==== 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 2FOD . 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) . 10955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 65.0 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 . 22 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.7 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 0.000 360.0 360.0 360.0 122.7 40.9 34.1 36.0 2 17 A V B 3 +A 182 0A 10 180,-3.2 180,-1.9 1,-0.2 134,-0.1 -0.795 360.0 9.2 -95.3 134.2 37.4 34.9 34.8 3 18 A G T 3 S+ 0 0 44 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.764 100.2 125.7 73.1 26.7 36.1 38.4 35.4 4 19 A G < - 0 0 29 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.331 50.8-130.1-105.3-170.7 39.4 39.9 36.4 5 20 A T E -B 147 0B 91 142,-2.5 142,-2.6 -2,-0.1 2,-0.0 -0.953 38.4 -80.6-139.0 156.2 41.6 42.7 35.4 6 21 A E E -B 146 0B 103 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.311 46.4-127.9 -60.3 135.0 45.3 43.0 34.6 7 22 A A - 0 0 2 138,-2.7 2,-0.1 1,-0.1 3,-0.1 -0.526 30.4 -97.0 -81.9 150.5 47.6 43.2 37.6 8 23 A Q > - 0 0 153 -2,-0.2 3,-2.2 1,-0.1 4,-0.2 -0.502 63.1 -85.9 -62.8 137.0 50.1 46.0 37.9 9 24 A R T 3 S- 0 0 118 1,-0.3 -1,-0.1 -2,-0.1 51,-0.1 -0.195 107.5 -2.5 -53.4 129.5 53.3 44.4 36.7 10 25 A N T 3 S+ 0 0 27 49,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.640 88.7 129.7 65.1 18.2 55.1 42.5 39.5 11 26 A S S < S+ 0 0 45 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.581 77.0 44.4 -78.1 -8.1 52.6 43.6 42.1 12 27 A W S > S+ 0 0 32 -4,-0.2 3,-1.7 96,-0.1 -1,-0.3 -0.629 74.5 173.1-133.0 70.0 52.4 39.9 43.2 13 28 A P T 3 S+ 0 0 37 0, 0.0 97,-1.7 0, 0.0 45,-0.3 0.427 70.8 60.5 -59.4 -7.8 56.1 39.0 43.2 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.5 97,-0.1 2,-0.3 0.572 79.6 106.2 -97.9 -11.5 55.6 35.5 44.8 15 30 A Q E < -I 33 0C 6 -3,-1.7 43,-0.4 18,-0.2 44,-0.4 -0.492 51.3-174.4 -69.0 129.2 53.5 34.3 41.9 16 31 A I E -I 32 0C 1 16,-1.9 16,-0.8 -2,-0.3 2,-0.5 -0.823 22.4-126.7-123.5 163.9 55.3 31.9 39.6 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.4 -2,-0.3 2,-0.6 -0.950 16.1-153.0-112.3 128.5 54.4 30.2 36.3 18 33 A L E +IJ 30 55C 0 12,-3.2 11,-3.0 -2,-0.5 12,-1.9 -0.907 23.0 174.9-103.0 118.1 54.7 26.4 36.0 19 34 A Q E -IJ 28 54C 12 35,-2.5 35,-2.2 -2,-0.6 2,-0.3 -0.876 18.5-151.2-124.5 154.1 55.4 25.3 32.5 20 35 A Y E -IJ 27 53C 65 7,-1.8 7,-1.8 -2,-0.3 2,-0.4 -0.913 29.3-104.2-122.7 152.7 56.2 21.9 30.8 21 36 A R E -I 26 0C 120 31,-2.2 2,-0.6 -2,-0.3 31,-0.3 -0.609 30.6-171.4 -79.4 128.0 58.2 21.2 27.7 22 37 A S E > -I 25 0C 60 3,-4.1 3,-1.7 -2,-0.4 2,-0.8 -0.934 64.2 -55.0-119.6 104.0 56.1 20.3 24.7 23 38 A G T 3 S- 0 0 59 -2,-0.6 -2,-0.0 1,-0.3 3,-0.0 -0.513 123.9 -18.0 67.0-106.9 58.3 19.1 21.9 24 39 A S T 3 S+ 0 0 122 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.3 0.040 130.1 58.7-120.6 24.4 60.8 22.0 21.6 25 40 A S E < S-I 22 0C 67 -3,-1.7 -3,-4.1 -5,-0.0 2,-0.3 -0.916 74.8-113.7-145.2 170.6 58.8 24.7 23.4 26 41 A W E -I 21 0C 97 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.2 -0.796 19.1-161.5-111.9 152.5 57.2 25.4 26.8 27 42 A A E -I 20 0C 32 -7,-1.8 -7,-1.8 -2,-0.3 2,-0.1 -0.992 23.6-120.4-137.5 130.0 53.6 25.8 27.8 28 43 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.438 41.0 158.8 -63.3 133.4 52.1 27.5 30.9 29 44 A T E + 0 0 46 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.615 55.5 3.5-128.0 -32.2 50.1 24.9 32.8 30 45 A a E -I 18 0C 5 -12,-1.9 -12,-3.2 157,-0.1 -1,-0.4 -0.958 58.3-120.1-152.9 168.6 49.8 26.1 36.3 31 46 A G E +I 17 0C 1 157,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.443 31.6 172.8-101.1 179.2 50.4 28.8 38.9 32 47 A G E -I 16 0C 0 -16,-0.8 -16,-1.9 -2,-0.2 2,-0.4 -0.972 28.0-111.2-172.7 175.8 52.4 28.4 42.1 33 48 A T E -IK 15 41C 0 8,-2.7 8,-3.0 -2,-0.3 2,-0.6 -0.986 20.3-133.7-131.8 124.8 53.9 30.3 45.0 34 49 A L E + K 0 40C 1 -20,-2.5 78,-2.9 -2,-0.4 6,-0.2 -0.632 33.1 164.0 -73.8 115.7 57.6 30.9 45.7 35 50 A I E + 0 0 2 4,-2.0 2,-0.3 -2,-0.6 5,-0.2 0.594 66.2 17.3-109.8 -14.9 58.1 30.1 49.4 36 51 A R E > S- K 0 39C 98 3,-1.7 3,-1.1 74,-0.1 -1,-0.3 -0.942 87.6-100.6-146.7 162.6 61.9 29.7 49.4 37 52 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.9 1,-0.3 64,-0.1 0.744 128.5 23.1 -60.1 -18.2 64.6 30.8 47.1 38 53 A N T 3 S+ 0 0 48 64,-0.2 61,-2.7 62,-0.1 2,-0.4 0.147 112.0 80.6-133.4 18.9 64.6 27.2 45.9 39 54 A W E < -KL 36 98C 2 -3,-1.1 -4,-2.0 59,-0.2 -3,-1.7 -0.993 50.3-170.6-132.1 135.7 61.1 25.9 46.9 40 55 A V E -KL 34 97C 0 57,-1.9 57,-2.9 -2,-0.4 2,-0.5 -0.978 11.7-148.2-125.6 135.8 57.8 26.3 45.1 41 56 A M E +KL 33 96C 0 -8,-3.0 -8,-2.7 -2,-0.4 2,-0.2 -0.875 35.2 138.9-103.4 132.9 54.4 25.4 46.4 42 57 A T E - L 0 95C 0 53,-2.6 53,-2.4 -2,-0.5 2,-0.3 -0.808 51.9 -59.6-152.3-167.7 51.7 24.3 43.9 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.3 51,-0.3 4,-0.7 -0.660 33.2-136.4 -88.6 142.0 48.9 21.8 43.3 44 59 A A G >4 S+ 0 0 0 -2,-0.3 3,-0.9 1,-0.3 -1,-0.1 0.885 104.8 59.4 -62.7 -36.0 49.6 18.1 43.3 45 60 A H G 34 S+ 0 0 58 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.589 96.3 63.1 -72.3 -4.9 47.4 17.7 40.2 46 61 A a G <4 S+ 0 0 10 -3,-1.3 3,-0.3 1,-0.2 -1,-0.2 0.791 111.5 34.7 -84.9 -30.5 49.7 20.0 38.3 47 62 A V S << S+ 0 0 11 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.028 85.2 109.3-112.3 25.1 52.7 17.7 38.6 48 63 