==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 19-MAR-93 1JIM . COMPND 2 MOLECULE: PORCINE PANCREATIC ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA DOMESTICA; . AUTHOR E.MEYER . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10869.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 63.3 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 . 19 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.2 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,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 115.3 -11.3 33.7 35.9 2 17 A V B 3 +A 182 0A 10 180,-2.8 180,-2.0 1,-0.2 134,-0.1 -0.768 360.0 6.4 -80.7 129.9 -14.9 34.5 34.9 3 18 A G T 3 S+ 0 0 42 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.777 98.3 141.9 69.6 31.7 -16.0 38.0 35.3 4 19 A G < - 0 0 25 -3,-0.6 2,-0.3 131,-0.2 144,-0.2 -0.357 44.7-131.9-101.3-178.4 -12.7 39.4 36.3 5 20 A T E -B 147 0B 92 142,-2.3 142,-3.2 -2,-0.1 2,-0.2 -0.910 39.2 -90.4-124.7 151.9 -10.6 42.6 35.8 6 21 A E E -B 146 0B 111 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.460 46.1-128.2 -59.3 132.2 -7.0 42.8 34.8 7 22 A A - 0 0 3 138,-3.0 138,-0.1 -2,-0.2 2,-0.1 -0.498 22.8-104.6 -75.6 149.6 -4.8 42.9 37.9 8 23 A Q > - 0 0 140 -2,-0.1 3,-1.6 1,-0.1 4,-0.4 -0.448 39.1-109.1 -66.7 149.7 -2.1 45.6 38.4 9 24 A R T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.595 114.1 33.9 -50.5 -38.0 1.4 44.2 37.7 10 25 A N T 3 S+ 0 0 80 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.177 90.1 96.4-106.4 9.7 2.5 44.2 41.2 11 26 A S S < S+ 0 0 49 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.868 94.8 25.7 -68.0 -42.7 -0.7 43.4 43.1 12 27 A W > + 0 0 29 -4,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.690 65.7 165.4-122.4 63.4 -0.2 39.7 43.5 13 28 A P T 3 S+ 0 0 34 0, 0.0 97,-1.0 0, 0.0 45,-0.3 0.546 70.6 64.3 -73.7 -3.6 3.5 38.9 43.5 14 29 A S T 3 S+ 0 0 7 95,-0.2 20,-2.6 97,-0.1 98,-0.2 0.602 78.7 110.3 -88.3 -7.0 3.2 35.4 45.0 15 30 A Q E < -I 33 0C 7 -3,-1.7 43,-0.6 18,-0.2 44,-0.3 -0.422 48.3-173.3 -68.2 131.0 1.2 34.2 41.9 16 31 A I E -IJ 32 57C 0 16,-1.9 16,-0.8 41,-0.1 2,-0.5 -0.934 24.2-128.5-119.1 156.9 3.0 31.8 39.6 17 32 A S E -IJ 31 56C 0 39,-2.6 39,-2.7 -2,-0.3 2,-0.6 -0.890 19.1-151.4 -97.3 122.5 2.3 30.3 36.2 18 33 A L E -IJ 30 55C 0 12,-3.2 11,-3.5 -2,-0.5 12,-1.3 -0.879 24.7-177.5 -92.3 116.2 2.6 26.4 36.2 19 34 A Q E -IJ 28 54C 10 35,-2.9 35,-3.0 -2,-0.6 2,-0.3 -0.965 18.3-153.5-120.9 144.3 3.6 25.4 32.7 20 35 A Y E -IJ 27 53C 70 7,-2.1 7,-2.3 -2,-0.4 2,-0.3 -0.750 32.1-103.6-115.5 155.4 4.2 22.1 30.8 21 36 A R E -I 26 0C 123 31,-1.8 2,-0.5 -2,-0.3 31,-0.3 -0.672 35.7-171.7 -83.7 116.1 6.4 21.4 27.7 22 36AA S E > -I 