==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-OCT-05 2BDB . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR B.LIU,C.J.SCHOFIELD,R.C.WILMOUTH . 242 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 64.0 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 . 83 34.3 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 . 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 . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.1 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 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 -11.3 33.4 35.6 2 17 A V B 3 +A 182 0A 10 180,-2.3 180,-1.9 1,-0.2 134,-0.1 -0.786 360.0 13.5 -92.6 136.8 -14.8 34.1 34.4 3 18 A G T 3 S+ 0 0 42 132,-0.6 146,-0.3 -2,-0.4 -1,-0.2 0.785 98.0 141.3 70.9 26.3 -16.1 37.6 35.2 4 19 A G < - 0 0 22 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.238 44.9-136.6 -89.0 178.6 -12.7 38.9 36.1 5 20 A T E -B 147 0B 86 142,-2.3 142,-2.6 -2,-0.1 2,-0.3 -0.931 40.2 -86.0-128.2 157.8 -10.8 42.2 35.6 6 21 A E E -B 146 0B 114 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.522 45.7-130.3 -67.9 125.1 -7.2 42.5 34.5 7 22 A A - 0 0 2 138,-2.4 2,-0.2 -2,-0.3 138,-0.1 -0.443 24.9-106.6 -64.7 144.9 -4.9 42.5 37.6 8 23 A Q > - 0 0 76 -2,-0.1 3,-1.7 1,-0.1 4,-0.5 -0.531 35.8-108.8 -66.9 148.8 -2.3 45.2 37.9 9 24 A R T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.693 114.5 36.2 -50.4 -31.9 1.2 43.9 37.2 10 25 A N T 3 S+ 0 0 93 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.234 90.5 92.9-113.1 14.6 2.4 44.1 40.9 11 26 A S S < S+ 0 0 56 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.889 96.5 24.5 -74.5 -40.8 -0.8 43.2 42.8 12 27 A W > + 0 0 29 -4,-0.5 3,-2.1 1,-0.1 -1,-0.2 -0.621 66.4 165.0-130.8 64.5 -0.3 39.4 43.2 13 28 A P T 3 S+ 0 0 30 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.586 72.3 62.8 -70.1 -9.8 3.5 38.8 43.0 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.8 97,-0.1 2,-0.2 0.569 78.7 108.9 -85.4 -8.7 3.3 35.2 44.4 15 30 A Q E < -I 33 0C 5 -3,-2.1 43,-0.5 18,-0.2 44,-0.4 -0.498 49.4-174.5 -70.2 132.2 1.2 34.1 41.5 16 31 A I E -I 32 0C 0 16,-2.1 16,-0.9 -2,-0.2 2,-0.5 -0.849 24.4-128.7-120.6 160.1 3.0 31.7 39.1 17 32 A S E -IJ 31 56C 0 39,-2.2 39,-2.4 -2,-0.3 2,-0.6 -0.963 17.9-154.2-103.5 121.8 2.2 30.1 35.7 18 33 A L E +IJ 30 55C 0 12,-3.2 11,-2.8 -2,-0.5 12,-1.8 -0.885 24.6 179.8 -95.6 123.1 2.8 26.3 35.7 19 34 A Q E -IJ 28 54C 10 35,-2.8 35,-2.5 -2,-0.6 2,-0.3 -0.856 19.3-146.2-126.2 156.0 3.5 25.3 32.1 20 35 A Y E -IJ 27 53C 61 7,-2.4 7,-2.7 -2,-0.3 2,-0.3 -0.922 27.7-106.0-124.0 153.4 4.2 22.1 30.2 21 36 A R E +I 26 0C 48 31,-2.1 2,-0.4 -2,-0.3 31,-0.3 -0.577 34.6 179.1 -79.3 133.2 6.4 21.5 27.2 22 36AA S E > -I 25 0C 