==== 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 2FOH . 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) . 10879.0 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 . 84 35.0 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 . 21 8.8 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 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 . 6 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 0.000 360.0 360.0 360.0 121.5 40.3 33.6 36.1 2 17 A V B 3 +A 182 0A 10 180,-2.7 180,-1.7 1,-0.2 134,-0.2 -0.752 360.0 9.7 -92.7 139.3 36.8 34.3 35.0 3 18 A G T 3 S+ 0 0 40 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.772 99.2 134.8 66.5 26.9 35.5 37.8 35.6 4 19 A G < - 0 0 21 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.352 47.4-132.8 -99.3-178.1 38.9 39.1 36.7 5 20 A T E -B 147 0B 89 142,-2.7 142,-2.6 -2,-0.1 2,-0.2 -0.898 38.5 -83.2-129.9 160.1 40.9 42.3 36.0 6 21 A E E -B 146 0B 116 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.472 48.3-128.8 -68.3 129.5 44.5 42.7 35.0 7 22 A A - 0 0 3 138,-2.6 138,-0.1 -2,-0.2 -1,-0.1 -0.433 26.0 -98.1 -78.3 152.5 46.8 42.7 38.0 8 23 A Q > - 0 0 133 1,-0.1 3,-1.7 -2,-0.1 4,-0.5 -0.399 40.8-108.1 -65.6 146.7 49.3 45.4 38.7 9 24 A R T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.748 113.9 26.7 -50.0 -31.9 52.8 44.4 37.6 10 25 A N T 3 S+ 0 0 90 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.091 89.3 102.8-123.6 26.7 54.1 44.0 41.1 11 26 A S S < S+ 0 0 52 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.855 90.8 29.7 -76.5 -36.2 51.0 43.2 43.2 12 27 A W > + 0 0 27 -4,-0.5 3,-1.8 1,-0.1 -1,-0.2 -0.568 65.5 165.8-127.9 70.8 51.6 39.5 43.6 13 28 A P T 3 S+ 0 0 36 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.532 72.9 61.5 -62.4 -10.4 55.3 38.8 43.6 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.4 97,-0.1 98,-0.2 0.531 78.5 109.7 -95.1 -6.4 55.0 35.2 44.9 15 30 A Q E < -I 33 0C 6 -3,-1.8 43,-0.5 18,-0.2 44,-0.4 -0.476 48.3-174.8 -69.9 134.3 52.9 34.1 42.0 16 31 A I E -IJ 32 57C 0 16,-1.9 16,-0.8 -2,-0.2 2,-0.5 -0.882 23.4-129.7-128.3 161.7 54.7 31.7 39.6 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-2.1 -2,-0.3 2,-0.6 -0.964 16.5-153.2-111.8 123.4 53.9 30.0 36.3 18 33 A L E -IJ 30 55C 0 12,-3.1 11,-2.6 -2,-0.5 12,-1.8 -0.883 23.4-179.6 -97.2 121.1 54.5 26.2 36.2 19 34 A Q E -IJ 28 54C 10 35,-2.7 35,-2.3 -2,-0.6 2,-0.3 -0.868 16.9-152.1-123.7 155.4 55.2 25.2 32.6 20 35 A Y E -IJ 27 53C 74 7,-2.3 7,-2.4 -2,-0.3 2,-0.5 -0.892 28.3-104.9-123.3 156.5 55.9 22.0 30.8 21 36 A R E -I 26 0C 117 31,-1.8 2,-0.6 -2,-0.3 31,-0.3 -0.694 29.8-174.0 -85.0 125.6 57.9 21.2 27.6 22 37 A S E > -I 25 0C 48 3,-3.8 3,-1.5 -2,-0.5 2,-0.8 -0.880 64.8 -57.3-119.6 