==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-JAN-01 1HV7 . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.SKARZYNSKI,O.M.SINGH . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10701.0 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 . 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 . 19 7.9 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 . 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 2 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,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.6 -11.1 33.8 35.5 2 17 A V B 3 +A 182 0A 10 180,-2.6 180,-2.0 1,-0.2 134,-0.2 -0.758 360.0 10.2 -92.3 136.4 -14.6 34.6 34.3 3 18 A G T 3 S+ 0 0 40 132,-0.7 -1,-0.2 -2,-0.4 2,-0.1 0.818 97.4 140.2 68.0 30.6 -15.8 38.1 35.0 4 19 A G < - 0 0 23 -3,-0.7 2,-0.3 131,-0.1 144,-0.2 -0.322 45.5-134.5 -94.8-175.2 -12.4 39.4 36.0 5 20 A T E -B 147 0B 86 142,-2.2 142,-2.4 -2,-0.1 2,-0.3 -0.917 40.5 -85.6-131.5 158.0 -10.5 42.6 35.4 6 21 A E E -B 146 0B 111 -2,-0.3 140,-0.3 140,-0.2 2,-0.1 -0.498 46.3-128.3 -69.5 128.9 -6.9 42.9 34.4 7 22 A A - 0 0 1 138,-2.8 2,-0.2 -2,-0.3 138,-0.1 -0.460 23.3-108.0 -73.6 145.2 -4.6 42.8 37.5 8 23 A Q > - 0 0 136 -2,-0.1 3,-1.7 1,-0.1 4,-0.5 -0.543 35.9-115.4 -66.1 146.0 -2.1 45.6 37.9 9 24 A R T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.671 111.9 42.7 -62.3 -15.5 1.3 43.9 37.2 10 25 A N T 3 S+ 0 0 89 1,-0.1 -1,-0.3 2,-0.0 99,-0.0 0.344 89.5 88.3-112.9 11.4 2.5 44.5 40.8 11 26 A S S < S+ 0 0 52 -3,-1.7 -2,-0.1 1,-0.2 -1,-0.1 0.865 98.7 25.8 -73.7 -38.0 -0.6 43.6 42.7 12 27 A W > + 0 0 26 -4,-0.5 3,-1.9 1,-0.1 -1,-0.2 -0.543 64.6 164.5-130.1 70.2 0.0 39.8 43.1 13 28 A P T 3 S+ 0 0 30 0, 0.0 97,-1.7 0, 0.0 45,-0.3 0.516 72.6 62.6 -67.4 -9.7 3.7 39.2 43.0 14 29 A S T 3 S+ 0 0 9 95,-0.2 20,-2.8 97,-0.1 2,-0.2 0.556 79.4 105.7 -90.2 -8.8 3.5 35.6 44.4 15 30 A Q E < -I 33 0C 6 -3,-1.9 43,-0.4 18,-0.2 44,-0.4 -0.487 51.0-175.5 -71.8 132.8 1.4 34.4 41.5 16 31 A I E -I 32 0C 1 16,-2.3 16,-0.9 -2,-0.2 2,-0.5 -0.860 25.4-126.3-123.8 161.4 3.2 32.2 39.0 17 32 A S E -IJ 31 56C 0 39,-2.0 39,-2.5 -2,-0.3 2,-0.6 -0.952 20.6-152.4-104.8 124.9 2.4 30.6 35.7 18 33 A L E +IJ 30 55C 0 12,-3.0 11,-3.1 -2,-0.5 12,-1.8 -0.884 23.2 180.0-100.1 123.3 3.0 26.8 35.6 19 34 A Q E -IJ 28 54C 9 35,-2.8 35,-2.3 -2,-0.6 2,-0.3 -0.872 18.4-149.2-125.6 154.3 3.7 25.7 32.1 20 35 A Y E -IJ 27 53C 58 7,-2.3 7,-2.7 -2,-0.3 2,-0.3 -0.917 30.4-101.9-122.4 155.1 4.5 22.4 30.3 21 36 A R E +I 26 0C 162 31,-2.0 2,-0.4 -2,-0.3 31,-0.3 -0.564 40.6 174.5 -77.0 131.4 6.7 21.7 27.3 22 37 A S E > -I 25 0C 54 3,-2.9 3,-2.0 -2,-0.3 2,-0.2 -0.933 59.6 -48.1-141.3 109.2 4.6 21.1 24.2 23 38 