==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JAN-06 2FOG . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR C.MATTOS,C.R.BELLAMACINA,E.PEISACH,A.PEREIRA,D.VITKUP, . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 63.8 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 . 20 8.3 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 . 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 1 0 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 . 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 0.000 360.0 360.0 360.0 118.8 40.9 33.9 36.1 2 17 A V B 3 +A 182 0A 9 180,-2.4 180,-1.6 1,-0.2 134,-0.1 -0.774 360.0 11.9 -93.8 139.5 37.5 34.7 34.8 3 18 A G T 3 S+ 0 0 40 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.789 100.6 130.2 67.9 29.3 36.2 38.2 35.4 4 19 A G < - 0 0 24 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.350 49.7-129.4-104.9-172.9 39.5 39.5 36.5 5 20 A T E -B 147 0B 88 142,-2.7 142,-2.6 -2,-0.1 2,-0.1 -0.950 36.6 -87.8-135.2 154.0 41.8 42.5 35.7 6 21 A E E -B 146 0B 111 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.400 46.0-130.2 -63.1 134.2 45.4 42.7 34.7 7 22 A A - 0 0 2 138,-2.5 2,-0.1 53,-0.1 3,-0.1 -0.553 30.0 -93.7 -84.7 151.5 47.6 43.0 37.8 8 23 A Q > - 0 0 151 -2,-0.2 3,-2.1 1,-0.1 4,-0.2 -0.460 63.0 -84.7 -62.5 134.2 50.2 45.7 38.1 9 24 A R T 3 S- 0 0 115 1,-0.3 -1,-0.1 2,-0.1 51,-0.1 -0.136 109.5 -4.2 -47.1 124.5 53.4 44.1 36.8 10 25 A N T 3 S+ 0 0 27 49,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.765 87.8 132.0 61.3 31.2 55.1 42.3 39.7 11 26 A S S < S+ 0 0 48 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.530 77.3 46.1 -86.7 -7.0 52.6 43.3 42.3 12 27 A W S > S+ 0 0 33 -4,-0.2 3,-1.7 96,-0.1 -1,-0.3 -0.659 75.6 174.8-132.5 71.3 52.3 39.7 43.4 13 28 A P T 3 S+ 0 0 39 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.532 71.6 58.7 -57.2 -15.8 56.1 38.8 43.5 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.6 97,-0.1 98,-0.2 0.532 80.5 109.6 -94.1 -7.3 55.8 35.3 44.9 15 30 A Q E < -I 33 0C 6 -3,-1.7 43,-0.5 18,-0.2 44,-0.4 -0.476 49.4-173.7 -69.4 133.4 53.6 34.2 42.0 16 31 A I E -IJ 32 57C 0 16,-2.0 16,-0.9 -2,-0.2 2,-0.5 -0.865 23.3-130.3-127.4 162.9 55.3 31.7 39.6 17 32 A S E -IJ 31 56C 0 39,-1.9 39,-2.0 -2,-0.3 2,-0.6 -0.969 17.0-153.9-114.1 123.0 54.5 30.1 36.3 18 33 A L E +IJ 30 55C 0 12,-3.3 11,-2.5 -2,-0.5 12,-1.8 -0.884 23.0 178.8 -98.1 119.8 55.0 26.3 36.2 19 34 A Q E -IJ 28 54C 11 35,-2.7 35,-2.2 -2,-0.6 2,-0.3 -0.863 18.6-150.7-124.1 156.0 55.7 25.2 32.6 20 35 A Y E -IJ 27 53C 59 7,-2.1 7,-2.1 -2,-0.3 2,-0.5 -0.896 27.4-108.2-122.0 154.6 56.4 21.9 30.8 21 36 A R E -I 26 0C 121 31,-1.8 2,-0.6 -2,-0.3 31,-0.4 -0.703 29.0-174.7 -86.4 126.7 58.5 21.2 27.7 22 37 A