==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 19-MAR-93 1INC . 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) . 10853.0 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 . 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 . 21 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.3 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 . 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,-0.5 0.000 360.0 360.0 360.0 119.0 -11.2 33.8 35.9 2 17 A V B 3 +A 182 0A 10 180,-3.0 180,-2.0 1,-0.2 134,-0.1 -0.830 360.0 12.6 -83.9 134.0 -14.8 34.5 34.7 3 18 A G T 3 S+ 0 0 42 132,-0.6 146,-0.2 -2,-0.5 -1,-0.2 0.691 99.2 141.1 71.0 31.0 -16.0 38.0 35.5 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 131,-0.1 144,-0.3 -0.402 45.0-131.8 -84.1-178.1 -12.5 39.3 36.4 5 20 A T E -B 147 0B 87 142,-3.0 142,-2.9 -2,-0.1 2,-0.1 -0.854 37.0 -92.7-130.8 145.5 -10.5 42.4 35.9 6 21 A E E -B 146 0B 114 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.441 48.5-129.6 -48.6 121.4 -7.0 42.8 34.7 7 22 A A - 0 0 3 138,-2.7 2,-0.1 53,-0.1 138,-0.1 -0.664 22.0-101.6 -73.6 150.0 -4.8 42.9 37.8 8 23 A Q > - 0 0 139 -2,-0.2 3,-2.0 1,-0.1 4,-0.5 -0.421 40.0-110.6 -65.0 150.6 -2.3 45.5 38.4 9 24 A R T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.587 112.3 33.0 -55.9 -27.4 1.2 44.2 37.6 10 25 A N T 3 S+ 0 0 78 1,-0.1 -1,-0.3 50,-0.0 -2,-0.1 0.079 88.7 95.7-118.6 3.8 2.4 44.1 41.1 11 26 A S S < S+ 0 0 43 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.828 94.2 29.1 -64.7 -39.0 -0.7 43.4 43.1 12 27 A W > + 0 0 27 -4,-0.5 3,-1.2 1,-0.1 -1,-0.2 -0.638 62.1 160.5-124.4 64.0 -0.2 39.6 43.4 13 28 A P T 3 + 0 0 33 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.498 69.4 66.7 -79.8 -0.1 3.4 38.7 43.4 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.1 97,-0.1 98,-0.2 0.680 79.8 110.4 -86.5 -1.5 3.1 35.2 45.0 15 30 A Q E < -I 33 0C 5 -3,-1.2 43,-0.5 18,-0.2 44,-0.4 -0.283 47.5-178.4 -67.5 130.4 1.2 34.2 41.8 16 31 A I E -IJ 32 57C 0 16,-2.0 16,-0.8 41,-0.1 2,-0.5 -0.896 25.3-128.6-124.0 158.7 3.0 31.7 39.5 17 32 A S E -IJ 31 56C 0 39,-2.6 39,-2.9 -2,-0.3 2,-0.5 -0.945 18.0-148.0 -98.5 127.7 2.2 30.2 36.2 18 33 A L E -IJ 30 55C 0 12,-3.6 11,-3.1 -2,-0.5 12,-1.3 -0.811 25.6-175.2 -93.0 113.9 2.5 26.4 36.1 19 34 A Q E -IJ 28 54C 9 35,-3.1 35,-2.8 -2,-0.5 2,-0.3 -0.988 17.7-151.6-120.3 147.8 3.6 25.3 32.6 20 35 A Y E -IJ 27 53C 68 7,-2.4 7,-2.4 -2,-0.4 2,-0.3 -0.787 32.6-106.4-115.6 143.2 4.1 22.0 30.7 21 36 A R E -I 26 0C 127 31,-2.1 2,-0.5 -2,-0.3 31,-0.3 -0.597 40.5-172.4 -74.0 108.9 6.5 21.3 27.8 22 36AA S E > -I 25 0C 51 3,-2.8 3,-1.2 -2,-0.3 2,-0.5 -0.812 58.5 -53.1-110.9 78.2 