==== 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 2BDC . COMPND 2 MOLECULE: ELASTASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR B.LIU,C.J.SCHOFIELD,R.C.WILMOUTH . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10480.0 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 . 83 34.6 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 . 30 12.5 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 . 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 0.000 360.0 360.0 360.0 122.8 -11.3 33.4 35.7 2 17 A V B 3 +A 182 0A 10 180,-2.4 180,-1.9 1,-0.2 134,-0.1 -0.767 360.0 11.1 -90.7 138.4 -14.8 34.1 34.5 3 18 A G T 3 S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 178,-0.1 0.775 97.7 141.5 68.6 29.0 -16.1 37.6 35.3 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.292 44.9-135.9 -93.9 178.0 -12.7 38.9 36.3 5 20 A T E -B 147 0B 86 142,-2.4 142,-2.4 -2,-0.1 2,-0.3 -0.920 39.7 -85.5-126.2 158.3 -10.9 42.2 35.8 6 21 A E E -B 146 0B 113 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.492 46.0-128.6 -67.4 126.7 -7.3 42.6 34.7 7 22 A A - 0 0 2 138,-2.6 2,-0.2 -2,-0.3 138,-0.1 -0.436 23.8-107.9 -68.2 143.4 -5.0 42.5 37.8 8 23 A Q > - 0 0 71 -2,-0.1 3,-1.6 1,-0.1 4,-0.5 -0.526 36.7-108.7 -64.9 144.5 -2.5 45.3 38.2 9 24 A R T 3 S+ 0 0 102 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.713 114.0 35.3 -45.4 -35.4 1.1 44.0 37.5 10 25 A N T 3 S+ 0 0 88 1,-0.1 -1,-0.3 2,-0.0 99,-0.0 0.233 89.6 94.8-114.4 16.0 2.2 44.2 41.2 11 26 A S S < S+ 0 0 54 -3,-1.6 -2,-0.1 1,-0.2 -1,-0.1 0.900 97.6 22.9 -70.8 -41.5 -1.0 43.2 43.0 12 27 A W > + 0 0 23 -4,-0.5 3,-1.9 -3,-0.1 -1,-0.2 -0.599 65.7 165.2-131.8 66.6 -0.3 39.5 43.4 13 28 A P T 3 S+ 0 0 29 0, 0.0 97,-1.4 0, 0.0 45,-0.3 0.587 74.1 62.7 -68.7 -10.0 3.5 38.9 43.1 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.7 97,-0.1 2,-0.2 0.606 77.9 106.6 -87.4 -12.1 3.2 35.3 44.6 15 30 A Q E < -I 33 0C 5 -3,-1.9 43,-0.5 18,-0.2 44,-0.4 -0.482 50.8-175.6 -67.0 129.9 1.1 34.1 41.6 16 31 A I E -I 32 0C 0 16,-2.1 16,-1.0 -2,-0.2 2,-0.5 -0.854 24.4-127.0-121.1 161.8 3.0 31.9 39.2 17 32 A S E -IJ 31 56C 0 39,-2.2 39,-2.6 -2,-0.3 2,-0.6 -0.958 17.9-151.9-106.9 122.2 2.2 30.2 35.9 18 33 A L E +IJ 30 55C 0 12,-3.3 11,-3.0 -2,-0.5 12,-1.8 -0.877 24.9 179.7 -95.1 124.4 2.8 26.5 35.8 19 34 A Q E -IJ 28 54C 10 35,-2.7 35,-2.5 -2,-0.6 2,-0.3 -0.871 19.5-148.3-128.1 151.5 3.6 25.5 32.2 20 35 A Y E -IJ 27 53C 67 7,-2.4 7,-2.8 -2,-0.3 2,-0.3 -0.914 31.1-102.0-121.8 154.1 4.4 22.3 30.3 21 36 A R E +I 26 0C 51 31,-1.9 2,-0.4 -2,-0.3 31,-0.3 -0.574 38.5 178.6 -77.1 132.3 6.6 21.8 27.3 22 36AA S E > -I 25 0C 56 3,-3.3 3,-1.9 -2,-0.3 2,-0.2 -0.928 59.2 -54.7-140.1 100.1 4.5 21.3 