==== 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 2FOE . 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) . 10781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 64.6 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 . 78 32.5 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 . 25 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.8 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 . 3 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 0 0, 0.0 3,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.0 41.0 33.8 36.4 2 17 A V B 3 +A 182 0A 10 180,-2.8 180,-1.7 1,-0.2 134,-0.1 -0.767 360.0 9.4 -93.7 135.8 37.5 34.7 35.2 3 18 A G T 3 S+ 0 0 43 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.801 98.6 131.6 70.2 30.2 36.3 38.2 35.8 4 19 A G < - 0 0 23 -3,-0.6 2,-0.3 144,-0.1 144,-0.2 -0.363 49.2-129.7-104.4-174.3 39.6 39.6 36.9 5 20 A T E -B 147 0B 90 142,-2.4 142,-2.2 -2,-0.1 2,-0.0 -0.948 37.7 -86.8-133.5 153.2 41.8 42.6 36.1 6 21 A E E -B 146 0B 98 -2,-0.3 140,-0.2 140,-0.2 2,-0.2 -0.343 46.5-129.8 -61.1 139.1 45.4 42.9 35.1 7 22 A A - 0 0 1 138,-2.6 2,-0.1 53,-0.1 138,-0.1 -0.580 24.0 -99.3 -90.8 152.9 47.7 43.1 38.2 8 23 A Q > - 0 0 121 -2,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.501 41.7-114.0 -66.2 141.3 50.4 45.7 38.7 9 24 A R T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 52,-0.0 0.458 111.8 38.2 -61.2 -1.4 53.7 44.0 37.7 10 25 A N T 3 S+ 0 0 93 50,-0.0 -1,-0.3 99,-0.0 -2,-0.0 0.169 87.5 96.7-134.0 18.6 55.1 44.2 41.3 11 26 A S S < S+ 0 0 47 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.0 0.888 93.5 27.3 -75.5 -42.8 52.0 43.5 43.3 12 27 A W > + 0 0 33 -4,-0.5 3,-1.6 1,-0.1 -1,-0.2 -0.633 64.8 167.2-126.4 75.1 52.4 39.7 43.9 13 28 A P T 3 S+ 0 0 34 0, 0.0 97,-1.5 0, 0.0 45,-0.3 0.500 73.0 63.1 -64.5 -8.9 56.2 38.9 43.8 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.5 97,-0.1 2,-0.3 0.476 78.4 109.5 -95.4 -3.0 55.8 35.4 45.2 15 30 A Q E < -I 33 0C 5 -3,-1.6 43,-0.5 18,-0.2 44,-0.4 -0.555 48.3-175.2 -76.2 131.7 53.7 34.3 42.2 16 31 A I E -IJ 32 57C 1 16,-2.1 16,-1.0 -2,-0.3 2,-0.5 -0.883 23.2-128.9-126.9 158.8 55.5 31.8 39.9 17 32 A S E -IJ 31 56C 0 39,-2.1 39,-1.8 -2,-0.3 2,-0.6 -0.938 17.3-151.3-108.6 123.3 54.6 30.2 36.6 18 33 A L E +IJ 30 55C 0 12,-2.9 11,-2.5 -2,-0.5 12,-1.6 -0.850 24.2 178.6 -95.6 122.8 55.0 26.4 36.4 19 34 A Q E -IJ 28 54C 13 35,-2.7 35,-2.1 -2,-0.6 2,-0.3 -0.898 18.3-155.5-127.7 153.9 55.8 25.2 32.8 20 35 A Y E -IJ 27 53C 67 7,-2.0 7,-2.4 -2,-0.3 2,-0.5 -0.914 28.0-108.2-125.3 154.1 56.5 21.9 31.0 21 36 A R E -I 26 0C 111 31,-1.7 2,-0.7 -2,-0.3 31,-0.3 -0.685 24.1-166.0 -84.6 127.0 58.4 21.2 27.8 22 37 A S E > -I 25 0C 70 3,-4.5 3,-1.9 -2,-0.5 