25 0C 56 3,-3.7 3,-1.8 -2,-0.3 2,-0.7 -0.910 59.7 -59.1-120.1 78.7 4.1 21.1 24.8 23 36BA G T 3 S- 0 0 63 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.604 120.5 -20.4 81.2-109.9 6.1 19.9 21.8 24 36CA S T 3 S+ 0 0 132 -2,-0.7 -1,-0.3 -3,-0.1 2,-0.2 0.152 133.0 64.1-111.8 11.3 8.7 22.5 21.4 25 37 A S E < S-I 22 0C 73 -3,-1.8 -3,-3.7 -5,-0.0 2,-0.4 -0.704 76.6-118.1-126.4 179.1 6.7 25.2 23.3 26 38 A W E -I 21 0C 85 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.972 23.8-164.8-122.9 130.1 5.4 25.8 26.9 27 39 A A E -I 20 0C 31 -7,-2.3 -7,-2.1 -2,-0.4 2,-0.2 -0.953 24.5-113.8-115.6 146.4 1.7 26.1 27.7 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.416 40.3 160.8 -71.0 135.5 0.1 27.4 30.9 29 41 A T E - 0 0 45 -11,-3.5 157,-0.3 1,-0.4 2,-0.3 0.725 55.6 -3.4-117.0 -37.6 -1.8 24.8 32.8 30 42 A a E -I 18 0C 4 -12,-1.3 -12,-3.2 157,-0.1 -1,-0.4 -0.976 57.3-117.6-145.0 160.6 -2.3 26.0 36.4 31 43 A G E +I 17 0C 2 157,-2.1 12,-0.4 -2,-0.3 2,-0.3 -0.399 30.7 170.3 -92.5-174.5 -1.7 28.6 38.9 32 44 A G E -I 16 0C 0 -16,-0.8 -16,-1.9 10,-0.1 2,-0.4 -0.926 29.1-111.3-171.9-177.2 0.3 28.3 42.2 33 45 A T E -IK 15 41C 1 8,-2.4 8,-2.5 -2,-0.3 2,-0.4 -0.993 23.4-127.7-132.6 128.8 1.7 30.3 45.1 34 46 A L E + K 0 40C 0 -20,-2.6 78,-3.2 -2,-0.4 6,-0.2 -0.555 35.4 166.6 -71.9 118.5 5.4 30.8 45.8 35 47 A I E + 0 0 7 4,-2.4 2,-0.3 -2,-0.4 5,-0.2 0.665 66.3 16.4-113.7 -23.0 5.7 29.9 49.4 36 48 A R E > S- K 0 39C 97 3,-2.1 3,-1.3 74,-0.1 -1,-0.4 -0.869 87.2-103.4-142.2 158.1 9.5 29.6 49.7 37 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.1 1,-0.3 64,-0.1 0.801 128.5 28.1 -58.6 -12.9 12.2 31.0 47.3 38 50 A N T 3 S+ 0 0 33 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.077 114.1 72.0-126.5 15.0 12.4 27.3 46.2 39 51 A W E < -KL 36 98C 4 -3,-1.3 -4,-2.4 59,-0.2 -3,-2.1 -0.999 51.3-168.3-140.0 137.6 8.9 25.9 46.9 40 52 A V E -KL 34 97C 0 57,-1.9 57,-3.1 -2,-0.4 2,-0.4 -0.939 13.2-145.5-120.9 141.8 5.5 26.4 45.2 41 53 A M E +KL 33 96C 0 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.2 -0.924 36.8 141.1-104.3 127.9 2.1 25.3 46.5 42 54 A T E - L 0 95C 0 53,-2.3 53,-2.5 -2,-0.4 2,-0.4 -0.729 52.9 -68.7-144.5-166.4 -0.5 24.1 43.9 43 55 A A > - 0 0 0 -12,-0.4 3,-1.7 51,-0.3 4,-0.5 -0.830 30.1-132.3 -95.0 140.1 -3.2 21.5 43.5 44 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.7 1,-0.3 4,-0.3 0.811 106.3 67.4 -48.4 -44.3 -2.3 17.8 43.2 45 57 A H G > S+ 0 0 88 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.762 91.7 61.0 -50.1 -30.5 -4.7 17.7 40.2 46 58 A a G < S+ 0 0 12 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.703 108.7 43.2 -77.1 -23.0 -2.3 20.0 38.2 47 59 A V G < S+ 0 0 16 