24.1 23 36BA G T 3 S- 0 0 76 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 -0.439 121.4 -15.6 64.2-126.3 6.5 20.9 21.0 24 36CA S T 3 S+ 0 0 134 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.458 135.2 45.0 -85.1 -3.3 9.0 23.7 20.5 25 37 A S E < S-I 22 0C 61 -3,-1.9 -3,-3.3 -5,-0.0 2,-0.3 -0.532 79.5-104.5-131.3-165.4 7.1 25.8 23.1 26 38 A W E -I 21 0C 91 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.934 21.3-154.2-130.6 142.6 5.4 25.9 26.5 27 39 A A E -I 20 0C 28 -7,-2.8 -7,-2.4 -2,-0.3 2,-0.2 -0.984 20.8-121.5-122.7 131.7 1.8 26.0 27.4 28 40 A H E +I 19 0C 18 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.486 39.4 159.7 -61.2 133.6 0.2 27.4 30.6 29 41 A T E + 0 0 46 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.631 56.5 1.5-124.4 -28.6 -1.8 24.7 32.4 30 42 A a E -I 18 0C 4 -12,-1.8 -12,-3.3 157,-0.1 -1,-0.4 -0.970 60.2-116.4-156.8 161.7 -2.2 25.8 36.1 31 43 A G E +I 17 0C 0 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.400 29.4 179.8 -94.0 178.5 -1.5 28.5 38.6 32 44 A G E -I 16 0C 0 -16,-1.0 -16,-2.1 -2,-0.1 2,-0.4 -0.952 25.7-118.0-165.6 172.8 0.6 28.2 41.7 33 45 A T E -IK 15 41C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.6 -0.995 22.7-131.3-126.2 126.0 1.8 30.3 44.7 34 46 A L E + K 0 40C 0 -20,-2.7 78,-3.4 -2,-0.4 6,-0.2 -0.662 35.6 164.7 -73.6 120.0 5.5 31.0 45.3 35 47 A I E + 0 0 3 4,-2.7 2,-0.3 -2,-0.6 5,-0.2 0.641 65.1 16.6-115.9 -21.8 6.0 30.1 49.0 36 48 A R E > S- K 0 39C 93 3,-1.9 3,-1.4 74,-0.1 -1,-0.3 -0.917 88.7-101.3-133.4 166.8 9.8 29.9 49.2 37 49 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.812 127.8 26.7 -58.3 -25.4 12.4 31.2 46.8 38 50 A N T 3 S+ 0 0 51 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.077 113.5 76.9-122.9 22.3 12.7 27.6 45.5 39 51 A W E < -KL 36 98C 5 -3,-1.4 -4,-2.7 59,-0.2 -3,-1.9 -0.988 50.8-170.2-138.0 134.6 9.2 26.2 46.3 40 52 A V E -KL 34 97C 0 57,-2.5 57,-3.2 -2,-0.4 2,-0.5 -0.950 14.4-145.4-120.1 136.3 5.8 26.6 44.7 41 53 A M E +KL 33 96C 0 -8,-2.9 -8,-2.5 -2,-0.4 55,-0.2 -0.900 36.2 148.4 -97.7 127.6 2.5 25.4 46.2 42 54 A T E - L 0 95C 0 53,-2.9 53,-2.3 -2,-0.5 2,-0.3 -0.703 49.8 -70.6-141.2-171.1 0.0 24.1 43.5 43 55 A A >> - 0 0 0 -12,-0.4 3,-0.9 51,-0.3 4,-0.5 -0.732 32.7-133.1 -90.1 140.9 -2.8 21.6 43.1 44 56 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 0.877 105.9 60.3 -53.8 -40.2 -1.9 17.9 43.0 45 57 A H G >4 S+ 0 0 54 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.768 92.4 67.0 -66.7 -22.8 -4.2 17.4 40.0 46 58 A a G <4 S+ 0 0 10 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.771 107.4 39.6 -67.8 -23.3 -2.1 19.9 38.0 47 59 A V G << S+ 0 0 15 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.112 