A D + 0 0 57 -3,-0.2 2,-0.2 2,-0.1 -1,-0.2 0.813 68.2 69.8 -66.4 -35.0 50.7 14.5 38.4 49 64 A R S S- 0 0 189 -3,-0.3 2,-1.7 -4,-0.2 0, 0.0 -0.606 90.2-115.5 -91.3 148.0 52.1 13.7 34.9 50 65 A E + 0 0 198 -2,-0.2 2,-0.2 2,-0.0 -2,-0.1 -0.568 66.1 129.9 -85.1 81.5 55.7 12.7 34.1 51 66 A L - 0 0 61 -2,-1.7 2,-0.6 -4,-0.1 -29,-0.1 -0.699 66.2 -93.5-123.0 173.1 56.7 15.7 32.1 52 67 A T - 0 0 67 -31,-0.3 -31,-2.2 -2,-0.2 2,-0.3 -0.834 48.1-165.5 -93.6 122.4 59.7 18.1 32.1 53 68 A F E -J 20 0C 13 -2,-0.6 21,-1.0 -33,-0.2 2,-0.3 -0.757 14.6-178.4-111.2 156.4 58.8 21.2 34.2 54 69 A R E -JM 19 73C 55 -35,-2.2 -35,-2.5 -2,-0.3 2,-0.4 -0.977 18.5-135.7-146.8 152.4 60.4 24.6 34.6 55 70 A V E -JM 18 72C 0 17,-3.0 17,-2.3 -2,-0.3 2,-0.5 -0.924 9.7-158.8-115.3 136.1 59.5 27.6 36.8 56 71 A V E -JM 17 71C 0 -39,-2.4 -39,-2.1 -2,-0.4 3,-0.3 -0.962 11.8-172.5-116.9 123.1 59.4 31.2 35.7 57 72 A V E + M 0 70C 1 13,-2.4 13,-1.4 -2,-0.5 -41,-0.1 -0.711 65.9 28.7-109.2 162.5 59.6 34.0 38.3 58 73 A G S S+ 0 0 3 -43,-0.4 10,-0.2 50,-0.4 2,-0.2 0.751 87.5 155.0 61.5 24.5 59.2 37.7 37.9 59 74 A E + 0 0 12 -44,-0.4 -49,-0.3 -3,-0.3 -1,-0.2 -0.526 18.6 149.2 -86.7 148.4 56.9 37.0 35.0 60 75 A H + 0 0 3 1,-0.3 85,-1.4 4,-0.2 2,-0.7 0.426 69.7 38.8-137.0 -60.6 54.1 39.3 33.7 61 76 A N B > -O 144 0D 12 83,-0.2 3,-1.3 3,-0.2 -1,-0.3 -0.890 65.2-159.5-103.2 110.5 53.5 38.9 30.0 62 77 A L T 3 S+ 0 0 37 81,-3.3 -1,-0.1 -2,-0.7 82,-0.1 0.777 90.1 45.8 -58.4 -29.9 53.8 35.3 29.0 63 78 A N T 3 S+ 0 0 114 80,-0.4 2,-0.3 -3,-0.1 -1,-0.2 0.418 111.5 51.1 -97.1 1.7 54.5 36.1 25.3 64 79 A Q S < S- 0 0 111 -3,-1.3 2,-0.7 79,-0.2 -4,-0.2 -0.896 83.5-103.3-136.8 166.5 57.0 38.9 25.7 65 80 A N + 0 0 132 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.799 30.3 178.1 -88.7 115.6 60.3 39.7 27.4 66 81 A N - 0 0 27 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.526 42.9-124.1 -93.8 -7.0 59.5 42.0 30.4 67 82 A G S S+ 0 0 54 -3,-0.1 -2,-0.1 1,-0.0 -8,-0.1 0.695 95.9 82.3 72.9 18.9 63.1 42.1 31.4 68 83 A T + 0 0 14 -10,-0.2 40,-0.1 -11,-0.1 -9,-0.1 0.405 63.7 113.8-130.5 -4.0 62.3 40.9 34.9 69 84 A E - 0 0 26 -13,-0.0 2,-0.3 40,-0.0 -11,-0.2 -0.242 40.3-168.5 -75.3 158.9 62.1 37.1 34.4 70 85 A Q E -M 57 0C 45 -13,-1.4 -13,-2.4 2,-0.0 2,-0.5 -0.969 10.5-155.2-144.6 126.3 64.2 34.2 35.7 71 86 A Y E +M 56 0C 116 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.919 19.7 166.5-110.8 129.5 63.9 30.7 34.4 72 87 A V E -M 55 0C 14 -17,-2.3 -17,-3.0 -2,-0.5 2,-0.0 -0.992 28.2-119.8-142.8 148.2 64.9 27.7 36.4 73 88 A G E -M 54 0C 27 -2,-0.3 27,-3.1 -19,-0.2 28,-0.5 -0.279 22.2-120.6 -81.8 169.7 64.4 23.9 36.3 74 89 A V E +N 99 0C 31 -21,-1.0 25,-0.2 