==== 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 SERINE PROTEASE 01-SEP-98 1BTU . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR R.C.WILMOUTH,I.J.CLIFTON,C.J.SCHOFIELD . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10888.0 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 . 83 34.6 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 . 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 . 30 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 3.8 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 1 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,-0.4 0.000 360.0 360.0 360.0 123.3 -11.5 33.3 35.8 2 17 A V B 3 +A 182 0A 10 180,-2.1 180,-1.8 1,-0.2 134,-0.1 -0.767 360.0 12.9 -87.4 135.7 -15.0 34.1 34.6 3 18 A G T 3 S+ 0 0 42 132,-0.7 -1,-0.2 -2,-0.4 178,-0.1 0.776 98.1 144.7 72.2 25.2 -16.3 37.6 35.3 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 131,-0.1 144,-0.2 -0.252 43.6-137.2 -89.4 177.1 -12.9 38.9 36.3 5 20 A T E -B 147 0B 83 142,-2.4 142,-2.6 -2,-0.1 2,-0.3 -0.934 38.0 -89.8-128.3 154.1 -11.0 42.2 35.9 6 21 A E E -B 146 0B 118 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.511 44.8-129.8 -69.2 125.6 -7.4 42.6 34.9 7 22 A A - 0 0 1 138,-2.4 138,-0.1 -2,-0.3 2,-0.1 -0.461 22.6-107.1 -68.5 142.3 -5.2 42.6 37.9 8 23 A Q > - 0 0 145 -2,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.480 38.4-108.6 -63.6 147.6 -2.6 45.4 38.4 9 24 A R T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.641 113.1 34.5 -53.2 -28.0 0.9 44.0 37.7 10 25 A N T 3 S+ 0 0 82 1,-0.1 -1,-0.3 99,-0.0 -2,-0.1 0.183 89.2 94.8-122.7 22.4 2.1 44.2 41.3 11 26 A S S < S+ 0 0 51 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.902 97.9 24.5 -72.3 -38.2 -1.1 43.3 43.2 12 27 A W > + 0 0 27 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.616 67.0 164.4-129.1 64.6 -0.5 39.6 43.5 13 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.2 0, 0.0 45,-0.3 0.615 71.7 63.0 -70.8 -7.7 3.3 39.0 43.3 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.7 97,-0.1 98,-0.2 0.588 78.7 107.4 -88.9 -8.7 3.1 35.4 44.7 15 30 A Q E < -I 33 0C 6 -3,-1.9 43,-0.5 18,-0.2 44,-0.3 -0.435 49.5-177.6 -68.6 136.3 1.0 34.2 41.7 16 31 A I E -I 32 0C 1 16,-1.9 16,-0.9 -2,-0.2 2,-0.5 -0.916 25.5-126.1-127.4 163.9 3.0 32.0 39.3 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-2.2 -2,-0.3 2,-0.5 -0.942 18.3-152.5-108.9 124.2 2.2 30.4 36.0 18 33 A L E +IJ 30 55C 0 12,-3.3 11,-3.0 -2,-0.5 12,-1.7 -0.900 24.1 179.4 -98.7 124.7 2.9 26.6 35.8 19 34 A Q E -IJ 28 54C 11 35,-2.6 35,-2.3 -2,-0.5 2,-0.3 -0.898 19.3-146.4-129.5 154.2 3.6 25.5 32.2 20 35 A Y E -IJ 27 53C 69 7,-2.3 7,-2.5 -2,-0.3 2,-0.3 -0.893 32.4 -98.8-120.5 153.6 4.5 22.3 30.4 21 36 A R E -I 26 0C 128 