==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAR-05 2BLO . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.H.NANAO,R.B.RAVELLI . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10518.0 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 . 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 . 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 . 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 . 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 0.000 360.0 360.0 360.0 120.1 11.3 33.2 38.5 2 17 A V B 3 +A 182 0A 10 180,-2.2 180,-1.9 1,-0.2 134,-0.2 -0.776 360.0 13.0 -88.9 135.6 14.8 33.9 39.8 3 18 A G T 3 S+ 0 0 42 132,-0.6 146,-0.2 -2,-0.4 -1,-0.2 0.773 98.2 142.7 70.5 29.0 16.1 37.4 39.0 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.264 43.9-137.1 -89.8 177.0 12.6 38.7 38.0 5 20 A T E -B 147 0B 83 142,-2.4 142,-2.6 -2,-0.1 2,-0.3 -0.926 38.5 -88.8-126.7 158.2 10.8 41.9 38.5 6 21 A E E -B 146 0B 113 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.516 45.8-129.3 -70.4 127.1 7.2 42.4 39.5 7 22 A A - 0 0 2 138,-2.8 138,-0.1 -2,-0.3 2,-0.1 -0.486 22.6-106.2 -69.9 145.8 5.0 42.4 36.4 8 23 A Q > - 0 0 128 -2,-0.2 3,-1.6 1,-0.1 4,-0.5 -0.428 37.4-113.8 -61.9 145.7 2.5 45.2 35.9 9 24 A R T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.693 111.6 39.0 -62.3 -19.0 -0.9 43.7 36.6 10 25 A N T 3 S+ 0 0 66 1,-0.1 -1,-0.3 99,-0.0 -2,-0.1 0.279 91.2 90.6-115.1 14.8 -2.2 44.0 33.1 11 26 A S S < S+ 0 0 51 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.868 98.0 26.0 -72.2 -41.0 0.9 43.1 31.2 12 27 A W > + 0 0 25 -4,-0.5 3,-2.0 1,-0.1 -1,-0.2 -0.552 67.5 163.7-126.9 63.2 0.3 39.3 30.9 13 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.6 0, 0.0 45,-0.3 0.569 72.2 61.8 -68.9 -9.4 -3.5 38.8 31.1 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.7 97,-0.1 2,-0.2 0.560 78.9 107.2 -88.2 -9.4 -3.3 35.3 29.7 15 30 A Q E < -I 33 0C 6 -3,-2.0 43,-0.4 18,-0.2 44,-0.4 -0.514 50.0-174.5 -68.9 135.6 -1.2 34.0 32.7 16 31 A I E -I 32 0C 0 16,-2.4 16,-1.0 -2,-0.2 2,-0.5 -0.853 24.3-127.2-124.6 161.0 -3.1 31.8 35.1 17 32 A S E -IJ 31 56C 0 39,-2.2 39,-2.3 -2,-0.3 2,-0.6 -0.958 18.7-153.0-105.0 122.4 -2.3 30.2 38.5 18 33 A L E -IJ 30 55C 0 12,-3.1 11,-3.0 -2,-0.5 12,-1.8 -0.895 24.3-179.9 -96.5 121.8 -2.9 26.5 38.6 19 34 A Q E -IJ 28 54C 8 35,-2.9 35,-2.3 -2,-0.6 2,-0.3 -0.863 19.3-146.6-126.1 153.8 -3.7 25.5 42.1 20 35 A Y E -IJ 27 53C 60 7,-2.4 7,-2.6 -2,-0.3 2,-0.3 -0.908 29.3-104.1-121.5 153.6 -4.5 22.3 44.0 21 36 A R E +I 26 0C 112 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.556 38.5 175.7 -76.5 130.9 -6.7 21.8 47.0 22 36AA S E > -I 25 0C 39 3,-3.1 3,-2.1 -2,-0.3 2,-0.2 -0.903 59.5 -51.4-141.4 106.8 -4.8 