4.0 21.1 24.9 23 36BA G T 3 S- 0 0 72 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.737 122.0 -26.8 91.1-112.9 5.8 19.9 21.7 24 36CA S T 3 S+ 0 0 131 -2,-0.5 -1,-0.2 -3,-0.1 2,-0.2 0.157 134.5 70.6-115.4 21.8 8.7 22.4 21.5 25 37 A S E < S-I 22 0C 71 -3,-1.2 -3,-2.8 -5,-0.0 2,-0.4 -0.447 77.0-121.9-122.6-178.8 6.7 25.1 23.4 26 38 A W E -I 21 0C 82 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.994 24.8-159.7-129.0 134.1 5.5 25.6 27.0 27 39 A A E -I 20 0C 26 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.1 -0.988 21.5-115.1-122.5 147.0 1.9 25.9 27.8 28 40 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.352 42.1 156.7 -69.0 129.2 0.1 27.4 30.9 29 41 A T E - 0 0 47 -11,-3.1 2,-0.3 1,-0.4 157,-0.2 0.583 56.2 -1.0-121.7 -26.0 -1.9 24.7 32.7 30 42 A a E -I 18 0C 6 -12,-1.3 -12,-3.6 157,-0.1 -1,-0.4 -0.995 58.4-109.4-154.8 160.3 -2.3 25.9 36.2 31 43 A G E +I 17 0C 1 157,-2.0 12,-0.4 -2,-0.3 2,-0.3 -0.320 31.4 171.6 -88.8 171.9 -1.8 28.4 38.9 32 44 A G E -I 16 0C 0 -16,-0.8 -16,-2.0 10,-0.1 2,-0.4 -0.945 27.5-119.5-165.1 176.3 0.4 28.2 42.1 33 45 A T E -IK 15 41C 1 8,-2.2 8,-2.7 -2,-0.3 2,-0.4 -0.993 21.0-131.8-132.8 125.6 1.8 30.2 45.1 34 46 A L E + K 0 40C 0 -20,-2.1 78,-3.2 -2,-0.4 6,-0.2 -0.611 34.7 166.7 -74.0 106.9 5.5 30.8 45.8 35 47 A I E + 0 0 2 4,-2.4 2,-0.2 -2,-0.4 5,-0.2 0.603 68.4 13.7-103.5 -22.4 5.6 29.9 49.4 36 48 A R E > S- K 0 39C 97 3,-2.0 3,-1.3 74,-0.1 -1,-0.4 -0.878 88.5-103.4-139.5 164.3 9.5 29.7 49.7 37 49 A Q T 3 S+ 0 0 87 1,-0.3 66,-2.8 -2,-0.2 64,-0.1 0.747 128.7 30.5 -67.1 -17.6 12.1 31.0 47.2 38 50 A N T 3 S+ 0 0 29 64,-0.2 61,-2.3 62,-0.1 2,-0.3 0.141 113.2 70.6-118.1 12.7 12.4 27.3 46.3 39 51 A W E < -KL 36 98C 3 -3,-1.3 -4,-2.4 59,-0.2 -3,-2.0 -0.995 51.9-170.3-143.3 129.7 8.8 25.9 47.0 40 52 A V E -KL 34 97C 0 57,-1.6 57,-3.0 -2,-0.3 2,-0.4 -0.927 14.9-144.7-123.8 130.8 5.5 26.4 45.2 41 53 A M E +KL 33 96C 0 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.2 -0.886 36.3 148.7 -97.6 132.3 2.1 25.3 46.6 42 54 A T E - L 0 95C 0 53,-2.3 53,-2.5 -2,-0.4 2,-0.4 -0.810 48.8 -71.4-146.8-177.1 -0.3 24.0 43.8 43 55 A A >> - 0 0 0 -12,-0.4 3,-1.4 51,-0.3 4,-0.8 -0.822 30.2-133.6 -84.5 148.2 -3.2 21.5 43.3 44 56 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.3 4,-0.4 0.902 107.3 63.8 -61.3 -45.8 -2.5 17.8 43.2 45 57 A H G >4 S+ 0 0 89 1,-0.2 3,-0.8 2,-0.2 -1,-0.3 0.738 93.9 61.8 -48.6 -26.0 -4.7 17.7 40.2 46 58 A a G <4 S+ 0 0 11 -3,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.803 108.8 41.7 -78.6 -24.9 -2.2 20.0 38.2 47 59 A V G << S+ 0 0 14 -3,-1.5 -1,-0.2 -4,-0.8 -2,-0.2 0.357 80.7 103.9-113.4 29.3 0.5 17.5 38.5 48 60 A D < + 