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.538 35.8-176.4 -71.5 132.3 6.7 21.8 27.4 22 36AA S E > -I 25 0C 54 3,-3.5 3,-2.3 -2,-0.3 2,-0.4 -0.861 56.5 -71.9-130.3 87.8 4.6 21.5 24.2 23 36BA G T 3 S- 0 0 69 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 -0.344 117.8 -8.4 59.1-110.7 7.0 20.7 21.3 24 36CA S T 3 S+ 0 0 122 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.660 134.8 52.2 -92.5 -9.9 8.9 23.9 20.6 25 37 A S E < S-I 22 0C 59 -3,-2.3 -3,-3.5 -5,-0.0 2,-0.3 -0.527 76.0-118.4-116.3-179.6 6.8 26.0 23.0 26 38 A W E -I 21 0C 65 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.940 22.7-154.5-120.3 142.1 5.5 26.1 26.5 27 39 A A E -I 20 0C 26 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.3 -0.975 18.4-120.9-123.3 134.6 1.8 26.1 27.5 28 40 A H E +I 19 0C 21 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.489 38.9 159.6 -66.0 134.4 0.1 27.4 30.7 29 41 A T E - 0 0 39 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.681 56.9 -4.9-124.8 -28.5 -1.7 24.7 32.5 30 42 A a E -I 18 0C 6 -12,-1.7 -12,-3.3 157,-0.1 -1,-0.4 -0.974 58.1-116.0-158.8 168.0 -2.2 25.9 36.1 31 43 A G E +I 17 0C 1 157,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.431 29.3 176.4-100.9-175.4 -1.5 28.6 38.7 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-1.9 -2,-0.1 2,-0.4 -0.934 28.0-111.6-171.0 177.6 0.5 28.3 41.9 33 45 A T E -IK 15 41C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.5 -0.995 22.8-130.8-126.3 122.4 1.8 30.4 44.9 34 46 A L E + K 0 40C 0 -20,-2.7 78,-3.0 -2,-0.4 6,-0.2 -0.666 36.2 164.4 -69.6 120.0 5.5 31.1 45.4 35 47 A I E + 0 0 2 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.575 65.4 16.7-117.8 -14.4 6.0 30.2 49.1 36 48 A R E > S- K 0 39C 83 3,-1.7 3,-1.3 74,-0.1 -1,-0.3 -0.888 89.4-101.4-139.7 165.6 9.8 30.0 49.4 37 49 A Q T 3 S+ 0 0 84 -2,-0.3 66,-2.6 1,-0.3 64,-0.1 0.750 127.4 27.7 -64.2 -16.9 12.4 31.4 46.9 38 50 A N T 3 S+ 0 0 49 64,-0.2 61,-2.5 1,-0.1 2,-0.4 0.113 112.8 76.8-124.7 22.9 12.7 27.8 45.7 39 51 A W E < -KL 36 98C 5 -3,-1.3 -4,-2.5 59,-0.2 -3,-1.7 -0.982 51.3-168.6-138.3 136.0 9.3 26.3 46.5 40 52 A V E -KL 34 97C 0 57,-2.3 57,-2.7 -2,-0.4 2,-0.5 -0.956 13.8-145.2-117.9 136.6 5.8 26.6 44.8 41 53 A M E +KL 33 96C 0 -8,-2.8 -8,-2.2 -2,-0.4 55,-0.2 -0.885 36.9 146.5 -94.4 125.0 2.5 25.5 46.3 42 54 A T E - L 0 95C 0 53,-2.8 53,-2.0 -2,-0.5 2,-0.3 -0.713 50.3 -71.6-141.6-172.0 0.0 24.2 43.7 43 55 A A > - 0 0 0 -12,-0.4 3,-1.0 51,-0.3 4,-0.3 -0.746 32.3-133.5 -88.3 142.4 -2.8 21.6 43.2 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-2.2 1,-0.2 -1,-0.1 0.884 106.5 60.4 -55.0 -41.8 -1.9 17.9 43.1 45 57 A H G > S+ 0 0 57 1,-0.3 3,-1.0 2,-0.2 4,-0.3 0.703 93.0 68.0 -67.0 -16.4 -4.1 17.4 40.0 46 58 A a G < S+ 0 0 10 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.701 