==== 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 2FOC . 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) . 10988.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 65.4 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 . 81 33.8 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 . 24 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.0 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 . 5 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 0 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.2 40.6 33.6 36.4 2 17 A V B 3 +A 182 0A 9 180,-2.9 180,-1.6 1,-0.2 134,-0.1 -0.736 360.0 6.8 -91.8 138.6 37.1 34.5 35.2 3 18 A G T 3 S+ 0 0 45 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.787 98.9 128.2 64.6 30.1 35.9 38.1 35.8 4 19 A G < - 0 0 21 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.397 50.7-126.8-106.0-174.5 39.2 39.4 37.0 5 20 A T E -B 147 0B 89 142,-2.5 142,-2.7 -2,-0.1 2,-0.1 -0.901 35.9 -86.3-130.2 159.3 41.5 42.3 36.1 6 21 A E E -B 146 0B 111 -2,-0.3 140,-0.3 140,-0.2 2,-0.2 -0.434 47.3-132.0 -66.9 138.1 45.1 42.6 35.1 7 22 A A - 0 0 5 138,-2.7 2,-0.1 -2,-0.1 138,-0.1 -0.483 22.7 -94.9 -90.7 161.2 47.4 42.9 38.1 8 23 A Q >> - 0 0 133 -2,-0.2 3,-2.0 1,-0.1 4,-0.5 -0.476 37.6-114.7 -70.8 145.0 50.3 45.3 38.7 9 24 A R T 34 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.762 115.7 33.4 -52.9 -29.4 53.7 44.0 37.8 10 25 A N T 34 S+ 0 0 96 1,-0.1 -1,-0.3 99,-0.0 -2,-0.0 0.135 90.5 97.3-116.2 20.2 54.8 44.1 41.4 11 26 A S T <4 S+ 0 0 47 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.910 95.8 23.7 -74.3 -43.0 51.5 43.3 43.2 12 27 A W >< + 0 0 28 -4,-0.5 3,-1.5 1,-0.1 -1,-0.2 -0.638 65.7 166.9-128.5 76.0 52.1 39.6 43.8 13 28 A P T 3 S+ 0 0 31 0, 0.0 97,-1.1 0, 0.0 45,-0.3 0.600 73.8 62.0 -62.5 -18.4 55.9 38.8 43.7 14 29 A S T 3 S+ 0 0 8 95,-0.2 20,-2.6 97,-0.1 2,-0.3 0.565 78.9 107.6 -88.0 -8.7 55.4 35.3 45.2 15 30 A Q E < -I 33 0C 6 -3,-1.5 43,-0.4 18,-0.2 44,-0.3 -0.512 49.1-175.8 -71.9 130.6 53.4 34.1 42.2 16 31 A I E -I 32 0C 1 16,-1.9 16,-0.8 -2,-0.3 2,-0.5 -0.836 23.8-128.3-124.6 163.9 55.1 31.7 39.8 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-2.5 -2,-0.3 2,-0.6 -0.965 16.5-154.5-113.3 123.9 54.3 30.0 36.5 18 33 A L E +IJ 30 55C 0 12,-3.0 11,-2.4 -2,-0.5 12,-1.7 -0.892 22.3 179.2 -98.9 119.1 54.8 26.2 36.4 19 34 A Q E -IJ 28 54C 8 35,-2.7 35,-2.4 -2,-0.6 2,-0.3 -0.904 18.7-148.5-124.9 149.9 55.4 25.1 32.8 20 35 A Y E -IJ 27 53C 68 7,-2.2 7,-2.5 -2,-0.3 2,-0.6 -0.830 33.2 -99.8-113.4 154.9 56.1 21.8 31.1 21 36 A R E -I 26 0C 124 31,-1.9 2,-0.8 -2,-0.3 31,-0.3 -0.631 33.6-168.6 -78.3 118.4 58.2 21.2 28.0 22 37 A S E > -I 25 0C 51 3,-3.6 3,-2.2 -2,-0.6 2,-1.0 -0.868 61.0 -62.5-108.9 96.0 56.0 20.8 25.0 23 38 A G T 3 S- 0 0 56 -2,-0.8 -2,-0.0 1,-0.3 3,-0.0 -0.511 120.2 -18.3 68.0-101.6 58.2 19.5 22.1 24 39 A S T 3 S+ 0 0 134 -2,-1.0 -1,-0.3 2,-0.0 2,-0.3 0.146 132.4 63.5-122.1 14.6 60.7 22.4 21.7 25 40 A S E < S-I 22 0C 67 -3,-2.2 -3,-3.6 -5,-0.0 2,-0.4 -0.835 78.4-115.0-132.6 170.0 58.6 25.0 23.6 26 41 A W E -I 21 0C 88 -2,-0.3 2,-0.5 -5,-0.3 -5,-0.2 -0.917 22.3-161.3-113.5 136.1 57.2 25.6 27.1 27 42 A A E -I 20 0C 28 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.1 -0.962 20.0-124.1-121.9 128.4 53.6 25.6 28.0 28 43 A H E +I 19 0C 19 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.397 38.3 159.2 -63.4 136.6 52.0 27.1 31.2 29 44 A T E + 0 0 48 -11,-2.4 2,-0.3 1,-0.4 159,-0.2 0.585 57.0 3.3-132.0 -28.8 50.0 24.6 33.1 30 45 A a E -I 18 0C 5 -12,-1.7 -12,-3.0 157,-0.1 -1,-0.4 -0.966 58.5-122.1-155.1 168.3 49.7 25.8 36.7 31 46 A G E +I 17 0C 2 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.393 30.2 171.7-102.5-176.4 50.4 28.5 39.2 32 47 A G E -I 16 0C 0 -16,-0.8 -16,-1.9 -2,-0.1 2,-0.4 -0.968 27.8-107.6-176.9 177.5 52.4 28.2 42.4 33 48 A T E -IK 15 41C 1 8,-2.7 8,-3.1 -2,-0.3 2,-0.7 -0.990 19.9-131.7-131.9 130.6 53.9 30.2 45.3 34 49 A L E + K 0 40C 0 -20,-2.6 78,-2.9 -2,-0.4 6,-0.2 -0.687 34.0 163.8 -78.0 116.3 57.6 30.8 46.0 35 50 A I E + 0 0 3 4,-2.1 2,-0.3 -2,-0.7 5,-0.2 0.588 67.4 17.6-108.3 -17.1 58.0 29.9 49.7 36 51 A R E > S- K 0 39C 97 3,-1.8 3,-1.1 74,-0.1 -1,-0.3 -0.937 87.9-101.4-145.5 161.9 61.8 29.7 49.8 37 52 A Q T 3 S+ 0 0 90 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.768 127.8 23.0 -59.8 -21.8 64.5 30.9 47.4 38 53 A N T 3 S+ 0 0 29 64,-0.2 61,-2.3 62,-0.1 2,-0.4 0.123 112.9 80.1-131.0 21.4 64.6 27.3 46.2 39 54 A W E < -KL 36 98C 6 -3,-1.1 -4,-2.1 59,-0.2 -3,-1.8 -0.996 51.0-169.4-134.6 134.1 61.2 25.9 47.1 40 55 A V E -KL 34 97C 0 57,-2.0 57,-2.6 -2,-0.4 2,-0.5 -0.966 11.1-148.8-122.3 135.6 57.9 26.3 45.4 41 56 A M E +KL 33 96C 0 -8,-3.1 -8,-2.7 -2,-0.4 2,-0.2 -0.879 35.4 140.0-103.4 131.9 54.4 25.3 46.8 42 57 A T E - L 0 95C 0 53,-2.6 53,-2.9 -2,-0.5 2,-0.3 -0.819 52.0 -61.4-152.0-170.4 51.8 24.2 44.2 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.5 51,-0.3 4,-0.5 -0.682 32.8-137.4 -89.6 138.4 49.0 21.6 43.7 44 59 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.904 104.2 57.9 -57.9 -44.8 49.7 17.9 43.6 45 60 A H G 34 S+ 0 0 63 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.591 96.4 66.8 -65.9 -6.6 47.5 17.3 40.6 46 61 A a G <4 S+ 0 0 10 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.738 109.2 34.4 -82.1 -25.5 49.7 19.8 38.7 47 62 A V S << S+ 0 0 10 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 -0.073 83.4 107.1-121.1 32.8 52.7 17.5 38.8 48 63 A D + 0 0 52 -3,-0.4 2,-0.1 2,-0.1 -1,-0.1 0.832 65.8 76.9 -77.8 -34.4 51.0 14.1 38.6 49 64 A R S S- 0 0 190 -4,-0.2 2,-1.8 -3,-0.1 -3,-0.0 -0.470 90.9-117.5 -76.9 149.3 52.2 13.5 35.0 50 65 A E + 0 0 199 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.541 65.7 136.0 -88.1 73.5 55.8 12.6 34.4 51 66 A L - 0 0 67 -2,-1.8 2,-0.6 -4,-0.0 -31,-0.0 -0.554 63.1 -98.1-111.2 176.2 56.7 15.7 32.4 52 67 A T - 0 0 70 -31,-0.3 -31,-1.9 -2,-0.2 2,-0.3 -0.890 46.7-162.9 -99.2 118.6 59.7 18.0 32.4 53 68 A F E -J 20 0C 13 -2,-0.6 21,-1.2 -33,-0.2 2,-0.3 -0.740 15.5-176.4-108.0 152.6 58.9 21.1 34.5 54 69 A R E -JM 19 73C 54 -35,-2.4 -35,-2.7 -2,-0.3 2,-0.4 -0.980 17.7-137.7-140.9 149.7 60.4 24.5 34.8 55 70 A V E -JM 18 72C 0 17,-3.1 17,-2.3 -2,-0.3 2,-0.5 -0.934 10.3-160.4-113.9 133.1 59.5 27.4 37.1 56 71 A V E -JM 17 71C 0 -39,-2.5 -39,-2.1 -2,-0.4 3,-0.3 -0.953 10.7-176.3-115.0 121.2 59.3 31.0 36.0 57 72 A V E + M 0 70C 1 13,-2.1 13,-1.6 -2,-0.5 52,-0.1 -0.736 67.3 33.0-110.2 161.5 59.5 33.8 38.6 58 73 A G S S+ 0 0 5 50,-0.6 2,-0.2 -43,-0.4 10,-0.2 0.712 87.5 152.6 66.5 19.1 59.1 37.5 38.0 59 74 A E + 0 0 19 -44,-0.3 -1,-0.2 -3,-0.3 3,-0.1 -0.569 17.9 150.2 -85.8 142.5 56.7 36.6 35.2 60 75 A H + 0 0 7 1,-0.3 85,-1.6 -2,-0.2 2,-0.6 0.529 69.8 38.1-134.2 -49.9 53.9 38.9 34.1 61 76 A N B -O 144 0D 11 83,-0.2 -1,-0.3 3,-0.2 3,-0.3 -0.936 62.8-160.2-112.9 111.3 53.2 38.3 30.4 62 77 A L S S+ 0 0 39 81,-2.4 -1,-0.1 -2,-0.6 82,-0.1 0.787 91.9 42.0 -58.8 -29.8 53.4 34.7 29.4 63 78 A N S S+ 0 0 110 80,-0.4 -1,-0.2 2,-0.0 2,-0.2 0.716 112.7 49.7 -92.9 -24.7 53.9 35.6 25.7 64 79 A Q S S- 0 0 134 -3,-0.3 2,-0.7 79,-0.2 -4,-0.2 -0.574 85.6-104.7-110.1 175.2 56.2 38.5 25.8 65 80 A N - 0 0 125 -2,-0.2 -3,-0.1 1,-0.1 -6,-0.0 -0.903 27.9-176.8-103.8 114.0 59.6 39.2 27.5 66 81 A N - 0 0 30 -2,-0.7 -1,-0.1 -5,-0.2 -4,-0.0 0.685 37.9-126.0 -82.1 -20.6 59.1 41.5 30.6 67 82 A G S S+ 0 0 61 0, 0.0 -8,-0.1 0, 0.0 -2,-0.1 0.753 94.8 80.8 79.7 24.1 62.8 41.7 31.4 68 83 A T + 0 0 29 -10,-0.2 2,-0.1 -11,-0.1 40,-0.1 0.302 64.0 113.9-139.1 2.3 62.2 40.6 34.9 69 84 A E - 0 0 24 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.434 42.4-165.1 -84.8 154.1 61.9 36.8 34.6 70 85 A Q E -M 57 0C 47 -13,-1.6 -13,-2.1 -2,-0.1 2,-0.5 -0.990 11.0-153.3-136.0 123.6 64.2 34.1 35.9 71 86 A Y E +M 56 0C 107 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.887 20.5 170.2-104.4 125.1 63.8 30.5 34.5 72 87 A V E -M 55 0C 9 -17,-2.3 -17,-3.1 -2,-0.5 2,-0.1 -0.985 27.5-121.0-137.0 144.7 64.9 27.6 36.7 73 88 A G E -M 54 0C 29 -2,-0.3 27,-2.9 -19,-0.2 2,-0.7 -0.306 25.5-114.1 -79.6 165.9 64.5 23.9 36.5 74 89 A