61 3,-3.2 3,-2.2 -2,-0.3 2,-0.2 -0.934 60.3 -56.9-138.8 106.0 4.5 20.9 24.0 23 36BA G T 3 S- 0 0 79 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.404 120.4 -16.5 58.5-119.8 6.7 20.4 21.0 24 36CA S T 3 S+ 0 0 129 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.408 132.6 54.0 -93.0 -2.5 8.9 23.4 20.6 25 37 A S E < S-I 22 0C 69 -3,-2.2 -3,-3.2 -5,-0.0 2,-0.3 -0.593 76.8-113.7-126.4-172.8 6.8 25.6 22.8 26 38 A W E -I 21 0C 95 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.926 20.2-156.0-126.1 144.5 5.3 25.8 26.3 27 39 A A E -I 20 0C 28 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.3 -0.987 20.2-122.2-125.8 131.5 1.6 25.8 27.3 28 40 A H E +I 19 0C 13 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.556 38.7 160.4 -64.9 132.4 0.1 27.3 30.4 29 41 A T E - 0 0 11 -11,-2.8 214,-2.5 1,-0.4 2,-0.3 0.639 57.1 -3.4-121.2 -31.1 -1.9 24.6 32.3 30 42 A a E -I 18 0C 0 -12,-1.8 -12,-3.2 212,-0.1 -1,-0.4 -0.964 59.5-117.3-154.1 166.3 -2.3 25.8 36.0 31 43 A G E +I 17 0C 0 157,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.416 28.8 179.0 -96.0-177.7 -1.5 28.4 38.4 32 44 A G E -I 16 0C 0 -16,-0.9 -16,-2.1 -2,-0.2 2,-0.4 -0.938 26.7-113.7-167.7 175.9 0.5 28.1 41.7 33 45 A T E -IK 15 41C 0 8,-2.6 8,-3.1 -2,-0.3 2,-0.5 -0.993 23.3-129.6-126.0 126.4 1.8 30.2 44.6 34 46 A L E + K 0 40C 1 -20,-2.8 78,-3.4 -2,-0.4 6,-0.2 -0.646 35.2 166.7 -72.1 119.9 5.5 30.9 45.1 35 47 A I E + 0 0 2 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.634 65.5 12.6-113.1 -22.6 6.0 30.0 48.8 36 48 A R E > S- K 0 39C 94 3,-1.8 3,-1.4 74,-0.1 -1,-0.4 -0.913 89.5 -98.4-138.9 167.0 9.8 29.8 49.1 37 49 A Q T 3 S+ 0 0 87 -2,-0.3 66,-2.3 1,-0.3 64,-0.1 0.809 127.9 28.2 -59.3 -22.3 12.4 31.0 46.6 38 50 A N T 3 S+ 0 0 51 64,-0.2 61,-2.6 1,-0.1 2,-0.4 0.121 112.1 75.1-125.1 21.9 12.6 27.4 45.4 39 51 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.5 59,-0.2 -3,-1.8 -0.990 51.3-169.0-137.7 137.3 9.2 26.0 46.2 40 52 A V E -KL 34 97C 0 57,-2.3 57,-3.1 -2,-0.4 2,-0.5 -0.947 13.8-145.3-119.8 136.9 5.8 26.4 44.5 41 53 A M E +KL 33 96C 0 -8,-3.1 -8,-2.6 -2,-0.4 2,-0.2 -0.901 36.9 145.4 -99.5 129.4 2.4 25.3 46.0 42 54 A T E - L 0 95C 0 53,-2.7 53,-2.3 -2,-0.5 2,-0.3 -0.734 50.5 -68.9-145.7-171.0 -0.1 24.1 43.4 43 55 A A > - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.5 -0.732 32.0-133.1 -91.3 140.3 -2.9 21.5 43.0 44 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.2 -1,-0.1 0.869 105.9 60.5 -53.6 -40.6 -2.1 17.8 42.9 45 57 A H G > S+ 0 0 34 1,-0.3 3,-0.9 2,-0.2 4,-0.3 0.709 93.2 66.2 -67.6 -15.9 -4.3 17.4 39.8 46 58 A a G < S+ 0 0 7 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.742 107.8 39.0 -74.3 -22.1 -2.2 19.8 37.9 47 59 A V G < S+ 0 0 14 