S E > -I 25 0C 49 3,-3.3 3,-1.8 -2,-0.5 2,-0.5 -0.917 63.2 -56.1-120.8 100.8 56.5 20.3 24.6 23 38 A G T 3 S- 0 0 59 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.528 121.3 -16.0 69.3-119.3 58.9 19.4 21.8 24 39 A S T 3 S+ 0 0 126 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.3 0.315 130.7 55.6-101.7 6.8 61.2 22.4 21.3 25 40 A S E < S-I 22 0C 65 -3,-1.8 -3,-3.3 -5,-0.0 2,-0.3 -0.825 74.9-118.2-133.4 172.7 59.1 24.9 23.2 26 41 A W E -I 21 0C 93 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.795 18.4-160.4-113.3 156.2 57.5 25.4 26.6 27 42 A A E -I 20 0C 30 -7,-2.1 -7,-2.1 -2,-0.3 2,-0.2 -0.999 22.5-118.2-139.4 136.3 53.9 25.8 27.7 28 43 A H E +I 19 0C 21 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.479 39.9 157.9 -69.3 137.1 52.3 27.2 30.9 29 44 A T E + 0 0 37 -11,-2.5 2,-0.3 1,-0.4 157,-0.3 0.569 56.8 6.4-131.9 -27.7 50.3 24.6 32.8 30 45 A a E -I 18 0C 4 -12,-1.8 -12,-3.3 157,-0.1 -1,-0.4 -0.981 57.8-122.9-155.7 165.2 50.0 25.8 36.4 31 46 A G E +I 17 0C 1 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.446 30.7 175.3 -99.9 179.5 50.6 28.6 38.9 32 47 A G E -I 16 0C 0 -16,-0.9 -16,-2.0 -2,-0.2 2,-0.4 -0.971 27.0-113.9-171.8 172.6 52.6 28.2 42.1 33 48 A T E -IK 15 41C 1 8,-2.8 8,-3.1 -2,-0.3 2,-0.7 -0.988 20.5-133.6-127.0 128.6 54.0 30.1 45.1 34 49 A L E + K 0 40C 1 -20,-2.6 78,-3.2 -2,-0.4 6,-0.2 -0.699 33.1 164.7 -78.3 116.5 57.7 30.7 45.9 35 50 A I E + 0 0 2 4,-1.9 2,-0.3 -2,-0.7 5,-0.2 0.619 66.9 15.1-107.7 -17.9 58.1 29.9 49.6 36 51 A R E > S- K 0 39C 89 3,-1.7 3,-1.1 74,-0.1 -1,-0.2 -0.916 88.5 -99.1-144.7 165.6 61.9 29.6 49.7 37 52 A Q T 3 S+ 0 0 85 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.757 127.1 24.3 -62.5 -21.2 64.7 30.6 47.3 38 53 A N T 3 S+ 0 0 33 64,-0.2 61,-2.3 62,-0.1 2,-0.4 0.102 112.6 78.0-130.6 23.4 64.7 27.0 46.1 39 54 A W E < -KL 36 98C 3 -3,-1.1 -4,-1.9 59,-0.2 -3,-1.7 -0.997 51.4-169.5-138.0 134.3 61.2 25.7 46.9 40 55 A V E -KL 34 97C 0 57,-2.4 57,-3.0 -2,-0.4 2,-0.5 -0.952 12.3-146.6-122.4 139.2 57.9 26.2 45.2 41 56 A M E +KL 33 96C 0 -8,-3.1 -8,-2.8 -2,-0.4 2,-0.2 -0.898 35.9 140.3-105.5 132.9 54.5 25.3 46.5 42 57 A T E - L 0 95C 0 53,-2.6 53,-2.7 -2,-0.5 2,-0.3 -0.824 52.5 -64.3-152.8-171.4 51.9 24.2 44.0 43 58 A A > - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.5 -0.673 33.1-134.4 -89.3 143.6 49.0 21.6 43.4 44 59 A A G > S+ 0 0 0 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.851 104.9 60.8 -62.6 -34.6 49.8 17.9 43.3 45 60 A H G > S+ 0 0 55 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.675 93.3 66.4 -69.9 -12.4 47.6 17.5 40.2 46 61 A a G < S+ 0 0 11 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.740 108.2 38.5 -75.7 -24.2 49.8 19.9 38.4 47 62 A V G < S+ 0 0 