79.8 103.0-118.6 25.5 0.8 17.4 38.1 48 60 A D < + 0 0 57 -3,-1.1 -1,-0.1 2,-0.1 -2,-0.1 0.896 68.3 82.4 -64.9 -41.3 -0.8 14.0 37.6 49 61 A R S S- 0 0 52 -4,-0.4 2,-2.2 -3,-0.2 0, 0.0 -0.413 90.0-120.8 -72.2 145.3 0.3 14.0 34.0 50 62 A E + 0 0 194 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.350 65.0 139.7 -80.7 59.2 3.9 12.8 33.2 51 63 A L - 0 0 77 -2,-2.2 2,-0.6 -4,-0.1 -31,-0.0 -0.517 61.7-104.9-104.2 165.1 4.9 16.2 31.6 52 64 A T - 0 0 94 -31,-0.3 -31,-1.9 -2,-0.2 2,-0.3 -0.843 46.9-163.5 -87.3 123.6 7.9 18.4 31.6 53 65 A F E +J 20 0C 12 -2,-0.6 21,-1.7 -33,-0.2 2,-0.3 -0.816 17.7 179.7-116.1 144.6 7.0 21.4 33.8 54 65AA R E -JM 19 73C 46 -35,-2.5 -35,-2.7 -2,-0.3 2,-0.4 -0.956 19.6-136.3-132.2 159.0 8.5 24.9 34.3 55 66 A V E -JM 18 72C 0 17,-3.1 17,-2.4 -2,-0.3 2,-0.5 -0.938 9.7-158.2-112.6 136.5 7.4 27.7 36.6 56 67 A V E -JM 17 71C 0 -39,-2.6 -39,-2.2 -2,-0.4 3,-0.3 -0.966 11.6-174.4-112.5 123.1 7.2 31.4 35.5 57 68 A V E + M 0 70C 1 13,-2.4 13,-2.2 -2,-0.5 52,-0.1 -0.778 69.1 32.1-107.2 160.2 7.4 34.0 38.2 58 69 A G S S+ 0 0 5 50,-0.6 2,-0.3 -43,-0.5 10,-0.3 0.808 86.8 150.7 64.1 28.2 6.9 37.8 37.6 59 70 A E + 0 0 18 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.748 15.7 152.6 -95.7 139.5 4.5 36.8 34.7 60 71 A H + 0 0 8 1,-0.4 85,-1.9 -2,-0.3 2,-0.5 0.584 69.7 33.0-126.6 -52.8 1.6 39.1 33.7 61 72 A N B > -O 144 0D 10 3,-0.3 3,-1.0 83,-0.2 -1,-0.4 -0.953 61.9-159.6-112.7 119.4 0.8 38.6 30.0 62 73 A L T 3 S+ 0 0 39 81,-2.6 -1,-0.1 -2,-0.5 82,-0.1 0.712 91.6 50.1 -68.1 -20.7 1.3 35.0 28.8 63 74 A N T 3 S+ 0 0 103 80,-0.2 2,-0.3 1,-0.0 -1,-0.2 0.251 111.0 40.4-106.7 10.1 1.5 36.2 25.2 64 75 A Q S < S- 0 0 119 -3,-1.0 2,-0.4 79,-0.2 -3,-0.3 -0.997 86.6 -90.5-157.5 157.9 4.0 39.1 25.4 65 76 A N + 0 0 133 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.558 32.0 179.8 -71.9 121.1 7.3 40.1 27.0 66 77 A N - 0 0 27 -2,-0.4 -1,-0.2 -5,-0.1 -4,-0.0 0.602 37.8-128.9 -93.1 -18.1 6.6 41.9 30.3 67 78 A G S S+ 0 0 62 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.607 95.1 75.8 77.3 12.6 10.3 42.5 31.1 68 79 A T + 0 0 25 -10,-0.3 -9,-0.1 40,-0.0 40,-0.1 0.441 63.1 118.4-131.3 -7.3 9.8 41.0 34.5 69 80 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.332 38.0-168.2 -72.6 144.1 9.6 37.2 34.0 70 81 A Q E -M 57 0C 46 -13,-2.2 -13,-2.4 -2,-0.1 2,-0.5 -0.997 11.5-153.0-125.0 136.9 11.9 34.6 35.4 71 82 A Y E +M 56 0C 117 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.924 18.1 173.7-114.3 127.1 11.7 31.0 34.1 72 83 A V E -M 55 0C 7 -17,-2.4 -17,-3.1 -2,-0.5 2,-0.1 -0.997 27.4-122.4-141.2 135.4 12.7 28.0 36.2 73 84 A G E -M 54 0C 32 -2,-0.4 27,-2.8 -19,-0.2 2,-0.6 -0.374 29.0-114.3 -71.1 151.9 12.6 