2,-1.4 -0.867 65.4 -61.7-113.1 93.2 56.3 20.2 24.9 23 38 A G T 3 S- 0 0 60 -2,-0.7 -2,-0.1 1,-0.3 3,-0.0 -0.515 124.3 -11.1 70.6 -94.5 58.7 18.9 22.3 24 39 A S T 3 S+ 0 0 122 -2,-1.4 2,-0.3 2,-0.0 -1,-0.3 0.363 129.0 61.1-118.9 1.3 60.9 21.9 21.7 25 40 A S E < S-I 22 0C 74 -3,-1.9 -3,-4.5 -5,-0.0 2,-0.4 -0.837 73.0-120.7-128.3 165.6 58.8 24.6 23.5 26 41 A W E -I 21 0C 85 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.2 -0.848 21.8-166.6-108.6 144.0 57.5 25.4 26.9 27 42 A A E -I 20 0C 36 -7,-2.4 -7,-2.0 -2,-0.4 2,-0.1 -0.993 24.0-117.7-134.0 133.8 53.9 25.8 27.9 28 43 A H E +I 19 0C 21 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.402 39.2 159.6 -64.9 138.9 52.3 27.3 31.1 29 44 A T E - 0 0 42 -11,-2.5 157,-0.3 1,-0.4 2,-0.3 0.575 57.1 -1.3-132.7 -30.0 50.2 24.7 33.0 30 45 A a E -I 18 0C 4 -12,-1.6 -12,-2.9 157,-0.1 -1,-0.4 -0.958 58.9-116.7-156.4 171.7 49.9 25.9 36.6 31 46 A G E +I 17 0C 1 157,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.498 29.8 176.9-105.2 179.1 50.7 28.6 39.2 32 47 A G E -I 16 0C 0 -16,-1.0 -16,-2.1 -2,-0.2 2,-0.4 -0.971 25.7-113.3-170.3 171.9 52.7 28.3 42.4 33 48 A T E -IK 15 41C 1 8,-2.7 8,-2.9 -2,-0.3 2,-0.6 -0.985 20.4-132.1-126.6 129.5 54.1 30.2 45.3 34 49 A L E + K 0 40C 1 -20,-2.5 78,-3.1 -2,-0.4 6,-0.2 -0.669 34.6 162.6 -76.4 116.8 57.8 30.8 46.1 35 50 A I E + 0 0 5 4,-1.9 2,-0.3 -2,-0.6 5,-0.2 0.554 67.5 17.3-112.0 -14.2 58.3 29.9 49.8 36 51 A R E > S- K 0 39C 98 3,-1.7 3,-1.2 74,-0.1 -1,-0.3 -0.949 87.0-102.9-148.4 159.3 62.1 29.6 49.9 37 52 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.5 1,-0.3 64,-0.1 0.783 127.6 24.9 -58.1 -23.7 64.8 30.7 47.5 38 53 A N T 3 S+ 0 0 38 64,-0.2 61,-2.8 62,-0.1 2,-0.4 0.169 113.3 79.6-126.2 17.6 64.9 27.1 46.3 39 54 A W E < -KL 36 98C 4 -3,-1.2 -4,-1.9 59,-0.2 -3,-1.7 -0.989 50.1-172.1-131.7 138.7 61.4 25.9 47.2 40 55 A V E -KL 34 97C 0 57,-2.0 57,-2.9 -2,-0.4 2,-0.4 -0.986 12.1-148.7-129.3 135.4 58.0 26.2 45.5 41 56 A M E +KL 33 96C 0 -8,-2.9 -8,-2.7 -2,-0.4 2,-0.2 -0.883 34.4 140.9-104.4 133.5 54.6 25.2 46.8 42 57 A T E - L 0 95C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.3 -0.806 52.1 -62.1-151.5-170.1 51.9 24.2 44.2 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.6 -0.682 33.6-136.5 -88.5 140.2 49.1 21.7 43.6 44 59 A A G >4 S+ 0 0 0 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.858 103.9 60.1 -61.6 -35.6 49.8 18.0 43.6 45 60 A H G 34 S+ 0 0 39 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.646 96.2 63.1 -70.7 -10.5 47.6 17.5 40.5 46 61 A a G <4 S+ 0 0 2 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.750 111.7 35.0 -80.7 -26.4 49.8 19.9 38.6 47 62 A V S << S+ 0 0 10 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.085 