A G T 3 S- 0 0 66 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.453 121.1 -24.5 65.0-128.8 6.4 20.7 20.9 24 39 A S T 3 S+ 0 0 134 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.090 131.9 59.9-102.1 22.4 8.9 23.5 20.6 25 40 A S E < S-I 22 0C 62 -3,-2.0 -3,-2.9 -5,-0.0 2,-0.4 -0.755 78.6-110.3-137.3-175.4 7.0 25.7 22.9 26 41 A W E -I 21 0C 94 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.949 23.3-155.0-122.7 140.7 5.6 26.1 26.4 27 42 A A E -I 20 0C 24 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.2 -0.968 18.6-125.0-120.7 129.5 1.9 26.0 27.3 28 43 A H E +I 19 0C 21 -2,-0.5 -9,-0.3 -9,-0.2 3,-0.1 -0.518 37.9 162.4 -68.0 132.2 0.4 27.6 30.4 29 44 A T E - 0 0 24 -11,-3.1 2,-0.3 1,-0.4 157,-0.2 0.643 54.6 -8.9-123.3 -25.0 -1.5 24.9 32.3 30 45 A a E -I 18 0C 6 -12,-1.8 -12,-3.0 157,-0.1 -1,-0.4 -0.967 60.1-105.7-162.8 172.6 -2.1 26.2 35.8 31 46 A G E +I 17 0C 1 157,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.424 32.0 177.2 -99.1 178.3 -1.4 28.8 38.4 32 47 A G E -I 16 0C 0 -16,-0.9 -16,-2.3 -2,-0.1 2,-0.4 -0.943 25.8-119.1-167.9 169.5 0.8 28.5 41.5 33 48 A T E -IK 15 41C 0 8,-2.6 8,-3.0 -2,-0.3 2,-0.5 -0.993 22.1-129.4-125.2 125.6 2.0 30.6 44.5 34 49 A L E + K 0 40C 0 -20,-2.8 78,-3.2 -2,-0.4 6,-0.2 -0.639 35.3 165.9 -71.5 123.7 5.7 31.2 45.1 35 50 A I E + 0 0 2 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.606 66.2 14.9-115.0 -21.6 6.3 30.3 48.8 36 51 A R E > S- K 0 39C 94 3,-1.6 3,-1.4 74,-0.1 -1,-0.4 -0.909 90.2-100.0-139.5 163.3 10.1 30.1 49.0 37 52 A Q T 3 S+ 0 0 88 -2,-0.3 66,-2.4 1,-0.3 64,-0.1 0.792 128.0 28.6 -59.1 -20.9 12.6 31.5 46.5 38 53 A N T 3 S+ 0 0 51 64,-0.2 61,-2.7 62,-0.1 2,-0.4 0.140 111.9 74.9-124.4 18.0 12.8 27.9 45.3 39 54 A W E < -KL 36 98C 6 -3,-1.4 -4,-2.6 59,-0.2 -3,-1.6 -0.996 51.9-168.7-134.4 138.7 9.4 26.4 46.1 40 55 A V E -KL 34 97C 0 57,-2.2 57,-2.8 -2,-0.4 2,-0.5 -0.976 13.5-144.7-124.2 137.6 6.0 26.8 44.5 41 56 A M E +KL 33 96C 0 -8,-3.0 -8,-2.6 -2,-0.4 2,-0.2 -0.865 36.7 144.7-101.3 128.8 2.7 25.7 45.9 42 57 A T E - L 0 95C 0 53,-2.8 53,-2.2 -2,-0.5 2,-0.3 -0.735 50.8 -69.2-144.5-171.1 0.1 24.4 43.4 43 58 A A >> - 0 0 0 -12,-0.4 3,-1.7 51,-0.3 4,-0.6 -0.738 30.9-134.2 -90.1 143.1 -2.6 21.9 42.9 44 59 A A H >> S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.3 4,-0.7 0.875 107.1 63.5 -58.2 -37.9 -1.8 18.2 42.7 45 60 A H H 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.2 143,-0.1 0.569 96.3 59.3 -63.7 -12.9 -4.2 17.9 39.7 46 61 A a H <4 S+ 0 0 4 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.725 117.3 28.1 -86.1 -22.3 -1.8 20.3 37.8 47 62 A V H << S+ 0 0 9 -3,-1.2 2,-0.3 -4,-0.6 -2,-0.2 0.228 83.6 101.8-126.0 