-1.2 2,-0.2 5,-0.2 0.928 87.1 59.3 -69.5 -36.9 -11.2 16.1 43.9 89 99AA A G 34 S+ 0 0 29 1,-0.3 -1,-0.2 79,-0.1 -2,-0.1 0.621 96.7 59.2 -65.8 -17.7 -14.2 15.8 46.2 90 99BA A G <4 S- 0 0 38 -3,-0.7 -1,-0.3 1,-0.3 2,-0.2 0.720 101.7-143.7 -82.6 -25.2 -12.3 13.7 48.8 91 100 A G << + 0 0 3 -3,-1.2 -7,-0.5 -4,-0.7 -1,-0.3 -0.606 66.0 119.7 101.2-159.0 -9.8 16.5 49.3 92 101 A Y + 0 0 78 -2,-0.2 2,-2.4 1,-0.2 -12,-0.4 0.674 39.1 156.5 62.5 23.0 -6.1 16.6 50.0 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 -1,-0.2 -0.452 31.7 109.1 -78.7 71.6 -5.7 18.5 46.8 94 103 A I + 0 0 0 -2,-2.4 -14,-1.9 -51,-0.3 2,-0.3 -0.991 38.6 174.9-150.0 143.4 -2.4 20.1 47.7 95 104 A A E -LN 42 79C 0 -53,-1.9 -53,-2.5 -2,-0.3 2,-0.4 -0.987 19.1-143.2-150.8 144.9 1.1 19.6 46.6 96 105 A L E -LN 41 78C 0 -18,-2.3 -18,-2.7 -2,-0.3 2,-0.5 -0.944 14.0-157.5-112.6 135.5 4.5 21.3 47.3 97 106 A L E -LN 40 77C 0 -57,-2.7 -57,-2.3 -2,-0.4 2,-0.5 -0.959 7.7-145.5-117.8 126.7 7.1 21.8 44.5 98 107 A R E -LN 39 76C 48 -22,-3.3 -23,-2.6 -2,-0.5 -22,-1.3 -0.789 21.0-137.2 -88.4 125.7 10.8 22.2 45.2 99 108 A L E - 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