94.8 55.8 20.5 24.6 23 38 A G T 3 S- 0 0 59 -2,-0.6 -2,-0.0 1,-0.3 3,-0.0 -0.603 121.5 -17.9 74.0-109.7 58.1 19.5 21.8 24 39 A S T 3 S+ 0 0 126 -2,-0.8 2,-0.3 -3,-0.1 -1,-0.3 0.155 129.4 66.7-115.4 15.7 60.5 22.4 21.4 25 40 A S E < S-I 22 0C 60 -3,-1.5 -3,-3.8 -5,-0.0 2,-0.3 -0.905 74.1-122.2-134.5 162.8 58.3 25.0 23.3 26 41 A W E -I 21 0C 92 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.829 21.6-163.5-107.4 145.2 57.0 25.6 26.8 27 42 A A E -I 20 0C 28 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.2 -0.991 22.1-119.1-132.0 136.5 53.4 25.9 27.8 28 43 A H E +I 19 0C 20 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.475 39.9 158.0 -69.0 137.3 51.8 27.2 30.9 29 44 A T E + 0 0 47 -11,-2.6 2,-0.3 1,-0.4 157,-0.3 0.590 56.8 6.2-131.9 -30.2 49.8 24.6 32.8 30 45 A a E -I 18 0C 4 -12,-1.8 -12,-3.1 157,-0.1 -1,-0.4 -0.964 58.3-123.1-152.7 166.9 49.4 25.7 36.4 31 46 A G E +I 17 0C 1 157,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.419 30.8 172.9-101.2-178.6 50.0 28.5 38.9 32 47 A G E -I 16 0C 0 -16,-0.8 -16,-1.9 -2,-0.2 2,-0.4 -0.968 28.1-111.3-174.8 174.6 52.0 28.2 42.1 33 48 A T E -IK 15 41C 0 8,-2.6 8,-3.1 -2,-0.3 2,-0.6 -0.991 20.6-132.5-128.4 130.0 53.5 30.1 45.1 34 49 A L E + K 0 40C 1 -20,-2.4 78,-3.2 -2,-0.4 6,-0.2 -0.704 33.8 165.0 -78.1 118.3 57.1 30.7 45.8 35 50 A I E + 0 0 2 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.607 66.0 15.7-110.8 -16.6 57.5 29.8 49.5 36 51 A R E > S- K 0 39C 95 3,-1.7 3,-1.3 74,-0.1 -1,-0.3 -0.934 88.6 -99.6-146.5 161.5 61.3 29.5 49.7 37 52 A Q T 3 S+ 0 0 90 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.776 127.5 24.7 -58.3 -23.2 64.1 30.7 47.4 38 53 A N T 3 S+ 0 0 52 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.119 113.1 78.0-128.2 22.3 64.2 27.1 46.1 39 54 A W E < -KL 36 98C 5 -3,-1.3 -4,-2.1 59,-0.2 -3,-1.7 -0.998 50.9-169.9-136.6 137.7 60.7 25.8 46.9 40 55 A V E -KL 34 97C 0 57,-2.0 57,-2.9 -2,-0.4 2,-0.5 -0.966 12.4-146.4-126.2 139.6 57.4 26.2 45.2 41 56 A M E +KL 33 96C 0 -8,-3.1 -8,-2.6 -2,-0.4 2,-0.2 -0.901 35.1 141.5-106.2 131.6 53.9 25.2 46.4 42 57 A T E - L 0 95C 0 53,-2.5 53,-2.5 -2,-0.5 2,-0.3 -0.793 51.8 -66.0-150.0-170.4 51.3 24.0 43.9 43 58 A A > - 0 0 0 -12,-0.4 3,-1.1 51,-0.3 4,-0.5 -0.667 32.9-133.2 -90.0 145.2 48.5 21.5 43.4 44 59 A A G > S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.2 -1,-0.1 0.865 105.3 61.6 -63.6 -35.2 49.3 17.8 43.3 45 60 A H G > S+ 0 0 54 1,-0.3 3,-0.7 2,-0.2 4,-0.3 0.677 92.6 67.1 -67.9 -12.8 47.1 17.4 40.2 46 61 A a G < S+ 0 0 9 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.761 107.5 38.3 -75.5 -24.8 49.4 19.7 38.3 47 62 A V G < S+ 0 0 15 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.030 81.3 