V E +N 99 0C 32 -21,-1.2 25,-0.2 25,-0.3 -21,-0.2 -0.901 29.3 179.1-104.4 114.9 62.7 21.6 39.0 75 90 A Q E + 0 0 116 23,-2.0 2,-0.3 -2,-0.7 24,-0.2 0.852 65.9 14.2 -82.6 -38.8 65.1 19.2 40.7 76 91 A K E -N 98 0C 73 22,-1.7 22,-3.0 2,-0.0 2,-0.5 -0.999 57.8-153.5-146.0 140.6 62.8 17.3 43.0 77 92 A I E -N 97 0C 69 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.946 8.9-172.0-115.8 118.3 59.0 16.9 43.4 78 93 A V E -N 96 0C 26 18,-3.4 18,-2.6 -2,-0.5 2,-0.2 -0.871 7.5-171.6-114.4 102.0 57.5 16.1 46.8 79 94 A V E -N 95 0C 44 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.616 39.3 -93.2 -88.2 147.2 53.8 15.2 46.7 80 95 A H > - 0 0 21 14,-1.8 3,-2.0 12,-0.3 -1,-0.1 -0.407 36.2-125.4 -60.0 133.8 51.8 14.8 49.9 81 96 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.709 106.5 51.1 -52.7 -27.2 51.9 11.0 50.7 82 97 A Y T 3 S+ 0 0 162 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.318 78.5 126.2 -96.8 6.3 48.1 10.8 50.9 83 98 A W < - 0 0 32 -3,-2.0 2,-0.5 9,-0.1 9,-0.1 -0.427 39.9-166.1 -67.6 138.5 47.3 12.4 47.6 84 99 A N > - 0 0 76 7,-0.5 3,-2.2 3,-0.3 6,-0.2 -0.945 15.5-153.7-131.2 110.8 45.1 10.4 45.3 85 100 A T T 3 S+ 0 0 86 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.845 96.8 51.7 -47.6 -42.7 44.9 11.4 41.6 86 101 A D T 3 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.494 111.1 47.6 -77.3 -5.1 41.4 9.8 41.3 87 102 A D X + 0 0 76 -3,-2.2 3,-1.9 1,-0.1 -3,-0.3 -0.532 50.4 157.8-139.0 73.0 39.9 11.6 44.4 88 103 A V G > S+ 0 0 46 -3,-0.4 3,-1.4 1,-0.3 5,-0.2 0.798 79.9 64.0 -64.0 -26.4 40.6 15.4 44.4 89 104 A A G 3 S+ 0 0 30 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.572 88.5 69.5 -73.2 -8.6 37.6 15.7 46.7 90 105 A A G < S- 0 0 25 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.631 102.1-139.9 -81.9 -13.9 39.5 13.6 49.2 91 106 A G < + 0 0 4 -3,-1.4 -7,-0.5 -4,-0.3 -1,-0.3 -0.487 67.3 115.7 90.1-161.9 41.9 16.5 49.7 92 107 A Y + 0 0 83 1,-0.2 2,-1.8 79,-0.2 -12,-0.3 0.704 37.8 155.9 66.4 23.0 45.7 16.5 50.2 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.543 31.3 107.3 -83.4 78.0 46.1 18.4 46.9 94 109 A I + 0 0 0 -2,-1.8 -14,-1.8 -51,-0.2 2,-0.3 -0.987 39.0 179.1-155.4 142.2 49.5 20.0 47.6 95 110 A A E -LN 42 79C 0 -53,-2.9 -53,-2.6 -2,-0.3 2,-0.4 -0.991 17.4-142.8-145.4 152.7 53.1 19.5 46.4 96 111 A L E -LN 41 78C 0 -18,-2.6 -18,-3.4 -2,-0.3 2,-0.5 -0.938 13.3-159.1-116.9 138.0 56.5 21.0 47.1 97 112 A L E -LN 40 77C 0 -57,-2.6 -57,-2.0 -2,-0.4 2,-0.6 -0.969 9.0-147.3-121.0 123.8 59.1 21.5 44.3 98 113 A R E -LN 39 76C 59 -22,-3.0 -23,-2.0 -2,-0.5 -22,-1.7 -0.787 24.7-135.7 -87.7 123.8 62.8 21.9 45.0 99 114 A L E - 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