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.074 80.4 104.7-119.0 23.9 0.7 17.4 38.0 48 60 A D < + 0 0 58 -3,-0.9 2,-0.1 2,-0.1 -1,-0.1 0.821 68.0 81.7 -67.7 -34.4 -1.0 14.0 37.5 49 61 A R S S- 0 0 53 -4,-0.3 2,-1.9 -3,-0.2 0, 0.0 -0.458 90.1-119.0 -77.8 149.8 0.2 13.8 33.9 50 62 A E + 0 0 195 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.385 66.6 138.8 -83.1 60.1 3.7 12.6 33.0 51 63 A L - 0 0 75 -2,-1.9 2,-0.6 -4,-0.1 -29,-0.1 -0.504 61.9-107.6-102.9 165.9 4.7 16.0 31.4 52 64 A T - 0 0 93 -31,-0.3 -31,-2.1 -2,-0.2 2,-0.3 -0.889 46.0-165.2 -89.7 123.1 7.8 18.2 31.5 53 65 A F E -J 20 0C 12 -2,-0.6 21,-1.3 -33,-0.2 2,-0.3 -0.806 17.0-178.1-112.3 150.2 6.9 21.3 33.6 54 65AA R E -JM 19 73C 47 -35,-2.5 -35,-2.8 -2,-0.3 2,-0.4 -0.955 19.4-135.7-136.1 159.8 8.4 24.7 34.2 55 66 A V E -JM 18 72C 0 17,-3.0 17,-2.5 -2,-0.3 2,-0.5 -0.941 10.8-158.3-112.8 136.9 7.3 27.5 36.4 56 67 A V E -JM 17 71C 0 -39,-2.4 -39,-2.2 -2,-0.4 3,-0.3 -0.977 10.5-173.2-114.6 122.0 7.2 31.2 35.3 57 68 A V E + M 0 70C 1 13,-2.4 13,-2.1 -2,-0.5 52,-0.1 -0.765 69.3 32.3-105.6 157.8 7.4 33.8 38.0 58 69 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.5 10,-0.3 0.779 86.4 151.8 68.5 25.7 6.9 37.6 37.3 59 70 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.710 15.6 150.8 -92.3 141.0 4.5 36.7 34.5 60 71 A H + 0 0 8 1,-0.3 85,-1.7 -2,-0.3 2,-0.6 0.542 69.6 34.8-129.0 -50.7 1.7 39.0 33.5 61 72 A N B > -O 144 0D 14 3,-0.3 3,-0.9 83,-0.2 -1,-0.3 -0.937 62.5-159.4-112.5 118.1 0.9 38.4 29.8 62 73 A L T 3 S+ 0 0 38 81,-2.8 -1,-0.1 -2,-0.6 82,-0.1 0.747 91.5 47.2 -65.2 -24.3 1.3 34.8 28.6 63 74 A N T 3 S+ 0 0 105 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.340 111.9 43.3-105.1 4.2 1.6 35.9 25.0 64 75 A Q S < S- 0 0 120 -3,-0.9 2,-0.4 79,-0.2 -3,-0.3 -0.992 86.4 -92.4-149.8 159.0 4.1 38.8 25.2 65 76 A N - 0 0 131 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.560 31.0-179.8 -71.0 121.2 7.4 39.8 26.8 66 77 A N - 0 0 26 -2,-0.4 -1,-0.2 -5,-0.1 -4,-0.0 0.533 38.5-127.7 -94.5 -13.9 6.8 41.7 30.1 67 78 A G S S+ 0 0 62 1,-0.1 -2,-0.1 2,-0.0 -8,-0.1 0.599 95.6 75.5 75.6 14.5 10.4 42.2 30.9 68 79 A T + 0 0 26 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.427 63.1 120.0-133.3 -5.4 9.9 40.7 34.3 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.326 38.0-167.2 -73.5 145.4 9.7 36.9 33.8 70 81 A Q E -M 57 0C 45 -13,-2.1 -13,-2.4 -2,-0.1 2,-0.5 -0.998 11.3-154.4-126.2 131.8 12.0 34.3 35.3 71 82 A Y E +M 56 0C 115 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.909 18.4 173.2-110.1 128.3 11.7 30.8 33.9 72 83 A V E -M 55 0C 8 -17,-2.5 -17,-3.0 -2,-0.5 -2,-0.0 -0.996 26.7-123.4-141.2 138.7 12.7 27.8 36.0 73 84 A G E -M 54 0C 31 -2,-0.4 27,-2.8 -19,-0.2 2,-0.6 -0.302 28.8-113.1 -72.9 162.6 12.5 24.0 35.7 74 85 A V E -N 99 0C 32 -21,-1.3 25,-0.2 25,-0.2 -21,-0.2 -0.882 30.5-179.4 -99.5 122.0 10.7 21.7 38.2 75 86 A Q E + 0 0 111 23,-2.8 2,-0.3 -2,-0.6 24,-0.2 0.805 66.2 9.4 -91.9 -36.6 13.2 19.5 40.0 76 87 A K E -N 98 0C 87 22,-1.4 22,-2.8 2,-0.0 2,-0.5 -0.991 58.9-153.0-149.3 141.3 10.9 17.5 42.3 77 88 A I E -N 97 0C 67 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.976 9.8-172.1-119.6 118.3 7.2 17.1 42.6 78 89 A V E -N 96 0C 29 18,-3.0 18,-2.4 -2,-0.5 2,-0.3 -0.914 7.6-170.5-113.8 101.5 5.7 16.1 46.0 79 90 A V E -N 95 0C 44 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.702 39.8 -92.3 -88.4 146.9 2.1 15.3 45.8 80 91 A H > - 0 0 25 14,-2.4 3,-1.9 -2,-0.3 -1,-0.1 -0.347 37.0-130.5 -56.1 129.6 0.0 14.9 49.0 81 92 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.639 104.6 54.7 -62.7 -15.5 0.2 11.1 49.6 82 93 A Y T 3 S+ 0 0 165 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.465 79.6 121.6 -94.6 -2.5 -3.5 10.8 50.1 83 94 A W < - 0 0 30 -3,-1.9 2,-0.4 9,-0.2 9,-0.1 -0.364 40.4-172.0 -59.1 134.5 -4.4 12.4 46.7 84 95 A N > - 0 0 74 7,-0.5 3,-2.2 3,-0.3 6,-0.2 -0.946 17.1-154.9-132.5 112.1 -6.5 10.2 44.4 85 96 A T T 3 S+ 0 0 72 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.740 95.1 60.4 -55.7 -28.3 -7.0 11.5 40.8 86 97 A D T 3 S+ 0 0 155 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.445 110.9 40.7 -75.2 -4.4 -10.2 9.5 40.6 87 98 A D X + 0 0 74 -3,-2.2 3,-1.8 4,-0.1 4,-0.4 -0.519 53.3 162.3-153.1 65.9 -11.8 11.4 43.5 88 99 A V G > S+ 0 0 41 -3,-0.4 3,-1.6 1,-0.3 5,-0.2 0.854 80.5 66.5 -61.3 -30.1 -11.1 15.2 43.6 89 99AA A G 3 S+ 0 0 25 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.673 87.4 66.7 -64.5 -19.8 -14.0 15.4 46.0 90 99BA A G < S- 0 0 35 -3,-1.8 -1,-0.3 1,-0.3 2,-0.2 0.732 101.6-142.2 -71.1 -24.8 -12.0 13.5 48.6 91 100 A G < + 0 0 3 -3,-1.6 -7,-0.5 -4,-0.4 -1,-0.3 -0.628 65.9 121.3 96.8-156.2 -9.6 16.5 48.8 92 101 A Y + 0 0 76 -2,-0.2 2,-2.1 1,-0.2 -12,-0.3 0.700 36.9 154.7 67.1 20.6 -5.8 16.4 49.3 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.3 -0.535 33.5 105.5 -83.4 77.6 -5.6 18.3 46.0 94 103 A I + 0 0 0 -2,-2.1 -14,-2.4 -51,-0.3 2,-0.3 -0.986 39.2 174.1-155.9 144.4 -2.2 19.9 46.8 95 104 A A E -LN 42 79C 0 -53,-2.3 -53,-2.7 -2,-0.3 2,-0.4 -0.980 21.2-138.6-151.9 152.8 1.4 19.5 45.7 96 105 A L E -LN 41 78C 0 -18,-2.4 -18,-3.0 -2,-0.3 2,-0.6 -0.965 13.6-155.8-116.6 135.0 4.7 21.2 46.2 97 106 A L E -LN 40 77C 0 -57,-3.1 -57,-2.3 -2,-0.4 2,-0.5 -0.950 7.1-148.2-111.6 121.1 7.2 21.7 43.4 98 107 A R E -LN 39 76C 54 -22,-2.8 -23,-2.8 -2,-0.6 -22,-1.4 -0.806 24.3-133.3 -85.2 124.9 10.8 22.1 44.2 99 108 A L E - 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