==== 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/HYDROLASE INHIBITOR 24-MAR-86 2EST . COMPND 2 MOLECULE: ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR L.C.SIEKER,D.L.HUGHES . 241 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10888.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 65.6 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 . 82 34.0 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 . 29 12.0 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 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 . 5 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 E V > 0 0 1 0, 0.0 3,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.8 11.4 62.1 1.6 2 17 E V B 3 +A 182 0A 6 180,-1.5 180,-1.9 1,-0.2 134,-0.2 -0.632 360.0 11.5 -79.4 136.6 15.0 62.7 2.9 3 18 E G T 3 S+ 0 0 40 132,-0.9 -1,-0.2 -2,-0.3 2,-0.1 0.744 100.9 139.4 67.5 24.8 16.4 66.3 2.3 4 19 E G < - 0 0 23 -3,-0.7 2,-0.3 131,-0.1 144,-0.2 -0.259 44.0-138.8 -86.8 173.0 12.8 67.7 1.3 5 20 E T E -B 147 0B 87 142,-2.1 142,-2.7 -2,-0.1 2,-0.2 -0.912 37.7 -86.0-133.1 166.4 10.8 70.9 2.0 6 21 E E E -B 146 0B 125 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.554 41.0-139.7 -75.9 143.4 7.2 71.3 2.8 7 22 E A - 0 0 5 138,-2.1 2,-0.3 -2,-0.2 138,-0.1 -0.329 23.1-107.0 -83.6 161.1 4.9 71.5 -0.2 8 23 E Q > - 0 0 143 -2,-0.1 3,-2.8 1,-0.1 4,-0.4 -0.731 37.0-104.2 -97.1 153.8 1.9 74.0 -0.3 9 24 E R T 3 S+ 0 0 122 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.891 118.8 40.7 -44.4 -37.8 -1.6 72.4 0.0 10 25 E N T 3 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.0 99,-0.0 0.341 90.1 100.7 -91.7 3.5 -2.6 72.7 -3.7 11 26 E S S < S+ 0 0 35 -3,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.937 93.9 10.6 -64.6 -55.3 0.8 71.7 -4.9 12 27 E W > + 0 0 26 -4,-0.4 3,-1.3 -3,-0.2 -1,-0.3 -0.814 68.5 172.4-129.1 81.2 0.4 68.0 -5.9 13 28 E P T 3 S+ 0 0 37 0, 0.0 97,-2.4 0, 0.0 45,-0.3 0.381 73.2 62.1 -74.8 -2.5 -3.3 67.3 -5.8 14 29 E S T 3 S+ 0 0 9 95,-0.2 20,-2.2 97,-0.2 98,-0.2 0.524 79.5 113.5 -97.0 -6.8 -3.1 63.8 -7.3 15 30 E Q E < -I 33 0C 5 -3,-1.3 43,-0.7 18,-0.2 44,-0.4 -0.394 46.6-175.3 -65.0 133.1 -1.0 62.7 -4.2 16 31 E I E -IJ 32 57C 0 16,-1.7 