105.7-115.5 27.4 52.2 17.2 38.5 48 63 A D S < S+ 0 0 59 -3,-0.7 2,-0.3 2,-0.1 -1,-0.1 0.882 70.8 70.3 -71.4 -38.4 50.3 14.0 37.9 49 64 A R S S- 0 0 189 -4,-0.3 2,-1.5 -3,-0.2 0, 0.0 -0.604 90.8-122.1 -82.2 139.4 51.5 13.7 34.4 50 65 A E + 0 0 195 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 -0.627 60.0 135.4 -85.9 87.5 55.2 12.9 34.0 51 66 A L - 0 0 66 -2,-1.5 2,-0.6 -4,-0.0 -29,-0.1 -0.680 63.9 -91.3-122.3 174.6 56.4 15.8 31.9 52 67 A T - 0 0 71 -31,-0.3 -31,-1.8 -2,-0.2 2,-0.3 -0.839 49.7-162.8 -92.5 121.9 59.4 18.1 32.1 53 68 A F E -J 20 0C 14 -2,-0.6 21,-1.3 -33,-0.2 2,-0.3 -0.767 15.8-179.3-109.5 152.5 58.6 21.1 34.2 54 69 A R E -JM 19 73C 52 -35,-2.3 -35,-2.7 -2,-0.3 2,-0.4 -0.965 18.8-136.5-142.0 154.6 60.1 24.5 34.7 55 70 A V E -JM 18 72C 1 17,-3.2 17,-2.5 -2,-0.3 2,-0.5 -0.921 9.7-158.8-116.0 140.7 59.1 27.4 36.9 56 71 A V E -JM 17 71C 0 -39,-2.1 -39,-2.0 -2,-0.4 3,-0.3 -0.982 10.7-174.0-121.5 122.4 59.0 31.0 35.9 57 72 A V E +JM 16 70C 3 13,-2.1 13,-1.9 -2,-0.5 -41,-0.1 -0.786 66.7 31.7-111.5 157.1 59.1 33.8 38.5 58 73 A G S S+ 0 0 8 -43,-0.5 2,-0.3 50,-0.5 10,-0.2 0.745 85.9 149.7 70.3 23.6 58.7 37.5 38.0 59 74 A E + 0 0 19 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.643 18.1 152.0 -92.8 146.4 56.3 36.8 35.1 60 75 A H S S+ 0 0 10 1,-0.4 85,-1.7 -2,-0.3 2,-0.6 0.516 71.6 36.7-134.1 -52.1 53.5 39.1 34.1 61 76 A N B > -O 144 0D 11 3,-0.3 3,-1.0 83,-0.2 -1,-0.4 -0.956 65.7-158.7-112.0 117.0 52.8 38.6 30.4 62 77 A L T 3 S+ 0 0 35 81,-2.7 -1,-0.1 -2,-0.6 82,-0.1 0.801 87.5 50.0 -63.7 -33.5 53.3 35.0 29.2 63 78 A N T 3 S+ 0 0 114 80,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.317 110.2 43.5 -93.4 8.0 53.8 35.9 25.6 64 79 A Q S < S- 0 0 118 -3,-1.0 -3,-0.3 79,-0.2 -4,-0.2 -0.992 84.6 -97.4-156.4 147.5 56.5 38.6 25.8 65 80 A N + 0 0 125 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.405 28.9 179.0 -62.5 124.2 59.7 39.5 27.6 66 81 A N - 0 0 33 -2,-0.2 -1,-0.2 -5,-0.1 -4,-0.0 0.467 44.1-122.3-102.5 -7.7 59.0 41.8 30.6 67 82 A G S S+ 0 0 57 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.744 97.0 78.7 72.3 25.2 62.7 41.9 31.5 68 83 A T + 0 0 27 -10,-0.2 2,-0.1 -11,-0.1 40,-0.1 0.339 62.3 117.7-140.9 0.1 62.1 40.6 35.0 69 84 A E - 0 0 25 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.405 41.1-164.1 -79.0 149.9 61.6 36.8 34.5 70 85 A Q E -M 57 0C 42 -13,-1.9 -13,-2.1 -2,-0.1 2,-0.5 -0.998 9.0-153.8-131.8 126.3 63.8 34.1 36.0 71 86 A Y E +M 56 0C 110 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.903 19.8 171.1-106.4 124.3 63.5 30.6 34.5 72 87 A V E -M 55 0C 7 -17,-2.5 -17,-3.2 -2,-0.5 2,-0.1 -0.992 26.3-125.9-136.1 140.9 64.4 27.6 36.8 73 88 A G E -M 54 0C 32 -2,-0.4 27,-2.8 -19,-0.2 2,-0.6 -0.357 