13.1 1.2 18.1 38.1 48 63 A D S < S+ 0 0 44 -4,-0.7 2,-0.3 2,-0.1 -1,-0.1 -0.161 71.6 93.9 -90.2 43.4 -0.1 14.5 38.3 49 64 A R S S- 0 0 119 -2,-0.3 2,-1.8 2,-0.1 -3,-0.0 -0.902 88.7-106.3-133.8 158.9 0.8 14.1 34.6 50 65 A E S S+ 0 0 195 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.368 76.1 118.9 -88.3 65.6 3.9 12.9 32.6 51 66 A L - 0 0 59 -2,-1.8 2,-0.5 -4,-0.1 -2,-0.1 -0.773 67.1-114.2-127.3 166.3 5.1 16.3 31.5 52 67 A T - 0 0 86 -31,-0.3 -31,-2.0 -2,-0.3 2,-0.3 -0.901 41.7-163.4 -98.4 125.9 8.1 18.6 31.8 53 68 A F E -J 20 0C 9 -2,-0.5 21,-1.8 21,-0.2 2,-0.3 -0.754 17.1-178.1-116.8 156.8 7.2 21.7 33.7 54 69 A R E -JM 19 73C 45 -35,-2.3 -35,-2.8 -2,-0.3 2,-0.4 -0.949 18.6-136.2-140.5 161.3 8.6 25.1 34.2 55 70 A V E -JM 18 72C 0 17,-3.1 17,-2.7 -2,-0.3 2,-0.5 -0.937 8.3-155.5-119.8 140.9 7.5 28.0 36.3 56 71 A V E -JM 17 71C 0 -39,-2.5 -39,-2.0 -2,-0.4 3,-0.3 -0.972 11.7-174.1-118.2 123.1 7.4 31.6 35.3 57 72 A V E S+ M 0 70C 2 13,-2.6 13,-2.1 -2,-0.5 52,-0.1 -0.783 70.4 34.4-107.0 159.5 7.6 34.3 37.9 58 73 A G S S+ 0 0 6 50,-0.7 2,-0.4 -43,-0.4 10,-0.3 0.798 86.4 152.3 68.9 25.2 7.2 38.0 37.2 59 74 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.786 17.0 151.6 -97.3 128.3 4.7 37.1 34.5 60 75 A H S S+ 0 0 8 -2,-0.4 85,-1.9 1,-0.3 2,-0.5 0.653 71.5 32.0-115.5 -49.7 1.9 39.4 33.5 61 76 A N B > -O 144 0D 12 3,-0.4 3,-0.8 83,-0.2 -1,-0.3 -0.964 62.4-156.5-117.7 120.0 1.1 38.6 29.8 62 77 A L T 3 S+ 0 0 34 81,-2.5 -1,-0.1 -2,-0.5 82,-0.1 0.698 95.1 41.1 -66.9 -20.3 1.6 35.0 28.7 63 78 A N T 3 S+ 0 0 108 80,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.355 110.8 55.6-110.0 1.3 2.0 36.1 25.1 64 79 A Q S < S- 0 0 121 -3,-0.8 2,-0.5 79,-0.2 -3,-0.4 -0.978 85.6-103.5-137.1 150.4 4.2 39.2 25.3 65 80 A N - 0 0 133 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.584 30.9-176.1 -72.3 119.3 7.5 40.0 26.8 66 81 A D - 0 0 27 -2,-0.5 -1,-0.2 -5,-0.2 -7,-0.0 0.669 35.4-128.8 -85.6 -24.7 6.8 42.0 30.1 67 82 A G S S+ 0 0 60 -3,-0.1 -2,-0.1 1,-0.0 -8,-0.1 0.638 94.6 75.4 80.9 17.3 10.5 42.6 30.8 68 83 A T + 0 0 28 -10,-0.3 -9,-0.1 -11,-0.1 40,-0.1 0.326 65.2 121.0-134.9 -1.6 10.1 41.2 34.3 69 84 A E - 0 0 27 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.321 39.2-166.6 -74.3 150.9 9.9 37.5 33.9 70 85 A Q E -M 57 0C 48 -13,-2.1 -13,-2.6 -2,-0.1 2,-0.5 -0.988 12.7-155.2-131.8 123.6 12.2 34.8 35.3 71 86 A Y E +M 56 0C 110 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.873 19.5 173.1-102.4 124.9 11.8 31.3 33.7 72 87 A V E -M 55 0C 7 -17,-2.7 -17,-3.1 -2,-0.5 -2,-0.0 -0.994 26.6-124.8-139.1 137.8 12.8 28.4 35.9 73 88 A G E -M 54 0C 31 -2,-0.4 27,-2.8 -19,-0.2 2,-0.6 -0.320 27.1-114.1 -77.0 