0 0 47 -3,-0.8 2,-0.2 -4,-0.4 -1,-0.2 0.773 68.3 75.2 -66.3 -40.1 -1.3 14.2 37.9 49 61 A R S S- 0 0 199 -3,-0.3 2,-1.4 -4,-0.3 0, 0.0 -0.566 89.9-118.8 -79.0 151.5 0.0 13.9 34.3 50 62 A E + 0 0 197 -2,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.603 65.3 136.3 -92.7 76.7 3.6 12.8 33.8 51 63 A L - 0 0 69 -2,-1.4 2,-0.4 -4,-0.1 -29,-0.1 -0.689 64.2 -98.8-111.4 164.9 4.7 15.9 32.0 52 64 A T - 0 0 67 -31,-0.3 -31,-2.1 -2,-0.2 2,-0.4 -0.759 49.0-162.7 -91.8 122.4 7.8 18.2 32.1 53 65 A F E +J 20 0C 12 -2,-0.4 21,-1.4 -33,-0.2 2,-0.3 -0.881 15.9 179.6-111.4 138.6 6.8 21.2 34.3 54 65AA R E -JM 19 73C 54 -35,-2.8 -35,-3.1 -2,-0.4 2,-0.5 -0.969 17.8-136.4-131.2 161.3 8.2 24.7 34.8 55 66 A V E -JM 18 72C 0 17,-3.2 17,-1.9 -2,-0.3 2,-0.5 -0.943 8.2-159.3-111.9 136.9 7.3 27.6 37.0 56 67 A V E -JM 17 71C 0 -39,-2.9 -39,-2.6 -2,-0.5 2,-0.3 -0.950 9.0-173.5-120.8 115.5 7.2 31.2 36.0 57 68 A V E S+JM 16 70C 1 13,-1.9 13,-2.1 -2,-0.5 -41,-0.1 -0.707 70.3 32.0 -95.7 147.7 7.3 33.9 38.6 58 69 A G S S+ 0 0 6 -43,-0.5 2,-0.3 50,-0.5 10,-0.3 0.731 83.8 154.6 79.1 11.7 6.9 37.6 37.9 59 70 A E + 0 0 16 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.618 14.5 149.9 -80.3 136.0 4.5 36.8 35.1 60 71 A H S S+ 0 0 7 -2,-0.3 85,-1.3 1,-0.3 2,-0.6 0.445 71.8 34.3-123.1 -57.8 1.9 39.3 34.0 61 72 A N B > -O 144 0D 15 3,-0.3 3,-1.4 83,-0.2 -1,-0.3 -0.936 65.5-157.9-107.2 114.8 1.3 38.6 30.2 62 73 A L T 3 S+ 0 0 31 81,-3.7 -1,-0.1 -2,-0.6 82,-0.1 0.794 92.0 41.0 -59.0 -32.7 1.5 35.0 29.2 63 74 A N T 3 S+ 0 0 109 80,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.136 111.9 59.0 -98.4 -2.0 2.2 35.8 25.5 64 75 A Q S < S- 0 0 119 -3,-1.4 2,-0.6 79,-0.2 -3,-0.3 -1.000 84.9-104.4-140.7 146.2 4.6 38.7 25.9 65 76 A N + 0 0 130 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.0 -0.600 31.0 178.0 -70.6 114.2 7.9 39.7 27.5 66 77 A N - 0 0 25 -2,-0.6 -1,-0.1 -5,-0.2 -4,-0.0 0.455 41.1-127.9 -86.9 -16.5 7.1 41.7 30.7 67 78 A G S S+ 0 0 57 1,-0.1 -2,-0.1 2,-0.0 -8,-0.1 0.583 94.9 81.1 67.0 16.6 10.8 42.0 31.5 68 79 A T + 0 0 23 -10,-0.3 40,-0.1 40,-0.0 -9,-0.1 0.514 61.9 119.2-115.9 -16.4 10.0 40.7 35.0 69 80 A E - 0 0 25 -11,-0.1 2,-0.4 -13,-0.1 -11,-0.2 -0.363 40.5-165.1 -59.6 140.4 9.7 36.9 34.5 70 81 A Q E -M 57 0C 44 -13,-2.1 -13,-1.9 -2,-0.1 2,-0.5 -0.994 10.7-152.7-123.8 127.4 11.9 34.2 36.1 71 82 A Y E +M 56 0C 109 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.880 18.8 178.9-107.3 117.5 11.8 30.7 34.6 72 83 A V E -M 55 0C 3 -17,-1.9 -17,-3.2 -2,-0.5 2,-0.1 -0.996 24.3-125.8-133.7 129.8 12.5 27.8 36.9 73 84 A G E -M 54 0C 32 -2,-0.4 27,-2.5 -19,-0.2 2,-0.5 -0.315 26.5-120.3 -55.6 143.9 12.6 24.0 36.6 