21.2 50.2 23 36BA G T 3 S- 0 0 73 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.446 119.6 -22.2 64.2-128.8 -6.8 21.0 53.3 24 36CA S T 3 S+ 0 0 120 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.274 133.0 59.0 -95.9 9.9 -9.2 23.9 53.6 25 37 A S E < S-I 22 0C 61 -3,-2.1 -3,-3.1 -5,-0.0 2,-0.4 -0.593 77.2-116.3-128.1-172.9 -7.0 25.9 51.3 26 38 A W E -I 21 0C 65 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.973 20.3-155.9-128.9 140.9 -5.5 26.1 47.8 27 39 A A E -I 20 0C 26 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.2 -0.977 19.9-122.1-123.7 130.2 -1.8 26.0 46.9 28 40 A H E +I 19 0C 19 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.502 38.2 161.1 -63.1 131.5 -0.3 27.4 43.7 29 41 A T E - 0 0 22 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.587 56.0 -2.4-121.3 -32.4 1.6 24.6 41.8 30 42 A a E -I 18 0C 5 -12,-1.8 -12,-3.1 157,-0.1 -1,-0.4 -0.982 59.9-113.1-153.4 165.3 2.1 25.8 38.3 31 43 A G E +I 17 0C 0 157,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.393 30.1 177.8 -89.0 179.6 1.4 28.4 35.7 32 44 A G E -I 16 0C 0 -16,-1.0 -16,-2.4 -2,-0.1 2,-0.4 -0.948 26.1-117.2-168.4 173.3 -0.7 28.2 32.6 33 45 A T E -IK 15 41C 0 8,-2.5 8,-3.0 -2,-0.3 2,-0.5 -0.992 22.8-130.1-124.4 125.5 -1.9 30.2 29.6 34 46 A L E + K 0 40C 0 -20,-2.7 78,-3.2 -2,-0.4 6,-0.2 -0.634 34.5 166.6 -69.6 119.2 -5.6 30.9 29.0 35 47 A I E + 0 0 2 4,-2.7 2,-0.3 -2,-0.5 5,-0.2 0.616 66.8 12.0-115.1 -18.8 -6.1 30.0 25.3 36 48 A R E > S- K 0 39C 90 3,-1.8 3,-1.6 74,-0.1 -1,-0.4 -0.921 89.7 -98.6-141.1 169.0 -10.0 29.9 25.1 37 49 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.791 128.2 28.5 -62.5 -21.2 -12.5 31.3 27.7 38 50 A N T 3 S+ 0 0 48 64,-0.2 61,-2.6 62,-0.1 2,-0.4 0.097 112.5 76.1-122.8 19.5 -12.8 27.7 28.9 39 51 A W E < -KL 36 98C 6 -3,-1.6 -4,-2.7 59,-0.2 -3,-1.8 -0.991 51.1-169.8-137.3 135.7 -9.4 26.2 28.1 40 52 A V E -KL 34 97C 0 57,-2.3 57,-2.8 -2,-0.4 2,-0.5 -0.954 14.0-145.4-119.3 136.3 -5.9 26.5 29.7 41 53 A M E +KL 33 96C 0 -8,-3.0 -8,-2.5 -2,-0.4 2,-0.2 -0.886 36.5 146.3 -96.9 128.8 -2.6 25.3 28.2 42 54 A T E - L 0 95C 0 53,-2.7 53,-2.2 -2,-0.5 2,-0.4 -0.722 50.6 -70.3-145.0-172.6 -0.1 24.1 30.8 43 55 A A > - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.4 -0.748 32.7-133.2 -87.2 140.8 2.6 21.5 31.2 44 56 A A G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.2 -1,-0.1 0.879 106.0 60.1 -55.2 -39.3 1.7 17.8 31.4 45 57 A H G > S+ 0 0 54 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.785 92.6 66.8 -68.7 -20.5 3.9 17.3 34.4 46 58 A a G < S+ 0 0 4 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.737 106.8 40.8 -63.7 -25.6 1.9 19.9 36.3 47 59 A V G < S+ 0 0 15 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.117 