14 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.085 80.1 110.0-115.1 24.1 52.6 17.3 38.6 48 63 A D < + 0 0 68 -3,-0.7 2,-0.2 2,-0.1 -1,-0.1 0.890 69.7 68.2 -64.1 -41.2 50.7 14.1 38.0 49 64 A R S S- 0 0 146 -4,-0.3 2,-1.2 -3,-0.2 0, 0.0 -0.499 88.4-121.8 -81.4 150.6 52.2 13.6 34.6 50 65 A E + 0 0 200 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.702 61.4 129.8 -95.6 86.7 55.9 12.8 34.1 51 66 A L - 0 0 68 -2,-1.2 2,-0.6 -4,-0.1 -29,-0.1 -0.658 66.9 -84.8-125.0 179.1 57.1 15.6 32.0 52 67 A T - 0 0 68 -31,-0.4 -31,-1.8 -2,-0.2 2,-0.3 -0.826 50.6-165.3 -92.1 123.0 60.0 18.1 32.1 53 68 A F E -J 20 0C 16 -2,-0.6 21,-1.3 -33,-0.2 2,-0.3 -0.794 13.3-178.9-111.6 152.6 59.1 21.1 34.3 54 69 A R E -JM 19 73C 56 -35,-2.2 -35,-2.7 -2,-0.3 2,-0.4 -0.978 18.2-136.3-143.7 152.8 60.6 24.5 34.8 55 70 A V E -JM 18 72C 0 17,-3.2 17,-2.3 -2,-0.3 2,-0.5 -0.910 9.9-160.6-113.9 139.0 59.7 27.4 37.0 56 71 A V E -JM 17 71C 0 -39,-2.0 -39,-1.9 -2,-0.4 3,-0.3 -0.979 10.0-172.9-120.6 121.2 59.6 31.1 35.9 57 72 A V E +JM 16 70C 1 13,-2.2 13,-1.7 -2,-0.5 -41,-0.1 -0.749 67.3 31.5-108.4 159.3 59.7 33.8 38.6 58 73 A G S S+ 0 0 3 -43,-0.5 2,-0.2 50,-0.4 -1,-0.2 0.782 86.2 152.3 67.3 26.3 59.3 37.5 38.0 59 74 A E + 0 0 12 -44,-0.4 -49,-0.3 -3,-0.3 -1,-0.2 -0.577 17.8 150.2 -91.3 152.1 57.0 36.8 35.1 60 75 A H S S+ 0 0 4 4,-0.2 85,-1.7 -2,-0.2 2,-0.6 0.425 71.0 35.9-140.9 -55.3 54.2 39.1 33.9 61 76 A N B > -O 144 0D 14 3,-0.3 3,-0.9 83,-0.2 83,-0.2 -0.934 64.1-160.7-112.5 109.6 53.6 38.7 30.2 62 77 A L T 3 S+ 0 0 45 81,-2.4 -1,-0.1 -2,-0.6 82,-0.1 0.764 87.0 50.9 -58.7 -30.6 54.1 35.0 29.1 63 78 A N T 3 S+ 0 0 135 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.611 111.4 37.9 -88.0 -13.6 54.5 35.9 25.4 64 79 A Q S < S- 0 0 123 -3,-0.9 2,-0.4 79,-0.2 -3,-0.3 -0.932 86.3 -92.2-139.0 163.7 57.2 38.6 25.6 65 80 A N + 0 0 124 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.577 29.7 178.8 -75.2 123.7 60.3 39.6 27.5 66 81 A N - 0 0 30 -2,-0.4 -1,-0.2 -5,-0.1 -4,-0.0 0.517 44.2-122.0-100.0 -9.8 59.6 41.8 30.5 67 82 A G S S+ 0 0 51 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.745 97.3 79.9 74.3 24.4 63.3 42.1 31.4 68 83 A T + 0 0 15 -10,-0.2 40,-0.1 -11,-0.1 -9,-0.1 0.406 61.8 117.8-137.5 -5.4 62.5 40.6 34.9 69 84 A E - 0 0 25 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.323 38.2-168.6 -75.1 149.5 62.2 36.9 34.4 70 85 A Q E -M 57 0C 45 -13,-1.7 -13,-2.2 -2,-0.1 2,-0.4 -0.996 10.5-155.5-134.7 127.1 64.4 34.1 35.9 71 86 A Y E +M 56 0C 110 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.901 18.4 167.8-109.9 132.6 64.1 30.5 34.6 72 87 A V E -M 55 0C 5 -17,-2.3 -17,-3.2 -2,-0.4 -2,-0.0 -0.995 28.1-123.0-147.3 137.9 65.0 27.5 36.6 73 88 A G E -M 54 0C 33 -2,-0.3 