85.5 106.6-116.0 22.4 52.8 17.6 38.9 48 63 A D + 0 0 41 -3,-0.4 2,-0.1 -4,-0.1 -1,-0.1 0.857 68.3 71.2 -66.3 -39.9 51.0 14.3 38.7 49 64 A R S S- 0 0 131 -4,-0.2 2,-1.3 -3,-0.2 0, 0.0 -0.467 90.3-116.4 -80.5 152.1 52.2 13.6 35.2 50 65 A E + 0 0 196 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.699 64.3 127.3 -94.1 89.8 55.8 12.7 34.4 51 66 A L - 0 0 86 -2,-1.3 2,-0.6 -4,-0.1 -29,-0.1 -0.780 66.9 -86.9-132.1 173.7 57.0 15.6 32.3 52 67 A T - 0 0 64 -31,-0.3 -31,-1.7 -2,-0.2 2,-0.3 -0.780 50.2-167.9 -89.1 123.2 59.9 18.0 32.3 53 68 A F E +J 20 0C 15 -2,-0.6 21,-1.1 -33,-0.2 2,-0.3 -0.765 14.6 179.0-113.5 157.8 59.1 21.1 34.5 54 69 A R E -JM 19 73C 51 -35,-2.1 -35,-2.7 -2,-0.3 2,-0.4 -0.976 19.4-135.1-150.4 152.7 60.6 24.5 35.0 55 70 A V E -JM 18 72C 0 17,-2.8 17,-2.2 -2,-0.3 2,-0.5 -0.891 9.3-159.0-114.3 142.4 59.7 27.5 37.1 56 71 A V E -JM 17 71C 0 -39,-1.8 -39,-2.1 -2,-0.4 3,-0.3 -0.983 11.2-172.8-123.0 120.8 59.7 31.1 36.1 57 72 A V E +JM 16 70C 2 13,-2.1 13,-1.5 -2,-0.5 -41,-0.1 -0.752 66.7 31.7-108.8 158.7 59.8 33.8 38.8 58 73 A G S S+ 0 0 8 -43,-0.5 2,-0.2 50,-0.5 10,-0.2 0.724 86.0 149.7 68.7 22.3 59.5 37.6 38.3 59 74 A E + 0 0 16 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.560 19.0 152.7 -89.4 150.3 57.1 36.9 35.4 60 75 A H S S+ 0 0 7 1,-0.3 85,-1.8 4,-0.2 2,-0.5 0.453 71.5 37.4-138.3 -48.3 54.2 39.2 34.3 61 76 A N B -O 144 0D 28 3,-0.3 3,-0.4 83,-0.2 -1,-0.3 -0.969 65.3-157.1-116.3 117.6 53.6 38.7 30.6 62 77 A L S S+ 0 0 35 81,-2.6 -1,-0.1 -2,-0.5 82,-0.1 0.810 92.2 36.9 -63.5 -33.8 54.0 35.1 29.4 63 78 A N S S+ 0 0 111 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.502 110.5 66.8 -99.4 -5.4 54.7 36.0 25.8 64 79 A Q S S- 0 0 128 -3,-0.4 2,-0.7 79,-0.2 -3,-0.3 -0.838 82.8-114.2-117.8 154.1 56.8 39.1 26.2 65 80 A N + 0 0 133 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.778 29.4 179.8 -86.8 114.8 60.2 39.8 27.7 66 81 A N - 0 0 31 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.641 40.8-122.9 -88.4 -17.4 59.7 41.9 30.8 67 82 A G S S+ 0 0 58 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.652 96.8 76.9 83.0 16.8 63.4 42.1 31.7 68 83 A T + 0 0 31 -10,-0.2 40,-0.1 40,-0.0 -9,-0.1 0.369 61.0 121.4-137.1 1.3 62.8 40.6 35.1 69 84 A E - 0 0 27 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.308 38.0-165.9 -73.2 153.8 62.3 36.8 34.5 70 85 A Q E -M 57 0C 46 -13,-1.5 -13,-2.1 2,-0.1 2,-0.5 -0.983 7.8-157.2-138.4 121.5 64.5 34.1 36.1 71 86 A Y E +M 56 0C 115 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.906 19.0 167.1-107.5 126.2 64.2 30.5 34.7 72 87 A V E -M 55 0C 9 -17,-2.2 -17,-2.8 -2,-0.5 -2,-0.1 -0.998 28.1-123.2-139.9 141.2 65.2 27.6 36.9 73 88 A G E -M 54 0C 29 -2,-0.4 27,-2.8 -19,-0.2 2,-0.5 -0.245 22.4-117.2 -78.2 168.8 64.7 23.9 36.6 74 89 A V E +N 99 0C 32 -21,-1.1 25,-0.2 25,-0.3 -21,-0.2 -0.931 28.9 174.5-109.3 121.2 63.0 21.5 39.1 75 90 A Q E + 0 0 112 23,-2.0 2,-0.3 -2,-0.5 24,-0.2 0.689 66.1 28.5 -99.7 -20.3 65.2 18.8 40.6 76 91 A K E -N 98 0C 75 22,-1.5 22,-2.6 2,-0.0 2,-0.5 -0.988 56.5-163.5-147.2 134.8 62.9 17.3 43.2 77 92 A I E -N 97 0C 70 -2,-0.3 2,-0.7 20,-0.2 20,-0.2 -0.958 5.8-173.7-121.1 115.6 59.1 16.8 43.5 78 93 A V E -N 96 0C 33 18,-2.9 18,-2.3 -2,-0.5 2,-0.2 -0.872 8.5-171.0-111.9 99.5 57.6 15.9 46.8 79 94 A V E -N 95 0C 47 -2,-0.7 16,-0.2 16,-0.2 14,-0.1 -0.607 39.2 -91.0 -87.1 148.4 53.9 15.2 46.5 80 95 A H > - 0 0 18 14,-1.8 3,-2.0 12,-0.3 -1,-0.1 -0.390 35.6-127.2 -59.2 131.7 51.9 14.8 49.7 81 96 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.632 105.9 50.1 -55.9 -18.7 51.9 11.0 50.6 82 97 A Y T 3 S+ 0 0 163 10,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.393 79.8 124.9-103.1 2.6 48.0 10.8 50.8 83 98 A W < - 0 0 30 -3,-2.0 2,-0.4 9,-0.1 9,-0.1 -0.401 39.2-169.9 -65.2 135.1 47.3 12.5 47.4 84 99 A N > - 0 0 76 7,-0.5 3,-2.5 3,-0.3 6,-0.2 -0.946 17.6-151.5-132.4 110.8 45.2 10.4 45.1 85 100 A T T 3 S+ 0 0 77 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.791 96.8 52.4 -47.7 -37.5 44.8 11.5 41.5 86 101 A D T 3 S+ 0 0 153 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.430 110.4 47.9 -84.5 1.7 41.4 10.0 41.2 87 102 A D X + 0 0 76 -3,-2.5 3,-1.8 1,-0.1 -3,-0.3 -0.478 52.4 156.3-142.4 69.3 39.9 11.7 44.3 88 103 A V G > S+ 0 0 46 -3,-0.4 3,-1.9 1,-0.3 5,-0.2 0.824 77.3 65.7 -62.0 -30.4 40.7 15.4 44.3 89 104 A A G 3 S+ 0 0 19 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.629 88.5 68.0 -67.6 -12.9 37.7 15.8 46.6 90 105 A A G < S- 0 0 35 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.608 102.1-141.1 -80.8 -12.0 39.6 13.8 49.2 91 106 A G < + 0 0 3 -3,-1.9 -7,-0.5 -4,-0.2 -1,-0.3 -0.485 66.1 119.1 88.8-159.2 42.0 16.7 49.5 92 107 A Y + 0 0 82 1,-0.2 2,-1.9 79,-0.2 -12,-0.3 0.728 36.2 155.4 65.5 23.8 45.8 16.6 50.0 93 108 A D + 0 0 0 -5,-0.2 2,-0.3 -49,-0.1 131,-0.2 -0.550 32.7 108.6 -83.0 77.1 46.2 18.5 46.7 94 109 A I + 0 0 0 -2,-1.9 -14,-1.8 -51,-0.3 2,-0.3 -0.981 39.0 177.3-155.6 139.0 49.6 20.0 47.6 95 110 A A E -LN 42 79C 0 -53,-2.7 -53,-2.5 -2,-0.3 2,-0.4 -0.979 18.5-141.4-143.0 154.8 53.2 19.5 46.4 96 111 A L E -LN 41 78C 0 -18,-2.3 -18,-2.9 -2,-0.3 2,-0.5 -0.972 13.0-159.0-120.7 129.6 56.7 21.0 47.1 97 112 A L E -LN 40 77C 0 -57,-2.9 -57,-2.0 -2,-0.4 2,-0.6 -0.921 8.1-148.9-112.1 124.5 59.3 21.5 44.4 98 113 A R E -LN 39 76C 36 -22,-2.6 -23,-2.0 -2,-0.5 -22,-1.5 -0.817 24.8-135.4 -89.1 122.4 63.0 21.8 45.2 99 114 A L E - 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