105.7 39.5 -71.2 -20.1 -2.0 20.0 38.2 47 59 A V G < S+ 0 0 16 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.079 81.0 108.7-122.7 27.2 1.0 17.6 38.1 48 60 A D < + 0 0 54 -3,-1.0 2,-0.2 2,-0.1 -1,-0.1 0.858 65.4 74.8 -66.5 -37.7 -0.9 14.4 37.5 49 61 A R S S- 0 0 188 -4,-0.3 2,-2.4 -3,-0.2 0, 0.0 -0.537 90.6-119.5 -81.1 141.4 0.4 14.1 33.9 50 62 A E + 0 0 196 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.331 65.2 140.3 -78.2 63.3 4.0 13.0 33.4 51 63 A L - 0 0 69 -2,-2.4 2,-0.6 -4,-0.0 -31,-0.0 -0.434 61.3-103.0 -97.6 169.7 5.0 16.3 31.6 52 64 A T - 0 0 91 -31,-0.3 -31,-2.0 -2,-0.1 2,-0.3 -0.869 48.3-163.6 -89.6 124.1 8.1 18.6 31.7 53 65 A F E -J 20 0C 16 -2,-0.6 21,-1.4 -33,-0.2 2,-0.3 -0.815 18.3-179.0-115.3 152.0 7.1 21.6 33.8 54 65AA R E -JM 19 73C 48 -35,-2.3 -35,-2.6 -2,-0.3 2,-0.4 -0.949 19.3-135.8-134.6 159.3 8.5 25.1 34.4 55 66 A V E -JM 18 72C 0 17,-2.8 17,-2.3 -2,-0.3 2,-0.5 -0.954 10.1-158.7-110.7 137.0 7.4 27.9 36.7 56 67 A V E -JM 17 71C 0 -39,-2.2 -39,-2.0 -2,-0.4 3,-0.3 -0.979 10.5-173.6-113.5 119.0 7.2 31.6 35.6 57 68 A V E + M 0 70C 1 13,-2.2 13,-2.2 -2,-0.5 52,-0.1 -0.732 69.5 34.1-100.6 156.5 7.4 34.2 38.3 58 69 A G S S+ 0 0 6 50,-0.6 2,-0.4 -43,-0.5 10,-0.3 0.795 86.1 149.3 71.2 24.6 6.8 37.9 37.5 59 70 A E + 0 0 20 -44,-0.3 -1,-0.2 -3,-0.3 3,-0.1 -0.694 17.3 151.2 -94.6 137.9 4.3 37.0 34.8 60 71 A H S S+ 0 0 9 -2,-0.4 85,-1.9 1,-0.3 2,-0.5 0.655 70.8 36.4-126.5 -46.6 1.4 39.2 33.8 61 72 A N B > -O 144 0D 14 3,-0.3 3,-0.7 83,-0.2 -1,-0.3 -0.940 59.8-160.4-117.9 117.6 0.7 38.6 30.1 62 73 A L T 3 S+ 0 0 36 81,-2.5 -1,-0.1 -2,-0.5 82,-0.1 0.714 93.4 42.5 -68.1 -16.9 1.2 35.0 28.8 63 74 A N T 3 S+ 0 0 101 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.333 111.1 54.4-115.6 7.8 1.5 36.2 25.2 64 75 A Q S < S- 0 0 126 -3,-0.7 2,-0.5 79,-0.2 -3,-0.3 -0.982 85.9-103.7-136.6 151.1 3.7 39.3 25.6 65 76 A N - 0 0 137 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.566 31.4-176.9 -67.2 121.0 7.1 40.1 27.1 66 77 A N - 0 0 29 -2,-0.5 -1,-0.2 -5,-0.2 -4,-0.0 0.677 35.4-128.9 -92.9 -16.2 6.4 41.9 30.3 67 78 A G S S+ 0 0 59 -3,-0.1 -2,-0.1 1,-0.0 -8,-0.1 0.663 92.9 76.4 78.1 16.0 10.0 42.6 31.0 68 79 A T + 0 0 25 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.379 62.4 119.5-134.3 -2.1 9.7 41.1 34.5 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 40,-0.0 -11,-0.2 -0.300 38.4-165.6 -74.4 152.6 9.6 37.4 34.1 70 81 A Q E -M 57 0C 47 -13,-2.2 -13,-2.2 -2,-0.1 2,-0.4 -0.997 12.1-153.2-130.9 134.1 11.9 34.8 35.6 71 82 A Y E +M 56 0C 117 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.939 18.6 170.8-112.6 129.3 11.8 31.2 34.2 72 83 A V E -M 55 0C 7 -17,-2.3 -17,-2.8 -2,-0.4 -2,-0.0 -0.995 27.7-123.3-145.6 136.9 12.8 28.2 36.3 73 84 A G E -M 54 0C 