24.3 35.8 74 85 A V E -N 99 0C 31 -21,-1.7 25,-0.2 25,-0.2 -21,-0.2 -0.820 31.8-178.4 -85.7 121.7 10.7 22.1 38.3 75 86 A Q E + 0 0 109 23,-2.8 2,-0.3 -2,-0.6 24,-0.2 0.811 64.2 9.8 -92.1 -36.2 13.3 19.9 40.0 76 87 A K E -N 98 0C 85 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -0.993 59.5-152.2-151.0 140.8 11.1 17.8 42.3 77 88 A I E -N 97 0C 69 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.968 8.5-173.8-119.5 124.0 7.4 17.2 42.7 78 89 A V E -N 96 0C 29 18,-2.9 18,-2.5 -2,-0.5 2,-0.3 -0.915 7.9-169.7-119.0 103.3 5.9 16.2 46.1 79 90 A V E -N 95 0C 42 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.633 40.6 -92.1 -87.0 146.5 2.2 15.4 45.9 80 91 A H > - 0 0 26 14,-2.2 3,-1.8 12,-0.3 -1,-0.1 -0.428 37.5-127.8 -56.1 130.1 0.3 15.0 49.1 81 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.616 105.1 53.7 -58.5 -17.1 0.5 11.2 49.9 82 93 A Y T 3 S+ 0 0 164 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.451 80.2 122.0 -96.9 -2.6 -3.3 10.9 50.3 83 94 A W < - 0 0 29 -3,-1.8 2,-0.4 9,-0.2 9,-0.1 -0.358 40.2-171.6 -62.9 136.4 -4.2 12.4 46.9 84 95 A N > - 0 0 74 7,-0.5 3,-2.1 3,-0.3 6,-0.2 -0.958 17.9-154.5-133.2 114.2 -6.2 10.2 44.6 85 96 A T T 3 S+ 0 0 73 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.759 96.2 58.8 -56.5 -29.0 -6.7 11.4 41.0 86 97 A D T 3 S+ 0 0 158 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.403 112.0 42.8 -76.9 -1.1 -10.0 9.4 40.7 87 98 A D X + 0 0 72 -3,-2.1 3,-1.7 4,-0.1 4,-0.4 -0.465 52.1 159.2-152.5 66.8 -11.4 11.3 43.7 88 99 A V G > S+ 0 0 44 -3,-0.4 3,-1.8 1,-0.3 5,-0.2 0.846 79.7 67.0 -63.8 -29.0 -10.9 15.1 43.8 89 99AA A G 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.692 87.5 67.6 -67.3 -17.6 -13.8 15.3 46.1 90 99BA A G < S- 0 0 35 -3,-1.7 -1,-0.3 1,-0.3 2,-0.2 0.720 101.4-140.2 -71.2 -20.7 -11.8 13.4 48.7 91 100 A G < + 0 0 3 -3,-1.8 -7,-0.5 -4,-0.4 -1,-0.3 -0.629 66.8 118.5 94.8-157.2 -9.5 16.5 49.1 92 101 A Y + 0 0 73 -2,-0.2 2,-2.1 1,-0.2 -12,-0.3 0.679 37.3 154.5 65.3 20.7 -5.7 16.4 49.4 93 102 A D + 0 0 0 -5,-0.2 2,-0.3 -50,-0.1 131,-0.3 -0.528 33.1 106.0 -82.8 77.7 -5.4 18.4 46.2 94 103 A I + 0 0 0 -2,-2.1 -14,-2.2 -51,-0.3 2,-0.3 -0.989 39.5 175.6-157.0 144.0 -2.1 20.0 46.9 95 104 A A E -LN 42 79C 0 -53,-2.3 -53,-2.9 -2,-0.3 2,-0.4 -0.980 19.9-139.3-151.8 149.9 1.5 19.5 45.8 96 105 A L E -LN 41 78C 0 -18,-2.5 -18,-2.9 -2,-0.3 2,-0.5 -0.967 13.0-157.4-115.5 134.2 4.8 21.3 46.3 97 106 A L E -LN 40 77C 0 -57,-3.2 -57,-2.5 -2,-0.4 2,-0.5 -0.947 6.9-149.1-111.9 123.1 7.3 21.9 43.6 98 107 A R E -LN 39 76C 53 -22,-2.6 -23,-2.8 -2,-0.5 -22,-1.5 -0.827 23.1-135.2 -87.1 127.5 11.0 22.4 44.3 99 108 A L E - 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