160.3 12.6 24.7 35.5 74 89 A V E -N 99 0C 29 -21,-1.8 25,-0.2 25,-0.2 -21,-0.2 -0.856 30.4-179.0 -95.3 122.5 10.9 22.4 38.0 75 90 A Q E + 0 0 111 23,-2.6 2,-0.3 -2,-0.6 24,-0.2 0.848 64.9 12.1 -90.4 -38.8 13.4 20.1 39.7 76 91 A K E -N 98 0C 80 22,-1.7 22,-2.9 2,-0.0 2,-0.5 -1.000 59.6-155.3-145.4 143.0 11.3 18.0 42.0 77 92 A I E -N 97 0C 61 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.973 5.8-173.3-122.8 125.9 7.5 17.5 42.5 78 93 A V E -N 96 0C 28 18,-3.0 18,-2.6 -2,-0.5 2,-0.3 -0.934 9.4-168.8-118.8 105.7 5.9 16.4 45.8 79 94 A V E -N 95 0C 40 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.654 40.9 -89.5 -90.2 147.9 2.2 15.7 45.5 80 95 A H > - 0 0 16 14,-2.4 3,-1.7 12,-0.3 -1,-0.1 -0.341 38.7-130.0 -54.6 132.6 0.2 15.2 48.6 81 96 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.674 103.8 51.8 -64.1 -15.8 0.4 11.5 49.3 82 97 A Y T 3 S+ 0 0 157 10,-0.1 -2,-0.1 2,-0.0 11,-0.1 0.408 82.2 122.8-100.0 2.9 -3.3 11.0 49.8 83 98 A W < - 0 0 29 -3,-1.7 2,-0.4 9,-0.2 9,-0.1 -0.351 41.2-169.5 -64.3 140.5 -4.1 12.7 46.4 84 99 A N > - 0 0 82 7,-0.4 3,-2.5 3,-0.3 6,-0.2 -0.961 16.6-147.4-134.8 113.0 -6.1 10.6 43.9 85 100 A T T 3 S+ 0 0 59 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.793 98.3 47.9 -49.3 -37.7 -6.4 12.0 40.4 86 101 A D T 3 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.287 109.6 55.1 -93.0 15.2 -9.8 10.6 39.8 87 102 A D X + 0 0 72 -3,-2.5 3,-1.6 4,-0.1 4,-0.4 -0.443 52.6 153.1-140.7 57.9 -11.2 11.8 43.1 88 103 A V G > S+ 0 0 33 -3,-0.4 3,-1.8 1,-0.3 5,-0.2 0.877 72.5 66.9 -58.2 -30.8 -10.7 15.6 43.3 89 104 A A G 3 S+ 0 0 28 1,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.668 87.6 66.1 -64.1 -15.9 -13.7 15.8 45.6 90 105 A A G < S- 0 0 36 -3,-1.6 -1,-0.3 1,-0.3 2,-0.3 0.740 104.0-137.9 -75.0 -25.6 -11.9 13.8 48.3 91 106 A G < + 0 0 3 -3,-1.8 -7,-0.4 -4,-0.4 -1,-0.3 -0.691 67.7 120.9 104.4-155.8 -9.5 16.7 48.7 92 107 A Y + 0 0 84 -2,-0.3 2,-2.1 1,-0.2 -12,-0.3 0.698 36.7 155.6 63.4 24.4 -5.7 16.7 49.1 93 108 A D + 0 0 1 -5,-0.2 2,-0.3 -50,-0.1 131,-0.2 -0.501 33.1 105.7 -83.3 75.4 -5.4 18.8 45.9 94 109 A I + 0 0 0 -2,-2.1 -14,-2.4 -51,-0.3 2,-0.3 -0.994 38.0 171.6-153.0 148.6 -2.0 20.3 46.7 95 110 A A E -LN 42 79C 0 -53,-2.2 -53,-2.8 -2,-0.3 2,-0.4 -0.988 21.2-138.0-154.6 152.9 1.6 19.8 45.6 96 111 A L E -LN 41 78C 0 -18,-2.6 -18,-3.0 -2,-0.3 2,-0.5 -0.952 12.7-156.7-118.3 141.1 4.9 21.5 46.1 97 112 A L E -LN 40 77C 0 -57,-2.8 -57,-2.2 -2,-0.4 2,-0.5 -0.962 6.5-149.7-118.5 124.2 7.4 22.1 43.4 98 113 A R E -LN 39 76C 52 -22,-2.9 -23,-2.6 -2,-0.5 -22,-1.7 -0.812 24.6-135.7 -91.5 127.4 11.1 22.6 44.1 99 114 A L E - 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