26.0-112.3 -80.6 163.3 64.1 23.9 36.4 74 89 A V E -N 99 0C 31 -21,-1.3 25,-0.2 25,-0.2 -21,-0.2 -0.870 29.4-179.5 -99.2 119.6 62.4 21.6 38.8 75 90 A Q E + 0 0 122 23,-2.5 2,-0.3 -2,-0.6 24,-0.2 0.869 66.5 8.7 -86.0 -42.4 64.8 19.2 40.6 76 91 A K E -N 98 0C 50 22,-1.6 22,-2.7 2,-0.0 2,-0.5 -0.999 58.3-151.0-145.1 145.1 62.4 17.2 42.8 77 92 A I E -N 97 0C 68 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.971 9.0-171.1-118.4 122.8 58.6 16.9 43.2 78 93 A V E -N 96 0C 29 18,-3.1 18,-2.7 -2,-0.5 2,-0.2 -0.909 8.1-172.0-116.7 102.4 57.1 15.9 46.5 79 94 A V E -N 95 0C 46 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.628 40.2 -89.8 -90.1 150.3 53.4 15.2 46.3 80 95 A H > - 0 0 21 14,-1.9 3,-2.1 12,-0.3 -1,-0.1 -0.410 35.4-127.2 -60.7 132.1 51.4 14.7 49.5 81 96 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.709 107.2 50.7 -52.4 -25.9 51.5 10.9 50.4 82 97 A Y T 3 S+ 0 0 161 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.466 79.0 125.6 -94.9 -1.9 47.7 10.7 50.6 83 98 A W < - 0 0 32 -3,-2.1 2,-0.5 9,-0.2 9,-0.1 -0.349 39.6-168.4 -60.9 131.6 47.0 12.4 47.3 84 99 A N > - 0 0 75 7,-0.5 3,-2.4 3,-0.3 6,-0.2 -0.941 14.8-155.4-127.6 108.5 44.8 10.2 45.0 85 100 A T T 3 S+ 0 0 77 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.755 94.7 53.5 -51.3 -31.6 44.5 11.3 41.4 86 101 A D T 3 S+ 0 0 152 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.441 111.4 45.7 -87.2 0.8 41.1 9.6 41.0 87 102 A D X + 0 0 76 -3,-2.4 3,-2.1 4,-0.1 4,-0.3 -0.498 53.6 160.1-142.6 69.3 39.5 11.4 44.0 88 103 A V G > S+ 0 0 48 -3,-0.4 3,-1.6 1,-0.3 5,-0.2 0.817 78.6 65.3 -60.5 -27.6 40.3 15.1 44.0 89 104 A A G 3 S+ 0 0 27 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.603 87.3 70.1 -70.4 -10.6 37.3 15.5 46.4 90 105 A A G < S- 0 0 22 -3,-2.1 -1,-0.3 1,-0.3 2,-0.2 0.671 100.7-141.7 -78.9 -17.0 39.3 13.5 48.9 91 106 A G < + 0 0 3 -3,-1.6 -7,-0.5 -4,-0.3 -1,-0.3 -0.543 66.3 118.3 92.1-159.3 41.6 16.4 49.3 92 107 A Y + 0 0 72 1,-0.2 2,-2.0 -2,-0.2 -12,-0.3 0.722 37.4 156.1 64.5 24.2 45.4 16.4 49.8 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.522 32.1 107.4 -83.1 76.2 45.8 18.3 46.5 94 109 A I + 0 0 0 -2,-2.0 -14,-1.9 -51,-0.3 2,-0.3 -0.992 39.2 177.3-154.0 143.5 49.1 19.8 47.3 95 110 A A E -LN 42 79C 0 -53,-2.5 -53,-2.5 -2,-0.3 2,-0.4 -0.987 18.6-140.9-146.6 153.3 52.7 19.3 46.2 96 111 A L E -LN 41 78C 0 -18,-2.7 -18,-3.1 -2,-0.3 2,-0.5 -0.958 12.8-157.7-119.1 134.9 56.1 20.9 46.8 97 112 A L E -LN 40 77C 0 -57,-2.9 -57,-2.0 -2,-0.4 2,-0.6 -0.952 6.9-149.3-116.3 122.4 58.7 21.5 44.1 98 113 A R E -LN 39 76C 51 -22,-2.7 -23,-2.5 -2,-0.5 -22,-1.6 -0.799 24.0-134.8 -89.1 125.3 62.4 21.8 44.9 99 114 A L E - 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