74 85 A V E +N 99 0C 35 -21,-1.4 25,-0.2 25,-0.2 -21,-0.1 -0.776 30.0 179.3 -89.0 124.9 10.6 21.7 38.9 75 86 A Q E + 0 0 107 23,-3.2 2,-0.3 -2,-0.5 24,-0.2 0.766 63.0 7.9 -84.2 -45.0 13.0 19.5 40.7 76 87 A K E -N 98 0C 95 22,-1.4 22,-2.8 2,-0.0 2,-0.5 -0.998 57.2-154.9-147.0 140.6 10.6 17.5 42.9 77 88 A I E -N 97 0C 71 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.964 8.7-175.1-121.5 124.9 6.9 17.0 43.2 78 89 A V E -N 96 0C 27 18,-2.8 18,-2.1 -2,-0.5 2,-0.2 -0.944 7.2-168.9-121.3 107.6 5.3 15.9 46.5 79 90 A V E -N 95 0C 48 -2,-0.5 16,-0.2 16,-0.2 14,-0.1 -0.510 41.6 -87.6 -88.8 149.3 1.5 15.3 46.3 80 91 A H > - 0 0 18 14,-1.8 3,-2.7 12,-0.4 -1,-0.1 -0.549 38.0-127.1 -58.9 125.8 -0.5 14.8 49.4 81 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.691 108.2 49.8 -47.3 -23.1 -0.3 11.0 50.2 82 93 A Y T 3 S+ 0 0 159 10,-0.1 2,-0.1 2,-0.0 11,-0.1 0.437 80.3 123.7 -99.2 -0.5 -4.1 10.8 50.4 83 94 A W < - 0 0 24 -3,-2.7 2,-0.4 9,-0.2 9,-0.1 -0.500 44.8-162.6 -61.8 130.2 -4.8 12.6 47.1 84 95 A N > - 0 0 75 7,-0.4 3,-3.1 3,-0.4 6,-0.3 -0.937 16.8-151.6-124.6 116.6 -6.8 10.5 44.8 85 96 A T T 3 S+ 0 0 81 -2,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.468 99.6 45.3 -39.0 -37.1 -6.9 11.3 41.1 86 97 A D T 3 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.156 112.1 52.4 -94.2 -7.0 -10.5 9.8 40.8 87 98 A D X + 0 0 73 -3,-3.1 3,-1.5 4,-0.1 -3,-0.4 -0.603 52.1 155.6-131.6 80.1 -12.0 11.5 43.9 88 99 A V G > S+ 0 0 35 1,-0.3 3,-1.2 2,-0.2 5,-0.2 0.830 79.5 63.2 -78.6 -23.2 -11.3 15.4 43.9 89 99AA A G 3 S+ 0 0 27 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.617 87.1 68.9 -74.4 -10.7 -14.2 15.6 46.1 90 99BA A G < S- 0 0 36 -3,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.680 102.0-141.6 -80.7 -7.3 -12.4 13.6 48.7 91 100 A G < + 0 0 3 -3,-1.2 -7,-0.4 -4,-0.4 -1,-0.3 -0.720 65.9 122.3 83.8-159.6 -10.2 16.6 49.0 92 101 A Y + 0 0 77 -2,-0.3 2,-2.3 1,-0.2 -12,-0.4 0.558 35.4 157.7 67.1 29.0 -6.4 16.5 49.6 93 102 A D + 0 0 1 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.423 31.3 110.5 -81.7 65.3 -6.0 18.6 46.4 94 103 A I + 0 0 0 -2,-2.3 -14,-1.8 -51,-0.2 2,-0.3 -0.961 37.7 176.3-143.1 140.1 -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,-0.5 -0.975 18.4-145.0-139.6 155.9 1.0 19.5 46.0 96 105 A L E -LN 41 78C 0 -18,-2.1 -18,-2.8 -2,-0.3 2,-0.6 -0.958 14.4-157.3-126.4 119.8 4.3 21.1 46.9 97 106 A L E -LN 40 77C 0 -57,-3.0 -57,-1.6 -2,-0.5 2,-0.7 -0.925 5.1-152.5-104.1 122.2 6.8 21.7 44.1 98 107 A R E -LN 39 76C 67 -22,-2.8 -23,-3.2 -2,-0.6 -22,-1.4 -0.844 22.7-141.2 -89.3 118.1 10.5 22.0 44.9 99 108 A L E - 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