79.6 107.0-115.0 22.3 -1.1 17.5 36.3 48 60 A D < + 0 0 58 -3,-1.2 -1,-0.1 -4,-0.1 2,-0.1 0.900 67.4 77.7 -63.3 -42.4 0.8 14.2 36.9 49 61 A R S S- 0 0 129 -4,-0.3 2,-1.6 -3,-0.2 0, 0.0 -0.447 89.8-120.5 -76.8 148.6 -0.6 14.1 40.5 50 62 A E + 0 0 190 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.289 64.2 139.9 -85.1 55.0 -4.2 13.0 41.1 51 63 A L - 0 0 61 -2,-1.6 2,-0.7 -4,-0.1 -29,-0.1 -0.371 62.5-104.0 -98.6 166.1 -5.2 16.3 42.8 52 64 A T - 0 0 89 -31,-0.3 -31,-2.0 -2,-0.1 2,-0.3 -0.868 48.9-164.4 -87.3 119.4 -8.2 18.6 42.7 53 65 A F E -J 20 0C 11 -2,-0.7 21,-1.8 21,-0.2 2,-0.3 -0.797 16.8-179.7-111.3 147.7 -7.2 21.5 40.5 54 65AA R E -JM 19 73C 45 -35,-2.3 -35,-2.9 -2,-0.3 2,-0.4 -0.945 18.8-136.0-133.6 161.5 -8.5 25.0 40.0 55 66 A V E -JM 18 72C 0 17,-3.0 17,-2.6 -2,-0.3 2,-0.5 -0.938 8.9-156.8-113.0 140.5 -7.5 27.9 37.8 56 67 A V E -JM 17 71C 0 -39,-2.3 -39,-2.2 -2,-0.4 3,-0.3 -0.981 11.2-174.5-116.2 118.3 -7.3 31.5 38.8 57 68 A V E S+ M 0 70C 1 13,-2.3 13,-2.2 -2,-0.5 52,-0.1 -0.754 71.3 33.8 -98.7 159.9 -7.4 34.1 36.1 58 69 A G S S+ 0 0 5 50,-0.7 2,-0.4 -43,-0.4 10,-0.3 0.787 86.6 151.1 65.0 25.7 -7.0 37.7 36.9 59 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.779 15.3 150.6 -93.5 133.1 -4.5 36.7 39.6 60 71 A H S S+ 0 0 8 -2,-0.4 85,-1.8 1,-0.3 2,-0.5 0.678 70.5 34.0-119.2 -47.9 -1.6 39.0 40.6 61 72 A N B > -O 144 0D 13 3,-0.4 3,-0.9 83,-0.2 -1,-0.3 -0.961 60.8-158.9-117.2 118.9 -0.8 38.3 44.2 62 73 A L T 3 S+ 0 0 37 81,-2.7 -1,-0.1 -2,-0.5 82,-0.1 0.717 94.8 44.3 -65.4 -22.4 -1.3 34.8 45.4 63 74 A N T 3 S+ 0 0 101 80,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.341 111.2 48.9-109.1 2.3 -1.5 36.0 49.0 64 75 A Q S < S- 0 0 123 -3,-0.9 2,-0.6 79,-0.2 -3,-0.4 -0.979 86.0 -97.0-144.9 153.1 -3.9 39.1 48.7 65 76 A N - 0 0 137 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.579 31.9-177.4 -69.8 115.8 -7.2 40.0 47.2 66 77 A D - 0 0 27 -2,-0.6 -1,-0.2 -5,-0.2 -4,-0.0 0.631 34.9-130.5 -85.0 -20.8 -6.5 41.7 43.9 67 78 A G S S+ 0 0 62 -3,-0.1 -2,-0.1 1,-0.0 -8,-0.1 0.589 93.9 74.2 79.4 9.6 -10.1 42.4 43.2 68 79 A T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 2,-0.1 0.368 64.4 121.4-130.3 -3.3 -9.8 41.0 39.7 69 80 A E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.369 38.2-167.2 -73.8 149.2 -9.6 37.2 40.3 70 81 A Q E -M 57 0C 46 -13,-2.2 -13,-2.3 -2,-0.1 2,-0.5 -0.999 12.3-155.5-127.9 128.5 -12.0 34.6 38.8 71 82 A Y E +M 56 0C 114 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.914 18.5 173.7-107.2 125.9 -11.7 31.2 40.4 72 83 A V E -M 55 0C 6 -17,-2.6 -17,-3.0 -2,-0.5 -2,-0.0 -0.996 27.3-120.2-140.5 136.2 -12.8 28.2 38.2 73 84 A G E -M 54 0C 31 -2,-0.4 27,-2.7 -19,-0.2 2,-0.6 -0.316 26.9-115.8 -69.2 152.4 -12.6 24.5 38.6 74 85 A V E +N 99 0C 30 -21,-1.8 25,-0.2 25,-0.2 -21,-0.2 -0.860 32.2 178.7 -86.5 120.8 -10.9 22.2 36.2 75 86 A Q E + 0 0 109 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.789 64.2 13.3 -96.7 -33.9 -13.5 20.0 34.6 76 87 A K E -N 98 0C 83 22,-1.6 22,-2.7 2,-0.0 2,-0.5 -0.997 59.1-155.4-150.0 139.3 -11.4 17.9 32.2 77 88 A I E -N 97 0C 68 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.978 7.2-173.9-117.8 124.4 -7.7 17.3 31.7 78 89 A V E -N 96 0C 29 18,-3.2 18,-2.8 -2,-0.5 2,-0.3 -0.931 9.7-168.8-121.1 104.8 -6.2 16.2 28.4 79 90 A V E -N 95 0C 48 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.640 39.2 -91.6 -89.5 146.1 -2.5 15.4 28.6 80 91 A H > - 0 0 16 14,-2.2 3,-1.7 12,-0.3 -1,-0.1 -0.385 37.0-130.8 -55.4 131.6 -0.5 14.9 25.4 81 92 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.693 103.8 53.3 -68.7 -12.9 -0.7 11.1 24.7 82 93 A Y T 3 S+ 0 0 157 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.485 80.7 121.3 -96.8 -1.0 3.0 10.7 24.3 83 94 A W < - 0 0 33 -3,-1.7 2,-0.4 9,-0.2 9,-0.1 -0.330 38.9-174.2 -60.0 138.1 3.9 12.4 27.6 84 95 A N > - 0 0 78 7,-0.5 3,-2.3 3,-0.3 6,-0.2 -0.940 17.5-151.1-135.1 115.0 5.9 10.2 30.0 85 96 A T T 3 S+ 0 0 68 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.738 96.6 52.6 -58.5 -26.1 6.5 11.7 33.5 86 97 A D T 3 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.307 110.5 50.2 -95.0 14.0 9.8 9.8 34.0 87 98 A D X + 0 0 74 -3,-2.3 3,-1.7 4,-0.1 4,-0.4 -0.441 55.9 154.6-145.0 62.1 11.2 11.1 30.6 88 99 A V G > S+ 0 0 47 -3,-0.4 3,-1.6 1,-0.3 5,-0.2 0.837 72.7 66.7 -61.0 -31.2 10.7 14.9 30.5 89 99AA A G 3 S+ 0 0 21 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.704 88.1 66.8 -62.9 -19.7 13.6 15.1 28.1 90 99BA A G < S- 0 0 35 -3,-1.7 2,-0.3 1,-0.3 -1,-0.3 0.739 102.0-140.2 -72.7 -21.1 11.6 13.2 25.5 91 100 A G < + 0 0 4 -3,-1.6 -7,-0.5 -4,-0.4 -1,-0.3 -0.691 65.9 121.9 96.9-156.8 9.2 16.2 25.3 92 101 A Y + 0 0 81 -2,-0.3 2,-2.1 1,-0.2 -12,-0.3 0.710 35.2 156.4 64.3 23.7 5.5 16.3 25.0 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.3 -0.493 34.4 105.8 -81.6 76.4 5.3 18.3 28.2 94 103 A I + 0 0 0 -2,-2.1 -14,-2.2 -51,-0.3 2,-0.3 -0.991 38.3 172.7-154.3 145.1 1.9 19.9 27.5 95 104 A A E -LN 42 79C 0 -53,-2.2 -53,-2.7 -2,-0.3 2,-0.4 -0.982 21.3-137.5-151.7 151.8 -1.7 19.5 28.6 96 105 A L E -LN 41 78C 0 -18,-2.8 -18,-3.2 -2,-0.3 2,-0.5 -0.945 13.0-157.5-114.4 138.5 -5.0 21.2 28.1 97 106 A L E -LN 40 77C 0 -57,-2.8 -57,-2.3 -2,-0.4 2,-0.5 -0.965 6.6-149.5-114.6 120.4 -7.5 21.9 30.9 98 107 A R E -LN 39 76C 49 -22,-2.7 -23,-2.7 -2,-0.5 -22,-1.6 -0.802 22.9-136.0 -88.0 128.0 -11.1 22.5 30.1 99 108 A L E - 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