27,-2.6 -19,-0.2 2,-0.6 -0.242 28.0-110.9 -74.7 164.8 64.5 23.8 36.3 74 89 A V E +N 99 0C 33 -21,-1.3 25,-0.2 25,-0.2 -21,-0.2 -0.874 30.2 179.4-100.4 122.0 62.8 21.5 38.9 75 90 A Q E + 0 0 120 23,-2.4 2,-0.3 -2,-0.6 24,-0.2 0.795 65.9 14.7 -91.6 -33.9 65.2 19.1 40.6 76 91 A K E -N 98 0C 95 22,-1.7 22,-3.1 2,-0.0 2,-0.5 -0.991 58.1-155.1-149.2 137.1 62.8 17.2 43.0 77 92 A I E -N 97 0C 71 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.952 8.7-174.6-116.6 121.6 59.1 16.8 43.3 78 93 A V E -N 96 0C 28 18,-2.9 18,-2.5 -2,-0.5 2,-0.2 -0.894 7.3-172.2-119.0 100.5 57.5 15.9 46.6 79 94 A V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.601 40.3 -89.1 -88.3 149.4 53.8 15.3 46.5 80 95 A H > - 0 0 23 14,-1.9 3,-1.6 12,-0.3 -1,-0.1 -0.349 36.8-124.8 -58.3 136.9 51.7 14.8 49.6 81 96 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.739 107.1 49.8 -55.2 -28.0 51.8 11.1 50.6 82 97 A Y T 3 S+ 0 0 166 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.440 78.1 129.5 -94.5 0.1 47.9 10.8 50.7 83 98 A W < - 0 0 37 -3,-1.6 2,-0.4 9,-0.2 9,-0.1 -0.299 35.1-172.2 -58.3 134.0 47.3 12.4 47.3 84 99 A N > - 0 0 72 7,-0.5 3,-2.6 3,-0.3 6,-0.2 -0.914 14.7-159.7-132.9 103.9 44.9 10.4 45.0 85 100 A T T 3 S+ 0 0 77 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.721 93.5 57.3 -55.6 -23.9 44.6 11.7 41.5 86 101 A D T 3 S+ 0 0 145 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.494 112.1 41.9 -86.2 -3.4 41.3 9.8 41.1 87 102 A D X + 0 0 75 -3,-2.6 3,-2.1 4,-0.1 4,-0.3 -0.481 55.9 159.5-143.3 68.1 39.8 11.6 44.1 88 103 A V G > S+ 0 0 47 -3,-0.4 3,-1.6 1,-0.3 5,-0.2 0.796 77.3 67.5 -60.0 -27.0 40.6 15.3 44.1 89 104 A A G 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.635 87.5 67.3 -68.3 -14.1 37.6 15.7 46.4 90 105 A A G < S- 0 0 19 -3,-2.1 -1,-0.3 1,-0.3 2,-0.2 0.647 101.4-142.5 -79.6 -15.5 39.6 13.8 49.1 91 106 A G < + 0 0 4 -3,-1.6 -7,-0.5 -4,-0.3 -1,-0.3 -0.572 64.5 122.1 91.5-155.2 42.0 16.7 49.3 92 107 A Y + 0 0 75 -2,-0.2 2,-2.0 1,-0.2 -12,-0.3 0.708 36.2 153.3 63.9 22.7 45.8 16.5 49.8 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.520 31.6 108.3 -84.3 73.9 46.2 18.4 46.6 94 109 A I + 0 0 0 -2,-2.0 -14,-1.9 -51,-0.3 2,-0.3 -0.990 39.1 177.5-151.2 140.3 49.6 20.0 47.4 95 110 A A E -LN 42 79C 0 -53,-2.7 -53,-2.6 -2,-0.3 2,-0.4 -0.983 18.7-141.8-143.9 152.8 53.1 19.5 46.2 96 111 A L E -LN 41 78C 0 -18,-2.5 -18,-2.9 -2,-0.3 2,-0.5 -0.964 13.2-157.7-118.2 131.5 56.5 21.0 46.9 97 112 A L E -LN 40 77C 0 -57,-3.0 -57,-2.4 -2,-0.4 2,-0.7 -0.936 7.0-148.8-113.1 123.5 59.1 21.5 44.1 98 113 A R E -LN 39 76C 61 -22,-3.1 -23,-2.4 -2,-0.5 -22,-1.7 -0.828 23.2-134.7 -91.8 119.7 62.8 21.8 44.9 99 114 A L E - 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