25,-0.3 -21,-0.2 -0.947 27.0 174.3-111.3 126.5 62.8 21.6 38.8 75 90 A Q E + 0 0 119 23,-2.3 2,-0.3 -2,-0.5 24,-0.2 0.556 66.9 30.1-108.9 -10.6 64.9 18.8 40.3 76 91 A K E -N 98 0C 94 22,-1.3 22,-2.4 2,-0.0 2,-0.5 -0.950 56.6-165.2-154.0 129.2 62.6 17.3 42.9 77 92 A I E -N 97 0C 65 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.956 6.4-172.3-118.5 116.4 58.8 17.0 43.2 78 93 A V E -N 96 0C 30 18,-3.0 18,-2.5 -2,-0.5 2,-0.3 -0.904 7.2-170.3-111.7 106.3 57.3 16.1 46.5 79 94 A V E -N 95 0C 47 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.660 39.3 -91.5 -92.2 148.6 53.6 15.3 46.3 80 95 A H > - 0 0 19 14,-1.9 3,-1.6 12,-0.3 -1,-0.1 -0.382 36.8-126.7 -58.6 134.0 51.5 14.9 49.5 81 96 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.695 105.8 49.5 -57.4 -21.2 51.6 11.2 50.3 82 97 A Y T 3 S+ 0 0 163 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.477 77.8 128.7 -98.8 -2.0 47.8 11.0 50.5 83 98 A W < - 0 0 32 -3,-1.6 2,-0.5 9,-0.2 9,-0.1 -0.284 38.5-167.2 -56.9 131.8 47.0 12.7 47.2 84 99 A N > - 0 0 72 7,-0.5 3,-2.3 3,-0.3 6,-0.2 -0.931 13.2-159.1-126.9 107.3 44.6 10.6 45.1 85 100 A T T 3 S+ 0 0 78 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.754 93.5 54.1 -53.4 -31.4 44.3 11.7 41.5 86 101 A D T 3 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.396 112.9 43.5 -86.6 1.8 40.9 10.0 41.1 87 102 A D X + 0 0 74 -3,-2.3 3,-1.5 4,-0.1 -3,-0.3 -0.512 57.1 158.9-146.8 71.4 39.4 11.7 44.1 88 103 A V G > S+ 0 0 48 -3,-0.4 3,-1.9 1,-0.3 5,-0.2 0.823 76.0 65.4 -64.0 -31.3 40.3 15.4 44.1 89 104 A A G 3 S+ 0 0 30 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.607 88.3 70.6 -67.3 -10.8 37.4 16.1 46.4 90 105 A A G < S- 0 0 29 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.648 101.0-141.1 -78.8 -16.0 39.2 14.1 49.0 91 106 A G < + 0 0 2 -3,-1.9 -7,-0.5 -4,-0.2 -1,-0.3 -0.529 66.2 118.8 92.4-158.9 41.8 16.9 49.3 92 107 A Y + 0 0 83 1,-0.2 2,-1.9 -2,-0.2 -12,-0.3 0.702 37.5 154.6 65.2 21.3 45.5 16.7 49.7 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 -1,-0.2 -0.550 32.6 104.5 -82.2 80.1 46.0 18.6 46.5 94 109 A I + 0 0 0 -2,-1.9 -14,-1.9 -51,-0.3 2,-0.3 -0.983 39.4 176.7-158.4 145.9 49.4 20.1 47.2 95 110 A A E -LN 42 79C 0 -53,-2.4 -53,-2.6 -2,-0.3 2,-0.4 -0.984 19.1-138.4-150.2 156.8 53.0 19.6 46.2 96 111 A L E -LN 41 78C 0 -18,-2.5 -18,-3.0 -2,-0.3 2,-0.5 -0.966 12.5-156.0-122.2 135.5 56.4 21.2 46.8 97 112 A L E -LN 40 77C 0 -57,-2.9 -57,-1.9 -2,-0.4 2,-0.7 -0.944 6.9-150.1-115.7 119.4 59.0 21.6 44.1 98 113 A R E -LN 39 76C 45 -22,-2.4 -23,-2.3 -2,-0.5 -22,-1.3 -0.782 27.6-132.7 -85.6 120.2 62.7 21.9 44.9 99 114 A L E - 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