==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JAN-06 2FOA . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.MATTOS,C.R.BELLAMACINA,E.PEISACH,A.PEREIRA,D.VITKUP,G.A.PE . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10881.0 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 . 81 33.8 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 . 23 9.6 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 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 . 5 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 0.000 360.0 360.0 360.0 121.1 40.4 33.8 35.9 2 17 A V B 3 +A 182 0A 10 180,-2.6 180,-1.7 1,-0.2 134,-0.1 -0.773 360.0 9.6 -92.9 135.1 36.9 34.5 34.7 3 18 A G T 3 S+ 0 0 42 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.766 100.3 129.2 71.3 26.4 35.6 38.1 35.3 4 19 A G < - 0 0 28 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.284 49.5-132.0-101.5-170.9 39.0 39.4 36.3 5 20 A T E -B 147 0B 88 142,-2.5 142,-2.4 -2,-0.1 2,-0.1 -0.943 38.0 -81.9-139.4 157.5 41.2 42.4 35.3 6 21 A E E -B 146 0B 104 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.404 46.4-130.9 -64.0 132.5 44.9 42.6 34.4 7 22 A A - 0 0 2 138,-2.6 2,-0.1 -2,-0.1 3,-0.1 -0.493 31.2 -93.6 -81.3 153.6 47.1 42.9 37.5 8 23 A Q > - 0 0 156 -2,-0.1 3,-1.9 1,-0.1 4,-0.2 -0.479 62.4 -88.4 -63.1 137.5 49.7 45.6 37.7 9 24 A R T 3 S- 0 0 116 1,-0.3 -1,-0.1 2,-0.1 51,-0.1 -0.227 107.8 -0.7 -55.0 132.7 52.8 43.9 36.4 10 25 A N T 3 S+ 0 0 24 49,-0.3 -1,-0.3 2,-0.1 50,-0.1 0.751 90.7 128.4 60.0 28.3 54.8 42.1 39.1 11 26 A S S < S+ 0 0 43 -3,-1.9 -2,-0.1 1,-0.3 -1,-0.1 0.584 75.4 44.8 -87.7 -11.0 52.3 43.2 41.8 12 27 A W S > S+ 0 0 35 -4,-0.2 3,-2.0 96,-0.1 -1,-0.3 -0.640 75.7 175.3-129.1 69.4 51.9 39.5 43.0 13 28 A P T 3 S+ 0 0 37 0, 0.0 97,-1.3 0, 0.0 45,-0.3 0.525 71.2 59.9 -55.5 -14.2 55.7 38.6 43.0 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.5 97,-0.1 2,-0.3 0.552 80.1 108.2 -93.3 -7.8 55.2 35.1 44.5 15 30 A Q E < -I 33 0C 5 -3,-2.0 43,-0.5 18,-0.2 44,-0.4 -0.508 50.3-173.1 -71.0 129.6 53.0 34.0 41.6 16 31 A I E -I 32 0C 1 16,-2.1 16,-0.8 -2,-0.3 2,-0.5 -0.846 22.6-130.8-123.3 160.8 54.7 31.5 39.3 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-2.2 -2,-0.3 2,-0.6 -0.960 17.4-154.0-110.7 124.2 53.9 29.9 35.9 18 33 A L E +IJ 30 55C 0 12,-3.2 11,-2.7 -2,-0.5 12,-1.8 -0.894 22.0 179.4 -99.7 121.9 54.3 26.2 35.8 19 34 A Q E -IJ 28 54C 11 35,-2.7 35,-2.3 -2,-0.6 2,-0.3 -0.866 16.8-152.3-125.3 156.1 54.9 25.0 32.2 20 35 A Y E -IJ 27 53C 69 7,-2.2 7,-2.1 -2,-0.3 2,-0.4 -0.905 26.0-108.5-124.7 155.9 55.6 21.7 30.5 21 36 A R E -I 26 0C 121 31,-1.9 2,-0.5 -2,-0.3 31,-0.4 -0.700 29.3-178.7 -87.7 130.5 57.5 20.8 27.3 22 37 A S E > -I 25 0C 50 3,-2.9 3,-1.3 -2,-0.4 2,-0.6 -0.893 67.2 -49.2-128.3 98.0 55.4 19.8 24.3 23 38 A G T 3 S- 0 0 59 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.655 121.5 -22.8 78.0-117.8 57.8 19.0 21.4 24 39 A S T 3 S+ 0 0 126 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.2 0.208 128.0 67.1-111.9 12.6 60.2 21.9 21.1 25 40 A S E < S-I 22 0C 62 -3,-1.3 -3,-2.9 -5,-0.0 2,-0.3 -0.797 73.5-121.7-128.2 170.9 58.0 24.5 22.8 26 41 A W E -I 21 0C 91 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.860 18.5-163.4-115.9 150.2 56.6 25.2 26.3 27 42 A A E -I 20 0C 28 -7,-2.1 -7,-2.2 -2,-0.3 2,-0.2 -0.998 22.5-121.0-136.6 133.8 53.0 25.6 27.4 28 43 A H E +I 19 0C 18 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.494 38.7 159.2 -69.2 135.5 51.6 27.1 30.6 29 44 A T E + 0 0 48 -11,-2.7 2,-0.3 1,-0.4 157,-0.3 0.598 56.9 5.1-128.4 -30.4 49.5 24.5 32.5 30 45 A a E -I 18 0C 4 -12,-1.8 -12,-3.2 157,-0.1 -1,-0.4 -0.962 57.8-122.1-152.9 168.5 49.3 25.7 36.1 31 46 A G E +I 17 0C 1 157,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.422 30.6 173.3-101.7-178.8 50.0 28.5 38.6 32 47 A G E -I 16 0C 0 -16,-0.8 -16,-2.1 -2,-0.2 2,-0.4 -0.968 27.9-111.1-174.7 174.1 52.0 28.1 41.8 33 48 A T E -IK 15 41C 1 8,-2.7 8,-3.2 -2,-0.3 2,-0.6 -0.991 20.7-132.3-128.6 128.9 53.5 30.0 44.7 34 49 A L E + K 0 40C 0 -20,-2.5 78,-3.2 -2,-0.4 6,-0.2 -0.688 33.5 165.6 -77.0 116.4 57.2 30.6 45.4 35 50 A I E + 0 0 2 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.612 66.4 13.7-108.1 -17.2 57.7 29.7 49.1 36 51 A R E > S- K 0 39C 96 3,-1.6 3,-1.3 74,-0.1 -1,-0.3 -0.933 88.8 -98.7-147.6 162.0 61.5 29.4 49.2 37 52 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.782 127.8 26.0 -57.7 -23.9 64.2 30.5 46.8 38 53 A N T 3 S+ 0 0 42 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.130 112.5 76.5-126.4 21.5 64.2 26.9 45.6 39 54 A W E < -KL 36 98C 3 -3,-1.3 -4,-2.1 59,-0.2 -3,-1.6 -0.998 51.3-169.6-136.9 136.5 60.7 25.6 46.5 40 55 A V E -KL 34 97C 0 57,-2.2 57,-2.9 -2,-0.4 2,-0.5 -0.957 12.9-145.6-124.0 141.0 57.4 26.1 44.8 41 56 A M E +KL 33 96C 0 -8,-3.2 -8,-2.7 -2,-0.4 2,-0.2 -0.910 35.9 141.9-106.8 130.5 53.9 25.2 46.1 42 57 A T E - L 0 95C 0 53,-2.6 53,-2.4 -2,-0.5 2,-0.3 -0.787 51.5 -65.4-148.8-170.2 51.3 24.1 43.6 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.6 -0.665 32.6-133.8 -89.8 144.9 48.5 21.6 43.2 44 59 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.869 105.7 60.4 -62.8 -36.1 49.1 17.8 43.1 45 60 A H G >4 S+ 0 0 57 1,-0.3 3,-0.5 2,-0.2 4,-0.3 0.648 95.4 64.3 -69.5 -10.0 46.9 17.4 40.0 46 61 A a G <4 S+ 0 0 10 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.762 109.7 36.7 -80.0 -26.8 49.2 19.8 38.1 47 62 A V G << S+ 0 0 12 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 -0.044 83.8 106.0-117.0 31.8 52.1 17.4 38.4 48 63 A D < + 0 0 60 -3,-0.5 -1,-0.1 2,-0.1 -2,-0.1 0.894 68.9 70.4 -74.1 -43.7 50.2 14.1 38.0 49 64 A R S S- 0 0 193 -4,-0.3 2,-1.4 -3,-0.2 0, 0.0 -0.402 91.0-116.6 -75.2 152.4 51.4 13.5 34.5 50 65 A E + 0 0 197 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.657 63.2 135.6 -93.5 83.0 55.0 12.6 33.8 51 66 A L - 0 0 68 -2,-1.4 2,-0.6 -4,-0.0 -29,-0.1 -0.712 63.7 -96.2-119.9 170.4 56.1 15.6 31.7 52 67 A T - 0 0 71 -31,-0.4 -31,-1.9 -2,-0.2 2,-0.3 -0.829 48.9-164.1 -90.9 122.0 59.1 17.8 31.8 53 68 A F E -J 20 0C 14 -2,-0.6 21,-1.1 -33,-0.2 2,-0.3 -0.778 15.7-177.9-110.3 153.5 58.3 20.9 33.9 54 69 A R E -JM 19 73C 57 -35,-2.3 -35,-2.7 -2,-0.3 2,-0.4 -0.975 18.2-136.8-143.1 152.4 59.9 24.3 34.3 55 70 A V E -JM 18 72C 0 17,-3.4 17,-2.6 -2,-0.3 2,-0.5 -0.919 9.5-159.2-114.8 139.8 59.0 27.2 36.5 56 71 A V E -JM 17 71C 0 -39,-2.2 -39,-2.0 -2,-0.4 3,-0.3 -0.976 10.4-172.3-119.9 119.3 58.9 30.8 35.4 57 72 A V E + M 0 70C 1 13,-2.3 13,-1.8 -2,-0.5 -41,-0.1 -0.742 67.6 29.8-106.9 158.4 59.1 33.5 38.1 58 73 A G S S+ 0 0 3 -43,-0.5 -1,-0.2 50,-0.4 10,-0.2 0.694 86.6 153.2 68.9 20.1 58.7 37.3 37.6 59 74 A E + 0 0 12 -44,-0.4 -49,-0.3 -3,-0.3 -1,-0.2 -0.471 18.0 151.3 -84.7 151.6 56.3 36.6 34.7 60 75 A H + 0 0 3 1,-0.3 85,-1.5 4,-0.2 2,-0.6 0.435 70.0 36.5-139.1 -58.3 53.6 38.9 33.5 61 76 A N B > -O 144 0D 14 3,-0.3 3,-1.1 83,-0.2 -1,-0.3 -0.932 65.7-157.0-108.1 114.5 52.9 38.4 29.7 62 77 A L T 3 S+ 0 0 37 81,-2.9 -1,-0.1 -2,-0.6 82,-0.1 0.735 89.4 46.2 -62.1 -25.1 53.2 34.8 28.7 63 78 A N T 3 S+ 0 0 119 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.429 110.4 46.7-102.0 1.1 53.9 35.6 25.0 64 79 A Q S < S- 0 0 114 -3,-1.1 2,-0.5 79,-0.2 -3,-0.3 -0.975 85.8 -95.2-143.7 158.8 56.4 38.4 25.3 65 80 A N + 0 0 128 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.578 31.8 177.3 -72.6 117.7 59.7 39.4 27.0 66 81 A N - 0 0 24 -2,-0.5 -1,-0.2 -5,-0.1 -4,-0.0 0.571 41.9-126.1 -94.6 -13.1 58.9 41.5 30.0 67 82 A G S S+ 0 0 51 -3,-0.1 -2,-0.1 1,-0.0 -8,-0.1 0.737 94.8 80.2 74.4 23.9 62.5 41.7 31.0 68 83 A T + 0 0 15 -10,-0.2 40,-0.1 -11,-0.1 2,-0.1 0.346 64.0 117.9-136.8 -2.9 61.8 40.5 34.5 69 84 A E - 0 0 26 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.336 38.6-169.8 -77.8 151.7 61.6 36.7 33.9 70 85 A Q E -M 57 0C 46 -13,-1.8 -13,-2.3 -2,-0.1 2,-0.5 -0.991 11.0-154.4-137.5 128.0 63.7 33.9 35.4 71 86 A Y E +M 56 0C 118 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.906 18.8 170.6-109.1 130.2 63.4 30.3 34.0 72 87 A V E -M 55 0C 10 -17,-2.6 -17,-3.4 -2,-0.5 2,-0.1 -0.996 26.3-124.1-141.6 144.8 64.3 27.3 36.2 73 88 A G E -M 54 0C 31 -2,-0.3 27,-2.4 -19,-0.2 2,-0.6 -0.293 26.9-111.9 -80.9 169.3 63.9 23.6 35.9 74 89 A V E +N 99 0C 34 -21,-1.1 25,-0.2 25,-0.3 -21,-0.2 -0.917 29.0 179.4-106.8 118.2 62.2 21.3 38.4 75 90 A Q E + 0 0 115 23,-2.4 2,-0.3 -2,-0.6 24,-0.2 0.830 67.4 11.8 -86.1 -38.2 64.6 18.9 40.3 76 91 A K E -N 98 0C 91 22,-1.7 22,-2.8 2,-0.0 2,-0.5 -1.000 57.9-153.8-146.2 144.2 62.2 17.1 42.5 77 92 A I E -N 97 0C 71 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.972 9.2-172.3-121.8 118.8 58.4 16.7 42.9 78 93 A V E -N 96 0C 27 18,-3.0 18,-2.7 -2,-0.5 2,-0.3 -0.904 7.1-170.3-114.4 104.1 56.9 15.9 46.2 79 94 A V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.650 39.3 -91.3 -90.4 147.9 53.2 15.1 46.1 80 95 A H > - 0 0 20 14,-2.0 3,-1.9 12,-0.3 -1,-0.1 -0.376 36.1-125.8 -59.0 133.8 51.2 14.8 49.3 81 96 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.724 106.9 49.9 -52.7 -28.6 51.2 11.1 50.3 82 97 A Y T 3 S+ 0 0 164 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.417 78.2 128.7 -95.5 2.5 47.4 10.9 50.5 83 98 A W < - 0 0 33 -3,-1.9 2,-0.5 9,-0.2 9,-0.1 -0.374 37.5-169.0 -61.8 130.1 46.7 12.5 47.1 84 99 A N > - 0 0 71 7,-0.5 3,-2.6 3,-0.3 6,-0.2 -0.922 12.5-159.3-125.0 102.9 44.3 10.4 45.0 85 100 A T T 3 S+ 0 0 78 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.731 93.2 56.0 -53.1 -25.0 44.1 11.6 41.4 86 101 A D T 3 S+ 0 0 145 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.470 111.1 43.5 -88.3 -2.4 40.7 9.9 41.0 87 102 A D X + 0 0 75 -3,-2.6 3,-1.7 4,-0.1 -3,-0.3 -0.583 55.5 162.3-142.9 74.8 39.1 11.7 43.9 88 103 A V G > S+ 0 0 49 -3,-0.3 3,-1.6 1,-0.3 5,-0.2 0.815 78.2 65.6 -63.2 -27.7 40.0 15.4 43.9 89 104 A A G 3 S+ 0 0 25 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.610 87.0 68.8 -70.1 -12.8 37.1 15.9 46.3 90 105 A A G < S- 0 0 20 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.620 101.3-141.4 -80.4 -13.0 39.0 13.9 48.9 91 106 A G < + 0 0 3 -3,-1.6 -7,-0.5 -4,-0.3 -1,-0.3 -0.510 66.0 119.9 90.2-158.2 41.4 16.7 49.2 92 107 A Y + 0 0 80 1,-0.2 2,-2.0 79,-0.2 -12,-0.3 0.696 37.0 155.3 65.7 21.7 45.2 16.6 49.6 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.515 31.9 106.8 -82.1 76.3 45.6 18.5 46.4 94 109 A I + 0 0 0 -2,-2.0 -14,-2.0 -51,-0.3 2,-0.3 -0.992 38.9 177.1-153.3 146.0 49.0 19.9 47.1 95 110 A A E -LN 42 79C 0 -53,-2.4 -53,-2.6 -2,-0.3 2,-0.4 -0.992 19.5-139.9-150.0 150.4 52.6 19.4 45.9 96 111 A L E -LN 41 78C 0 -18,-2.7 -18,-3.0 -2,-0.3 2,-0.5 -0.944 14.2-156.6-115.4 134.8 56.0 20.9 46.5 97 112 A L E -LN 40 77C 0 -57,-2.9 -57,-2.2 -2,-0.4 2,-0.6 -0.946 6.2-149.4-114.6 123.5 58.5 21.4 43.7 98 113 A R E -LN 39 76C 76 -22,-2.8 -23,-2.4 -2,-0.5 -22,-1.7 -0.820 22.9-135.7 -90.8 122.4 62.2 21.7 44.5 99 114 A L E - 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