==== 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 2FOF . 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) . 11008.0 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 . 79 32.9 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 . 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 . 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 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 0.000 360.0 360.0 360.0 122.1 40.8 33.9 36.1 2 17 A V B 3 +A 182 0A 11 180,-2.7 180,-1.7 1,-0.2 134,-0.1 -0.782 360.0 8.7 -95.0 136.0 37.2 34.7 34.9 3 18 A G T 3 S+ 0 0 43 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.826 100.1 132.9 68.4 31.5 36.0 38.3 35.4 4 19 A G < - 0 0 30 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.315 47.6-133.7-102.1-171.5 39.4 39.5 36.5 5 20 A T E -B 147 0B 88 142,-2.2 142,-2.3 -2,-0.1 2,-0.1 -0.960 37.2 -82.1-141.1 155.6 41.5 42.5 35.6 6 21 A E E -B 146 0B 105 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.373 47.1-127.7 -62.7 132.3 45.2 42.9 34.7 7 22 A A - 0 0 2 138,-2.9 3,-0.1 1,-0.1 138,-0.1 -0.496 31.5 -93.0 -80.1 149.9 47.4 43.0 37.8 8 23 A Q > - 0 0 144 1,-0.2 3,-1.8 -2,-0.2 4,-0.3 -0.352 64.2 -77.5 -59.8 141.4 49.9 45.8 38.2 9 24 A R T 3 S- 0 0 110 1,-0.3 -1,-0.2 2,-0.1 51,-0.1 -0.177 110.6 -14.9 -46.3 116.0 53.3 44.7 36.8 10 25 A N T 3 S+ 0 0 20 49,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.884 88.5 139.3 53.1 47.0 54.9 42.4 39.3 11 26 A S S < S+ 0 0 50 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.485 73.2 48.8 -94.9 -5.3 52.5 43.4 42.2 12 27 A W S > S+ 0 0 31 -4,-0.3 3,-1.8 96,-0.1 -1,-0.3 -0.665 73.7 175.7-131.4 71.2 52.3 39.8 43.3 13 28 A P T 3 S+ 0 0 38 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.501 71.8 60.0 -57.3 -11.7 56.1 39.0 43.4 14 29 A S T 3 S+ 0 0 10 95,-0.2 20,-2.5 97,-0.1 2,-0.2 0.532 79.3 109.4 -96.8 -6.9 55.6 35.5 44.8 15 30 A Q E < -I 33 0C 6 -3,-1.8 43,-0.4 18,-0.2 44,-0.4 -0.487 48.8-173.0 -71.6 131.6 53.5 34.2 41.9 16 31 A I E -I 32 0C 1 16,-1.9 16,-0.8 -2,-0.2 2,-0.5 -0.876 22.0-130.5-125.8 159.1 55.2 31.8 39.6 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-1.9 -2,-0.3 2,-0.6 -0.947 16.7-152.8-109.5 124.3 54.3 30.1 36.3 18 33 A L E +IJ 30 55C 0 12,-3.1 11,-2.6 -2,-0.5 12,-1.7 -0.871 22.4 179.2 -98.2 117.9 54.7 26.3 36.1 19 34 A Q E -IJ 28 54C 12 35,-2.6 35,-2.2 -2,-0.6 2,-0.3 -0.853 16.2-153.9-121.7 153.8 55.5 25.2 32.5 20 35 A Y E -IJ 27 53C 66 7,-2.2 7,-2.3 -2,-0.3 2,-0.5 -0.855 27.4-105.6-121.5 159.8 56.1 21.8 30.9 21 36 A R E -I 26 0C 118 31,-1.8 2,-0.6 -2,-0.3 31,-0.3 -0.736 28.1-174.1 -90.6 128.6 58.0 21.0 27.7 22 37 A S E > -I 25 0C 52 3,-3.8 3,-2.2 -2,-0.5 2,-0.6 -0.919 66.0 -56.0-121.3 100.5 56.0 20.1 24.6 23 38 A G T 3 S- 0 0 62 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.537 121.5 -20.4 68.4-112.5 58.4 19.0 21.9 24 39 A S T 3 S+ 0 0 125 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.3 0.239 128.6 74.2-111.9 10.5 60.7 21.9 21.5 25 40 A S E < S-I 22 0C 67 -3,-2.2 -3,-3.8 2,-0.0 2,-0.3 -0.819 70.8-129.5-123.3 162.4 58.4 24.4 23.1 26 41 A W E -I 21 0C 87 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.870 19.5-165.9-112.2 145.6 57.2 25.3 26.6 27 42 A A E -I 20 0C 30 -7,-2.3 -7,-2.2 -2,-0.3 2,-0.2 -0.996 22.9-118.9-136.5 136.7 53.6 25.7 27.7 28 43 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.470 39.0 158.5 -68.9 135.8 52.1 27.2 30.9 29 44 A T E + 0 0 48 -11,-2.6 157,-0.3 1,-0.4 2,-0.3 0.591 56.7 3.0-130.6 -28.7 50.0 24.7 32.8 30 45 A a E -I 18 0C 5 -12,-1.7 -12,-3.1 157,-0.1 -1,-0.4 -0.964 58.4-118.0-155.5 169.9 49.7 25.9 36.4 31 46 A G E +I 17 0C 1 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.434 31.0 174.0-101.9-179.6 50.4 28.6 38.9 32 47 A G E -I 16 0C 0 -16,-0.8 -16,-1.9 -2,-0.2 2,-0.4 -0.974 27.0-112.8-173.6 173.9 52.5 28.3 42.1 33 48 A T E -IK 15 41C 1 8,-2.6 8,-2.9 -2,-0.3 2,-0.7 -0.988 20.0-132.9-130.5 127.4 54.0 30.2 45.0 34 49 A L E + K 0 40C 1 -20,-2.5 78,-2.9 -2,-0.4 6,-0.2 -0.661 34.0 163.9 -75.8 112.9 57.7 30.8 45.7 35 50 A I E + 0 0 2 4,-1.9 2,-0.3 -2,-0.7 5,-0.2 0.626 66.8 15.0-105.6 -18.3 58.1 30.0 49.4 36 51 A R E > S- K 0 39C 102 3,-1.7 3,-1.4 74,-0.1 -1,-0.3 -0.939 87.1-100.7-146.7 161.9 61.9 29.6 49.5 37 52 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.763 127.7 24.1 -58.4 -24.1 64.6 30.7 47.1 38 53 A N T 3 S+ 0 0 39 64,-0.2 61,-2.1 62,-0.1 2,-0.4 0.075 113.2 79.6-129.6 25.0 64.7 27.1 46.0 39 54 A W E < -KL 36 98C 6 -3,-1.4 -4,-1.9 59,-0.2 -3,-1.7 -0.995 50.8-169.8-138.1 133.7 61.2 25.8 46.9 40 55 A V E -KL 34 97C 1 57,-2.5 57,-3.0 -2,-0.4 2,-0.5 -0.953 11.4-148.8-122.4 139.5 57.9 26.2 45.1 41 56 A M E +KL 33 96C 0 -8,-2.9 -8,-2.6 -2,-0.4 2,-0.2 -0.925 35.8 138.6-108.1 129.3 54.4 25.3 46.5 42 57 A T E - L 0 95C 0 53,-2.6 53,-2.5 -2,-0.5 2,-0.3 -0.792 52.3 -61.0-150.3-169.6 51.8 24.2 44.0 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.6 -0.661 32.2-137.1 -89.0 142.2 48.9 21.7 43.4 44 59 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.876 104.4 58.8 -61.8 -38.8 49.6 18.0 43.3 45 60 A H G >4 S+ 0 0 57 1,-0.3 3,-0.5 2,-0.2 -1,-0.3 0.625 95.8 65.6 -69.6 -8.5 47.3 17.5 40.3 46 61 A a G <4 S+ 0 0 10 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.767 109.6 35.7 -80.5 -26.9 49.6 19.9 38.4 47 62 A V G << S+ 0 0 10 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 -0.061 82.3 107.9-117.5 31.9 52.5 17.5 38.6 48 