==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-APR-02 1LKA . COMPND 2 MOLECULE: ELASTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.S.WEISS,S.PANJIKAR,E.NOWAK,P.A.TUCKER . 240 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 62.9 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 . 17 7.1 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 1 A V > 0 0 1 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 127.3 11.2 -4.5 -1.6 2 2 A V B 3 +A 182 0A 8 180,-2.4 180,-1.9 1,-0.2 134,-0.1 -0.784 360.0 10.0 -97.5 136.2 14.8 -5.3 -2.9 3 3 A G T 3 S+ 0 0 42 132,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.804 97.8 141.4 66.8 34.1 16.1 -8.8 -2.2 4 4 A G < - 0 0 23 -3,-0.5 2,-0.3 144,-0.1 144,-0.2 -0.279 46.1-131.6 -98.2 179.9 12.7 -10.1 -1.0 5 5 A T E -B 147 0B 87 142,-2.4 142,-2.4 -2,-0.1 2,-0.2 -0.941 38.3 -88.5-125.4 157.9 10.9 -13.4 -1.5 6 6 A E E -B 146 0B 107 -2,-0.3 140,-0.2 140,-0.2 2,-0.1 -0.439 46.1-127.4 -69.7 128.6 7.2 -13.8 -2.6 7 7 A A - 0 0 1 138,-2.6 2,-0.1 -2,-0.2 138,-0.1 -0.495 22.8-107.6 -73.5 144.4 4.9 -13.7 0.5 8 8 A Q > - 0 0 132 -2,-0.1 3,-1.9 1,-0.1 4,-0.4 -0.491 37.4-109.3 -66.8 147.2 2.4 -16.5 1.0 9 9 A R T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.713 113.3 34.9 -50.7 -33.5 -1.1 -15.3 0.2 10 10 A N T 3 S+ 0 0 96 1,-0.1 -1,-0.3 99,-0.0 99,-0.0 0.262 89.6 95.9-109.8 18.5 -2.3 -15.3 3.8 11 11 A S S < S+ 0 0 51 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.855 95.2 24.4 -74.9 -36.3 0.9 -14.3 5.7 12 12 A W > + 0 0 23 -4,-0.4 3,-1.7 1,-0.1 -1,-0.2 -0.597 65.6 164.9-131.1 71.2 0.2 -10.6 6.1 13 13 A P T 3 S+ 0 0 33 0, 0.0 97,-1.3 0, 0.0 45,-0.3 0.612 73.0 62.0 -72.1 -9.1 -3.5 -10.0 5.9 14 14 A S T 3 S+ 0 0 8 95,-0.2 20,-2.6 97,-0.1 98,-0.2 0.567 79.1 107.1 -89.9 -9.7 -3.3 -6.4 7.4 15 15 A Q E < -I 33 0C 5 -3,-1.7 43,-0.5 18,-0.2 44,-0.4 -0.465 50.8-175.5 -67.9 130.2 -1.2 -5.3 4.4 16 16 A I E -I 32 0C 0 16,-2.3 16,-1.0 -2,-0.2 2,-0.5 -0.854 24.6-127.1-122.4 163.6 -3.1 -3.0 2.0 17 17 A S E -IJ 31 56C 0 39,-2.2 39,-2.4 -2,-0.3 2,-0.6 -0.965 17.9-153.5-109.5 122.9 -2.3 -1.4 -1.4 18 18 A L E -IJ 30 55C 0 12,-3.0 11,-3.1 -2,-0.5 12,-1.9 -0.884 24.1-179.9 -99.5 118.9 -2.9 2.4 -1.5 19 19 A Q E -IJ 28 54C 9 35,-2.8 35,-2.3 -2,-0.6 2,-0.3 -0.883 18.8-146.0-123.9 153.7 -3.7 3.4 -5.1 20 20 A Y E -IJ 27 53C 62 7,-2.4 7,-2.4 -2,-0.3 2,-0.3 -0.874 30.2-102.1-121.3 154.5 -4.5 6.6 -7.0 21 21 A R E +I 26 0C 109 31,-1.9 2,-0.4 -2,-0.3 31,-0.3 -0.605 38.8 179.4 -75.1 128.7 -6.7 7.2 -10.0 22 22 A S E > -I 25 0C 36 3,-3.0 3,-2.0 -2,-0.3 2,-0.4 -0.903 60.0 -54.4-134.9 99.4 -4.7 7.6 -13.1 23 23 A G T 3 S- 0 0 79 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.539 120.3 -22.8 69.9-120.6 -6.7 8.1 -16.3 24 24 A S T 3 S+ 0 0 115 -2,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.117 131.1 65.7-109.9 20.9 -9.2 5.3 -16.4 25 25 A S E < S-I 22 0C 62 -3,-2.0 -3,-3.0 -5,-0.0 2,-0.4 -0.729 76.2-118.8-130.6-179.1 -7.1 3.0 -14.2 26 26 A W E -I 21 0C 73 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.964 23.5-160.4-122.3 140.1 -5.8 2.7 -10.7 27 27 A A E -I 20 0C 27 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.1 -0.990 20.3-121.3-124.9 