16,-1.0 -2,-0.2 2,-0.5 -0.889 21.9-135.9-130.1 163.2 -2.8 60.1 -2.0 17 32 E S E -IJ 31 56C 0 39,-1.4 39,-1.8 -2,-0.3 2,-0.7 -0.960 15.0-149.0-121.3 120.2 -1.8 58.5 1.3 18 33 E L E -IJ 30 55C 0 12,-3.9 11,-3.0 -2,-0.5 12,-1.6 -0.858 24.6-177.2 -93.3 116.3 -2.5 54.7 1.5 19 34 E Q E -IJ 28 54C 8 35,-3.5 35,-1.9 -2,-0.7 2,-0.3 -0.909 17.2-148.7-119.1 151.0 -3.3 53.9 5.1 20 35 E Y E -IJ 27 53C 71 7,-2.5 7,-3.2 -2,-0.4 2,-0.7 -0.820 32.0-103.5-116.5 156.5 -4.0 50.6 6.9 21 36 E R E -I 26 0C 138 31,-2.0 31,-0.4 -2,-0.3 2,-0.4 -0.813 33.7-169.0 -82.9 115.0 -6.4 50.1 10.0 22 36AE S E > -I 25 0C 59 3,-2.5 3,-2.0 -2,-0.7 2,-1.2 -0.891 55.7 -76.0-115.2 76.6 -4.0 49.7 12.9 23 36BE G T 3 S+ 0 0 69 -2,-0.4 -2,-0.1 1,-0.3 3,-0.0 -0.462 120.4 7.6 66.5 -89.6 -6.5 48.6 15.5 24 36CE S T 3 S+ 0 0 124 -2,-1.2 -1,-0.3 2,-0.0 2,-0.2 0.678 135.1 22.0 -86.5 -27.6 -8.4 51.6 16.6 25 37 E S E < S-I 22 0C 67 -3,-2.0 -3,-2.5 -5,-0.0 2,-0.3 -0.641 82.1 -96.5-130.5-166.2 -7.1 54.0 14.0 26 38 E W E -I 21 0C 54 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.3 -0.852 29.3-158.4-116.4 135.6 -5.4 54.1 10.6 27 39 E A E -I 20 0C 33 -7,-3.2 -7,-2.5 -2,-0.3 2,-0.1 -0.941 23.3-110.7-116.9 143.0 -1.6 54.5 9.9 28 40 E H E +I 19 0C 22 -2,-0.4 -9,-0.2 -9,-0.3 3,-0.1 -0.393 42.2 157.2 -66.2 133.6 0.2 55.7 6.7 29 41 E T E - 0 0 44 -11,-3.0 2,-0.3 1,-0.4 157,-0.2 0.663 59.2 -0.7-126.2 -43.1 2.1 53.0 4.9 30 42 E C E -I 18 0C 6 -12,-1.6 -12,-3.9 157,-0.1 -1,-0.4 -0.947 55.5-118.0-150.1 162.9 2.4 54.4 1.3 31 43 E G E +I 17 0C 2 157,-1.7 12,-0.4 -2,-0.3 2,-0.3 -0.338 31.3 172.6 -88.8 179.8 1.9 57.1 -1.2 32 44 E G E -I 16 0C 0 -16,-1.0 -16,-1.7 10,-0.1 2,-0.4 -0.950 30.2-113.7-165.5-178.5 -0.2 56.7 -4.5 33 45 E T E -IK 15 41C 0 8,-1.9 8,-2.7 -2,-0.3 2,-0.4 -0.980 24.2-129.2-129.3 122.9 -1.5 58.8 -7.4 34 46 E L E + K 0 40C 0 -20,-2.2 78,-2.4 -2,-0.4 6,-0.3 -0.674 35.2 168.0 -59.9 113.7 -5.3 59.3 -7.9 35 47 E I E + 0 0 2 4,-2.7 2,-0.3 -2,-0.4 5,-0.2 0.561 64.7 16.7-116.2 -8.3 -5.8 58.3 -11.7 36 48 E R E > S- K 0 39C 99 3,-1.9 3,-1.5 74,-0.1 -1,-0.3 -0.948 85.8-105.0-147.5 160.7 -9.6 58.1 -11.9 37 49 E Q T 3 S+ 0 0 92 -2,-0.3 66,-3.6 1,-0.3 64,-0.1 0.730 129.6 27.9 -55.4 -25.4 -12.3 59.4 -9.5 38 50 E