32 -2,-0.3 27,-2.7 -19,-0.2 2,-0.6 -0.324 28.6-111.6 -73.8 160.7 12.6 24.5 35.9 74 85 A V E -N 99 0C 33 -21,-1.4 25,-0.2 25,-0.2 -21,-0.2 -0.846 31.7-179.8 -93.6 118.1 10.8 22.1 38.4 75 86 A Q E + 0 0 108 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.738 66.1 10.3 -92.2 -27.4 13.5 19.9 40.1 76 87 A K E -N 98 0C 80 22,-1.6 22,-2.6 2,-0.0 2,-0.5 -0.988 58.8-154.6-156.9 144.6 11.2 17.9 42.4 77 88 A I E -N 97 0C 66 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.987 6.7-172.7-125.8 121.6 7.5 17.3 42.8 78 89 A V E -N 96 0C 30 18,-3.0 18,-2.3 -2,-0.5 2,-0.2 -0.921 8.9-168.8-118.3 102.7 6.0 16.3 46.2 79 90 A V E -N 95 0C 47 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.632 39.7 -91.2 -83.3 147.6 2.3 15.4 45.9 80 91 A H > - 0 0 25 14,-2.2 3,-2.0 12,-0.3 -1,-0.1 -0.380 36.3-129.5 -55.6 131.5 0.3 14.9 49.1 81 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.671 104.5 53.1 -62.3 -15.9 0.5 11.2 49.9 82 93 A Y T 3 S+ 0 0 169 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.474 80.9 122.1 -97.2 1.5 -3.3 10.8 50.3 83 94 A W < - 0 0 33 -3,-2.0 2,-0.4 9,-0.2 9,-0.1 -0.398 38.2-174.6 -65.2 139.0 -4.2 12.4 46.9 84 95 A N > - 0 0 78 7,-0.4 3,-2.2 3,-0.3 6,-0.2 -0.956 18.7-151.5-136.4 113.1 -6.2 10.3 44.5 85 96 A T T 3 S+ 0 0 70 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.707 95.9 55.1 -62.7 -20.0 -6.8 11.6 40.9 86 97 A D T 3 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.362 110.9 46.8 -94.4 9.8 -10.1 9.7 40.5 87 98 A D X + 0 0 74 -3,-2.2 3,-1.7 4,-0.1 4,-0.3 -0.477 54.9 158.7-144.7 67.6 -11.5 11.2 43.7 88 99 A V G > S+ 0 0 46 -3,-0.3 3,-1.5 1,-0.3 5,-0.2 0.800 75.1 67.4 -63.6 -23.3 -11.0 15.0 43.8 89 99AA A G 3 S+ 0 0 19 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.635 86.3 68.1 -73.4 -13.0 -13.8 15.2 46.3 90 99BA A G < S- 0 0 37 -3,-1.7 -1,-0.3 1,-0.3 2,-0.2 0.680 100.9-141.1 -76.1 -17.5 -11.8 13.4 48.9 91 100 A G < + 0 0 4 -3,-1.5 -7,-0.4 -4,-0.3 -1,-0.3 -0.580 65.7 120.0 94.1-158.9 -9.5 16.4 49.2 92 101 A Y + 0 0 76 -2,-0.2 2,-2.0 1,-0.2 -12,-0.3 0.759 35.9 155.0 62.4 27.6 -5.7 16.4 49.5 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.3 -0.521 34.3 105.1 -88.3 80.2 -5.4 18.4 46.2 94 103 A I + 0 0 0 -2,-2.0 -14,-2.2 -51,-0.3 2,-0.3 -0.990 38.8 172.3-154.4 147.8 -2.1 20.0 47.0 95 104 A A E -LN 42 79C 0 -53,-2.0 -53,-2.8 -2,-0.3 2,-0.4 -0.970 21.7-134.9-153.1 157.0 1.5 19.6 46.0 96 105 A L E -LN 41 78C 0 -18,-2.3 -18,-3.0 -2,-0.3 2,-0.5 -0.963 12.2-156.7-119.3 137.1 4.8 21.3 46.4 97 106 A L E -LN 40 77C 0 -57,-2.7 -57,-2.3 -2,-0.4 2,-0.5 -0.953 7.5-149.0-112.6 119.8 7.4 22.0 43.7 98 107 A R E -LN 39 76C 53 -22,-2.6 -23,-2.7 -2,-0.5 -22,-1.6 -0.785 23.3-135.0 -84.4 125.7 11.0 22.5 44.5 99 108 A L E - 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