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.245 75.9 106.4-113.9 24.0 0.5 17.3 38.5 48 60 A D S < S+ 0 0 46 -3,-0.8 2,-0.3 -4,-0.3 -1,-0.1 0.817 70.7 74.2 -64.9 -32.8 -1.4 14.1 37.8 49 61 A R S S- 0 0 188 -4,-0.3 2,-1.5 -3,-0.2 0, 0.0 -0.622 87.0-127.1 -85.0 140.6 0.2 13.9 34.3 50 62 A E + 0 0 197 -2,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.695 60.9 135.3 -90.9 80.1 3.8 13.0 34.0 51 63 A L - 0 0 72 -2,-1.5 2,-0.4 -4,-0.1 -29,-0.1 -0.702 64.8 -94.2-116.0 168.7 4.9 16.0 31.9 52 64 A T - 0 0 71 -31,-0.3 -31,-1.8 -2,-0.2 2,-0.4 -0.785 49.6-163.5 -96.6 126.3 7.8 18.3 32.2 53 65 A F E -J 20 0C 12 -2,-0.4 21,-1.3 -33,-0.2 2,-0.3 -0.911 13.1-172.2-115.3 147.1 6.8 21.3 34.2 54 65AA R E -JM 19 73C 53 -35,-3.0 -35,-2.9 -2,-0.4 2,-0.5 -0.917 17.5-131.7-134.1 158.3 8.2 24.8 34.7 55 66 A V E -JM 18 72C 0 17,-3.6 17,-2.7 -2,-0.3 2,-0.5 -0.972 11.0-160.8-106.2 132.1 7.5 27.7 37.0 56 67 A V E -JM 17 71C 0 -39,-2.7 -39,-2.6 -2,-0.5 2,-0.3 -0.940 10.2-174.3-112.3 110.1 7.1 31.3 35.9 57 68 A V E +JM 16 70C 1 13,-2.0 13,-2.5 -2,-0.5 -41,-0.1 -0.777 69.5 26.3 -94.9 145.1 7.5 33.9 38.6 58 69 A G S S+ 0 0 6 -43,-0.6 2,-0.3 50,-0.5 10,-0.3 0.701 84.6 157.9 73.7 28.6 6.8 37.7 37.9 59 70 A E + 0 0 17 -44,-0.3 -1,-0.2 -3,-0.3 3,-0.1 -0.586 15.4 149.7 -87.9 134.0 4.5 36.8 35.1 60 71 A H S S+ 0 0 7 1,-0.3 85,-1.3 -2,-0.3 2,-0.6 0.557 70.1 34.5-118.0 -59.8 1.9 39.3 34.1 61 72 A N B > -O 144 0D 10 3,-0.4 3,-1.2 83,-0.2 -1,-0.3 -0.961 64.6-156.1-101.4 121.7 1.2 38.7 30.2 62 73 A L T 3 S+ 0 0 32 81,-3.6 -1,-0.1 -2,-0.6 82,-0.1 0.771 93.5 40.0 -60.6 -31.8 1.5 35.1 29.2 63 74 A N T 3 S+ 0 0 110 80,-0.3 2,-0.4 2,-0.1 -1,-0.3 0.195 111.6 57.2-103.3 4.6 2.2 36.0 25.6 64 75 A Q S < S- 0 0 117 -3,-1.2 2,-0.4 79,-0.2 -3,-0.4 -0.997 83.7-104.9-140.9 153.0 4.6 39.0 26.0 65 76 A N - 0 0 127 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.1 -0.567 28.3-176.2 -81.8 116.8 7.8 39.8 27.6 66 77 A N - 0 0 26 -2,-0.4 -1,-0.2 -5,-0.1 -4,-0.0 0.568 39.6-124.7 -85.5 -14.1 7.1 41.8 30.8 67 78 A G S S+ 0 0 62 -3,-0.0 -2,-0.1 2,-0.0 -9,-0.0 0.409 98.7 79.8 77.5 2.5 10.9 42.3 31.5 68 79 A T + 0 0 25 -10,-0.3 2,-0.2 40,-0.0 40,-0.1 0.328 63.2 123.1-118.9 -5.4 10.1 40.8 35.1 69 80 A E - 0 0 25 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.517 36.4-170.3 -63.8 138.3 10.0 37.0 34.4 70 81 A Q E -M 57 0C 42 -13,-2.5 -13,-2.0 -2,-0.2 2,-0.5 -0.983 11.1-154.4-121.5 133.3 12.0 34.3 36.1 71 82 A Y E +M 56 0C 109 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 18.0 177.7-108.7 116.2 11.8 30.7 34.6 72 83 A V E -M 55 0C 5 -17,-2.7 -17,-3.6 -2,-0.5 2,-0.0 -0.997 23.3-127.5-128.1 136.8 12.5 27.9 37.0 73 84 A G E -M 54 0C 30 -2,-0.4 27,-2.6 -19,-0.2 2,-0.5 -0.297 24.8-117.3 -71.3 152.6 12.5 24.0 36.5 74 85 A V E +N 99 0C 34 -21,-1.3 25,-0.2 25,-0.2 -21,-0.2 -0.830 30.9 178.4 -90.6 124.0 10.6 21.6 38.9 75 86 A Q E + 0 0 110 23,-3.5 2,-0.4 -2,-0.5 24,-0.2 0.806 64.9 7.3 -98.6 -32.9 13.0 19.3 40.6 76 87 A K E -N 98 0C 96 22,-1.4 22,-2.5 2,-0.0 2,-0.4 -0.995 60.6-153.1-148.4 137.1 10.7 17.2 42.9 77 88 A I E -N 97 0C 73 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.971 9.2-172.8-115.0 132.1 6.9 17.0 43.1 78 89 A V E -N 96 0C 27 18,-2.1 18,-2.2 -2,-0.4 2,-0.3 -0.961 6.8-171.6-126.9 100.7 5.3 15.9 46.4 79 90 A V E -N 95 0C 50 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.628 41.2 -85.7 -89.3 153.3 1.6 15.3 46.3 80 91 A H > - 0 0 21 14,-2.0 3,-1.8 12,-0.3 -1,-0.1 -0.390 37.1-129.0 -60.6 127.4 -0.5 14.8 49.3 81 92 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.715 106.8 49.2 -49.1 -28.2 -0.4 11.0 50.2 82 93 A Y T 3 S+ 0 0 159 10,-0.1 2,-0.3 2,-0.0 -2,-0.1 0.196 82.0 120.1 -93.6 0.6 -4.2 10.7 50.4 83 94 A W < - 0 0 26 -3,-1.8 2,-0.5 9,-0.1 9,-0.1 -0.647 42.8-169.4 -67.3 134.1 -4.9 12.5 47.0 84 95 A N > - 0 0 75 7,-0.5 3,-2.7 3,-0.3 6,-0.2 -0.947 21.6-147.0-133.0 119.4 -6.8 10.4 44.7 85 96 A T T 3 S+ 0 0 77 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.683 99.2 53.8 -42.3 -33.8 -7.2 11.4 41.0 86 97 A D T 3 S+ 0 0 150 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.366 109.4 46.8 -89.7 -5.1 -10.6 9.7 40.9 87 98 A D X + 0 0 72 -3,-2.7 3,-1.5 4,-0.1 -3,-0.3 -0.416 52.0 157.6-140.2 70.9 -12.1 11.5 43.9 88 99 A V G > S+ 0 0 37 -3,-0.3 3,-1.8 1,-0.3 5,-0.2 0.833 79.3 65.5 -62.5 -29.2 -11.5 15.4 44.0 89 99AA A G 3 S+ 0 0 27 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.731 89.4 65.2 -76.5 -4.2 -14.5 15.6 46.2 90 99BA A G < S- 0 0 32 -3,-1.5 -1,-0.3 1,-0.3 2,-0.2 0.722 101.6-145.5 -75.3 -28.1 -12.5 13.7 48.8 91 100 A G < + 0 0 3 -3,-1.8 -7,-0.5 -4,-0.3 -1,-0.3 -0.626 63.1 125.1 97.3-155.8 -10.1 16.6 49.0 92 101 A Y + 0 0 75 -2,-0.2 2,-1.6 1,-0.2 -12,-0.3 0.569 34.7 157.8 63.9 33.9 -6.4 16.5 49.6 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.651 31.1 116.5 -85.4 72.7 -6.0 18.5 46.4 94 103 A I + 0 0 0 -2,-1.6 -14,-2.0 -51,-0.2 2,-0.3 -0.974 36.1 175.2-149.3 133.5 -2.6 19.9 47.3 95 104 A A E -LN 42 79C 0 -53,-2.5 -53,-2.3 -2,-0.3 2,-0.4 -0.971 17.3-148.9-140.3 151.7 1.0 19.7 46.0 96 105 A L E -LN 41 78C 0 -18,-2.2 -18,-2.1 -2,-0.3 2,-0.6 -0.981 13.6-158.0-124.0 124.3 4.4 21.2 46.8 97 106 A L E -LN 40 77C 0 -57,-3.1 -57,-1.9 -2,-0.4 2,-0.6 -0.943 6.7-149.6-103.7 116.2 6.9 21.7 44.1 98 107 A R E -LN 39 76C 60 -22,-2.5 -23,-3.5 -2,-0.6 -22,-1.4 -0.803 23.1-134.5 -80.7 129.0 10.5 22.0 44.9 99 108 A L E - 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