N T 3 S+ 0 0 46 64,-0.3 61,-2.1 62,-0.1 2,-0.4 0.124 115.7 78.0-124.4 11.0 -12.6 55.7 -8.4 39 51 E W E < -KL 36 98C 2 -3,-1.5 -4,-2.7 59,-0.2 -3,-1.9 -0.971 50.5-172.2-140.7 136.0 -9.0 54.4 -9.2 40 52 E V E -KL 34 97C 0 57,-2.4 57,-2.1 -2,-0.4 2,-0.6 -0.886 13.4-148.1-120.6 146.8 -5.5 54.7 -7.6 41 53 E M E +KL 33 96C 0 -8,-2.7 -8,-1.9 -2,-0.4 55,-0.2 -0.876 34.0 146.2-110.0 130.3 -2.0 53.7 -8.7 42 54 E T E - L 0 95C 0 53,-2.5 53,-1.8 -2,-0.6 2,-0.3 -0.657 50.3 -74.2-142.0-171.6 0.5 52.5 -6.1 43 55 E A >> - 0 0 0 -12,-0.4 3,-1.2 51,-0.3 4,-0.8 -0.645 32.3-129.3 -96.9 140.8 3.4 50.1 -5.8 44 56 E A G >4 S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.2 -1,-0.1 0.940 105.1 62.9 -59.0 -47.2 2.7 46.4 -5.6 45 57 E H G >4 S+ 0 0 26 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.603 98.2 62.8 -61.9 -9.9 5.0 45.9 -2.4 46 58 E C G <4 S+ 0 0 12 -3,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.759 106.1 38.7 -81.6 -31.5 2.5 48.2 -0.5 47 59 E V G << S+ 0 0 16 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 -0.026 85.8 108.5-102.0 31.1 -0.6 46.1 -0.9 48 60 E D < + 0 0 59 -3,-0.6 2,-0.6 1,-0.1 -1,-0.1 0.888 68.4 63.4 -76.2 -32.0 1.4 42.8 -0.3 49 61 E R S S- 0 0 207 -3,-0.3 2,-1.6 -4,-0.2 -1,-0.1 -0.840 93.4-118.4 -94.6 128.9 -0.0 42.2 3.2 50 62 E E + 0 0 196 -2,-0.6 2,-0.2 2,-0.0 -3,-0.1 -0.534 59.3 140.9 -71.3 85.0 -3.7 41.6 3.4 51 63 E L - 0 0 78 -2,-1.6 2,-0.7 -29,-0.0 -29,-0.1 -0.575 62.1 -91.4-119.7 178.0 -4.8 44.5 5.6 52 64 E T - 0 0 90 -31,-0.4 -31,-2.0 -2,-0.2 2,-0.3 -0.875 54.1-166.5 -96.9 125.5 -7.8 46.8 5.6 53 65 E F E -J 20 0C 13 -2,-0.7 21,-1.2 -33,-0.2 2,-0.3 -0.779 15.8-174.3-118.2 151.2 -6.7 49.9 3.5 54 65AE R E -JM 19 73C 53 -35,-1.9 -35,-3.5 -2,-0.3 2,-0.4 -0.974 16.6-138.5-134.9 153.1 -8.0 53.3 2.9 55 66 E V E -JM 18 72C 0 17,-2.9 17,-2.7 -2,-0.3 2,-0.5 -0.871 8.4-158.6-117.9 136.6 -7.1 56.1 0.6 56 67 E V E -JM 17 71C 0 -39,-1.8 -39,-1.4 -2,-0.4 3,-0.4 -0.987 11.7-169.5-116.4 115.4 -7.0 59.7 1.7 57 68 E V E S+JM 16 70C 1 13,-2.2 13,-1.5 -2,-0.5 -41,-0.1 -0.727 70.1 25.2-102.1 152.5 -7.2 62.2 -1.2 58 69 E G S S+ 0 0 6 -43,-0.7 2,-0.2 -2,-0.3 -1,-0.2 0.886 86.5 151.5 63.7 43.9 -6.5 65.8 -0.6 59 70 E E + 0 0 14 -44,-0.4 -1,-0.2 -3,-0.4 3,-0.1 -0.700 18.1 154.6 -97.8 151.6 -4.3 65.3 2.4 60 71 E H S S+ 0 0 10 1,-0.4 85,-1.3 -2,-0.2 2,-0.5 0.334 70.7 36.5-141.5 -57.3 -1.5 67.5 3.6 61 72 E N B > -O 144 0D 9 3,-0.3 3,-1.0 83,-0.2 -1,-0.4 -0.964 66.3-156.9-105.8 119.4 -0.9 67.1 7.5 62 73 E L T 3 S+ 0 0 37 81,-2.4 -1,-0.2 -2,-0.5 82,-0.1 0.916 90.1 42.1 -66.3 -40.8 -1.5 63.5 8.6 63 74 E N T 3 S+ 0 0 121 80,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.343 109.3 61.3 -86.9 -5.5 -2.2 64.2 12.2 64 75 E Q S < S- 0 0 114 -3,-1.0 2,-0.4 79,-0.2 -3,-0.3 -0.989 84.0-112.5-132.4 133.9 -4.5 67.4 11.8 65 76 E N - 0 0 133 -2,-0.3 -3,-0.1 1,-0.2 -2,-0.0 -0.692 27.5-175.2 -72.9 131.9 -7.9 67.9 10.1 66 77 E N - 0 0 24 -2,-0.4 -1,-0.2 -8,-0.1 -4,-0.0 0.318 39.6-124.0 -97.2 -5.3 -7.1 70.2 7.1 67 78 E G S S+ 0 0 63 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 0.373 96.9 79.4 68.4 6.4 -10.9 70.4 6.3 68 79 E T + 0 0 27 -10,-0.2 2,-0.2 40,-0.0 40,-0.1 0.346 62.6 117.1-116.8 -0.4 -10.2 69.2 2.7 69 80 E E - 0 0 24 -13,-0.0 2,-0.3 1,-0.0 -11,-0.2 -0.598 43.1-159.4 -85.9 146.8 -9.7 65.3 3.0 70 81 E Q E -M 57 0C 54 -13,-1.5 -13,-2.2 -2,-0.2 2,-0.6 -0.976 9.9-155.2-132.7 116.2 -11.8 62.5 1.4 71 82 E Y E +M 56 0C 120 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.922 20.3 175.6 -98.3 113.4 -11.5 59.1 3.1 72 83 E V E -M 55 0C 13 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.2 -0.980 23.7-130.6-133.0 144.1 -12.3 56.3 0.8 73 84 E G E -M 54 0C 31 -2,-0.4 27,-3.6 -19,-0.2 2,-0.5 -0.479 21.7-120.3 -81.1 157.8 -12.2 52.5 1.1 74 85 E V E +N 99 0C 33 -21,-1.2 25,-0.3 25,-0.3 -21,-0.2 -0.887 26.5 178.7 -93.3 115.6 -10.6 50.1 -1.4 75 86 E Q E S+ 0 0 121 23,-2.8 2,-0.4 -2,-0.5 24,-0.2 0.746 70.6 17.1 -94.2 -24.7 -13.2 47.6 -2.8 76 87 E K E -N 98 0C 94 22,-2.1 22,-2.1 2,-0.0 2,-0.5 -0.998 61.4-152.7-147.8 145.3 -10.7 45.7 -5.2 77 88 E I E -N 97 0C 73 -2,-0.4 2,-0.5 20,-0.2 20,-0.2 -0.992 9.5-172.5-117.8 131.0 -6.9 45.4 -5.4 78 89 E V E -N 96 0C 29 18,-3.6 18,-2.5 -2,-0.5 2,-0.3 -0.937 8.5-179.9-125.7 100.9 -5.3 44.6 -8.8 79 90 E V E -N 95 0C 61 -2,-0.5 16,-0.2 16,-0.3 14,-0.1 -0.702 42.8 -86.0-104.4 147.6 -1.6 43.9 -8.6 80 91 E H > - 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