63 A D < + 0 0 53 -3,-0.5 -1,-0.1 2,-0.1 2,-0.1 0.878 68.2 73.5 -72.8 -40.2 50.7 14.1 38.3 49 64 A R S S- 0 0 186 -4,-0.2 2,-1.3 -3,-0.2 0, 0.0 -0.424 89.6-118.9 -76.0 150.1 52.0 13.6 34.8 50 65 A E + 0 0 200 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.719 63.3 132.2 -92.9 89.6 55.6 12.7 34.1 51 66 A L - 0 0 71 -2,-1.3 2,-0.6 -4,-0.1 -29,-0.1 -0.802 65.1 -92.2-130.5 169.8 56.7 15.6 32.0 52 67 A T - 0 0 70 -31,-0.3 -31,-1.8 -2,-0.3 2,-0.3 -0.788 49.3-165.8 -89.0 122.4 59.7 18.0 32.1 53 68 A F E -J 20 0C 13 -2,-0.6 21,-1.0 -33,-0.2 2,-0.3 -0.746 14.5-177.1-111.0 157.8 58.9 21.0 34.2 54 69 A R E -JM 19 73C 53 -35,-2.2 -35,-2.6 -2,-0.3 2,-0.4 -0.980 17.8-136.5-147.8 151.3 60.4 24.5 34.6 55 70 A V E -JM 18 72C 0 17,-3.0 17,-2.4 -2,-0.3 2,-0.5 -0.916 10.8-161.5-113.3 138.9 59.5 27.4 36.9 56 71 A V E -JM 17 71C 0 -39,-1.9 -39,-2.0 -2,-0.4 3,-0.3 -0.976 10.2-173.5-122.8 117.1 59.5 31.0 35.7 57 72 A V E + M 0 70C 1 13,-2.1 13,-1.6 -2,-0.5 -41,-0.1 -0.647 66.0 33.0-104.2 164.7 59.6 33.8 38.4 58 73 A G S S+ 0 0 3 50,-0.4 10,-0.2 -43,-0.4 -1,-0.2 0.737 86.4 153.9 63.2 24.7 59.3 37.5 37.8 59 74 A E + 0 0 12 -44,-0.4 -1,-0.2 -3,-0.3 -49,-0.2 -0.515 18.7 148.3 -88.3 151.0 56.8 36.8 35.0 60 75 A H S S+ 0 0 4 1,-0.2 85,-1.3 4,-0.2 2,-0.6 0.418 70.2 38.2-142.0 -54.0 54.0 39.1 33.8 61 76 A N B > -O 144 0D 12 3,-0.3 3,-1.2 83,-0.2 -1,-0.2 -0.939 64.3-158.5-111.8 112.6 53.4 38.7 30.1 62 77 A L T 3 S+ 0 0 35 81,-2.8 -1,-0.1 -2,-0.6 82,-0.1 0.710 91.4 41.9 -61.4 -24.0 53.7 35.0 29.0 63 78 A N T 3 S+ 0 0 116 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.362 111.1 57.3-107.7 5.7 54.4 35.9 25.3 64 79 A Q S < S- 0 0 122 -3,-1.2 2,-0.8 79,-0.2 -3,-0.3 -0.960 83.6-107.3-137.1 155.4 56.8 38.9 25.7 65 80 A N + 0 0 137 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.708 30.5 179.4 -82.0 110.5 60.1 39.6 27.3 66 81 A N - 0 0 28 -2,-0.8 -1,-0.2 -5,-0.2 -4,-0.0 0.551 41.4-123.8 -86.9 -9.7 59.4 41.8 30.4 67 82 A G S S+ 0 0 59 -3,-0.1 -2,-0.1 1,-0.0 -8,-0.1 0.706 96.1 79.0 74.3 20.5 63.0 42.0 31.3 68 83 A T + 0 0 20 -10,-0.2 -9,-0.1 -11,-0.1 40,-0.1 0.404 62.9 117.0-135.3 -4.8 62.4 40.6 34.8 69 84 A E - 0 0 25 -13,-0.0 2,-0.4 40,-0.0 -11,-0.2 -0.266 38.7-168.8 -73.0 154.2 62.1 36.9 34.2 70 85 A Q E -M 57 0C 44 -13,-1.6 -13,-2.1 2,-0.0 2,-0.5 -0.983 10.0-154.6-140.5 126.4 64.3 34.1 35.6 71 86 A Y E +M 56 0C 119 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.902 19.1 168.4-109.1 133.0 64.0 30.5 34.4 72 87 A V E -M 55 0C 10 -17,-2.4 -17,-3.0 -2,-0.5 -2,-0.0 -1.000 27.5-120.7-145.0 143.2 65.0 27.6 36.5 73 88 A G E -M 54 0C 29 -2,-0.3 27,-2.7 -19,-0.2 2,-0.6 -0.232 22.9-117.9 -78.1 168.8 64.5 23.8 36.3 74 89 A V E +N 99 0C 33 -21,-1.0 25,-0.2 25,-0.3 -21,-0.2 -0.935 29.1 174.2-109.0 118.6 62.8 21.5 38.8 75 90 A Q E + 0 0 120 23,-2.0 2,-0.3 -2,-0.6 24,-0.2 0.657 66.2 26.5 -99.3 -16.5 65.1 18.9 40.3 76 91 A K E -N 98 0C 82 22,-1.5 22,-2.3 2,-0.0 2,-0.5 -0.989 56.7-162.4-150.3 138.1 62.7 17.3 42.8 77 92 A I E -N 97 0C 73 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.961 6.3-174.0-123.8 116.8 58.9 16.8 43.2 78 93 A V E -N 96 0C 30 18,-2.8 18,-2.5 -2,-0.5 2,-0.3 -0.888 7.0-171.8-114.3 103.9 57.4 16.0 46.5 79 94 A V E -N 95 0C 44 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.658 39.8 -92.7 -90.7 147.7 53.7 15.2 46.4 80 95 A H > - 0 0 19 14,-1.8 3,-1.8 12,-0.3 -1,-0.1 -0.395 35.1-126.9 -60.1 133.3 51.7 14.8 49.6 81 96 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.660 106.1 52.5 -56.7 -19.6 51.7 11.0 50.4 82 97 A Y T 3 S+ 0 0 160 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.489 77.9 126.2 -97.5 -3.0 47.9 10.9 50.7 83 98 A W < - 0 0 32 -3,-1.8 2,-0.5 9,-0.2 9,-0.1 -0.300 39.9-167.1 -58.9 133.2 47.1 12.6 47.3 84 99 A N > - 0 0 72 7,-0.5 3,-1.6 3,-0.3 6,-0.2 -0.961 14.4-157.3-128.5 112.3 44.8 10.5 45.1 85 100 A T T 3 S+ 0 0 79 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.743 94.8 51.7 -58.4 -27.7 44.5 11.5 41.5 86 101 A D T 3 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.490 112.9 44.8 -89.8 -4.0 41.0 9.8 41.1 87 102 A D X + 0 0 78 -3,-1.6 3,-2.0 1,-0.1 -3,-0.3 -0.537 55.3 158.9-139.7 70.7 39.6 11.6 44.2 88 103 A V G > S+ 0 0 48 -3,-0.3 3,-1.7 1,-0.3 5,-0.2 0.810 77.2 65.7 -62.8 -27.4 40.5 15.3 44.1 89 104 A A G 3 S+ 0 0 29 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.553 86.6 71.2 -71.8 -6.5 37.5 15.9 46.4 90 105 A A G < S- 0 0 27 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.596 100.3-141.1 -83.5 -11.5 39.4 13.9 49.0 91 106 A G < + 0 0 4 -3,-1.7 -7,-0.5 -4,-0.2 -1,-0.3 -0.486 66.7 117.8 88.5-158.7 41.8 16.8 49.4 92 107 A Y + 0 0 83 1,-0.2 2,-1.9 79,-0.2 -12,-0.3 0.721 38.0 156.3 63.7 23.0 45.6 16.7 49.9 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 -1,-0.2 -0.538 32.1 106.1 -82.3 78.4 46.0 18.5 46.6 94 109 A I + 0 0 0 -2,-1.9 -14,-1.8 -51,-0.3 2,-0.3 -0.989 39.2 177.7-157.2 145.1 49.4 20.0 47.3 95 110 A A E -LN 42 79C 0 -53,-2.5 -53,-2.6 -2,-0.3 2,-0.4 -0.994 19.0-139.6-149.8 152.0 53.1 19.5 46.3 96 111 A L E -LN 41 78C 0 -18,-2.5 -18,-2.8 -2,-0.3 2,-0.5 -0.938 14.5-157.6-115.3 135.0 56.5 21.1 46.9 97 112 A L E -LN 40 77C 0 -57,-3.0 -57,-2.5 -2,-0.4 2,-0.6 -0.952 6.6-149.6-116.9 125.0 59.0 21.5 44.1 98 113 A R E -LN 39 76C 70 -22,-2.3 -23,-2.0 -2,-0.5 -22,-1.5 -0.816 23.7-134.9 -90.9 124.9 62.7 21.9 44.8 99 114 A L E - 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