130.0 -2.1 2.6 -9.9 28 28 A H E +I 19 0C 17 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.421 38.1 161.4 -60.7 137.9 -0.4 1.3 -6.7 29 29 A T E - 0 0 25 -11,-3.1 2,-0.3 1,-0.4 159,-0.2 0.592 58.0 -2.0-127.1 -30.8 1.6 4.1 -5.0 30 30 A a E -I 18 0C 5 -12,-1.9 -12,-3.0 157,-0.1 -1,-0.4 -0.959 61.3-115.4-155.2 165.1 2.1 3.0 -1.4 31 31 A G E +I 17 0C 1 157,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.467 29.5 179.6 -94.2-175.2 1.4 0.3 1.2 32 32 A G E -I 16 0C 0 -16,-1.0 -16,-2.3 -2,-0.2 2,-0.4 -0.942 26.1-116.2-169.4 171.4 -0.6 0.7 4.4 33 33 A T E -IK 15 41C 0 8,-2.5 8,-3.1 -2,-0.3 2,-0.5 -0.997 23.1-130.3-123.8 128.1 -1.8 -1.4 7.4 34 34 A L E + K 0 40C 0 -20,-2.6 78,-3.3 -2,-0.4 6,-0.2 -0.686 34.4 167.1 -74.1 120.7 -5.5 -2.0 8.1 35 35 A I E + 0 0 4 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.592 66.4 14.1-115.7 -18.0 -6.0 -1.1 11.8 36 36 A R E > S- K 0 39C 84 3,-1.7 3,-1.5 74,-0.1 -1,-0.4 -0.910 89.9 -99.3-140.2 166.4 -9.8 -0.9 12.0 37 37 A Q T 3 S+ 0 0 86 -2,-0.3 66,-2.2 1,-0.3 64,-0.1 0.804 127.8 27.3 -63.4 -18.6 -12.4 -2.3 9.5 38 38 A N T 3 S+ 0 0 51 64,-0.2 61,-2.4 62,-0.1 2,-0.4 0.064 113.0 77.1-124.8 24.2 -12.7 1.3 8.2 39 39 A W E < -KL 36 98C 5 -3,-1.5 -4,-2.6 59,-0.2 -3,-1.7 -0.994 51.4-169.7-137.8 136.2 -9.2 2.8 9.1 40 40 A V E -KL 34 97C 0 57,-2.4 57,-3.0 -2,-0.4 2,-0.5 -0.974 13.7-145.6-118.6 140.1 -5.8 2.4 7.4 41 41 A M E +KL 33 96C 0 -8,-3.1 -8,-2.5 -2,-0.4 2,-0.2 -0.886 36.2 146.8-102.1 126.0 -2.5 3.6 8.8 42 42 A T E - L 0 95C 0 53,-2.7 53,-2.1 -2,-0.5 2,-0.4 -0.761 50.9 -69.8-141.2-168.7 0.0 4.8 6.1 43 43 A A >> - 0 0 0 -12,-0.4 3,-1.0 51,-0.2 4,-0.5 -0.735 33.1-134.5 -90.3 141.8 2.8 7.3 5.7 44 44 A A G >4 S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.2 -1,-0.1 0.900 105.1 60.3 -57.3 -40.8 1.9 11.0 5.6 45 45 A H G >4 S+ 0 0 57 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.794 92.7 67.0 -62.9 -20.1 4.1 11.5 2.5 46 46 A a G <4 S+ 0 0 3 -3,-1.0 -1,-0.3 1,-0.3 3,-0.2 0.784 107.1 39.6 -69.4 -24.8 2.1 9.0 0.5 47 47 A V G << S+ 0 0 15 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.053 79.3 106.9-115.1 28.0 -0.9 11.4 0.6 48 48 A D < + 0 0 59 -3,-1.2 2,-0.2 2,-0.1 -1,-0.1 0.899 67.6 77.5 -69.0 -38.9 0.9 14.7 0.1 49 49 A R S S- 0 0 125 -4,-0.3 2,-2.1 -3,-0.2 0, 0.0 -0.546 90.1-123.7 -74.6 140.2 -0.5 14.8 -3.5 50 50 A E + 0 0 202 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 -0.319 61.9 139.9 -80.2 58.9 -4.2 15.9 -3.8 51 51 A L - 0 0 62 -2,-2.1 2,-0.6 1,-0.0 -31,-0.0 -0.461 62.7 -97.3 -99.5 173.8 -5.3 12.7 -5.6 52 52 A T - 0 0 92 -31,-0.3 -31,-1.9 -2,-0.1 2,-0.3 -0.819 50.8-168.1 -85.0 122.8 -8.2 10.3 -5.7 53 53 A F E -J 20 0C 11 -2,-0.6 21,-2.1 21,-0.3 2,-0.3 -0.847 16.8-179.6-118.3 152.7 -7.2 7.4 -3.5 54 54 A R E -JM 19 73C 45 -35,-2.3 -35,-2.8 -2,-0.3 2,-0.4 -0.952 19.1-136.9-136.9 158.5 -8.6 3.9 -2.9 55 55 A V E -JM 18 72C 0 17,-3.1 17,-2.6 -2,-0.3 2,-0.5 -0.930 8.9-155.1-114.3 142.2 -7.4 1.1 -0.7 56 56 A V E -JM 17 71C 0 -39,-2.4 -39,-2.2 -2,-0.4 3,-0.3 -0.985 11.6-174.4-117.4 121.4 -7.3 -2.6 -1.7 57 57 A V E S+ M 0 70C 1 13,-2.3 13,-2.1 -2,-0.5 52,-0.1 -0.754 70.8 34.3-104.7 157.9 -7.4 -5.1 1.0 58 58 A G S S+ 0 0 5 50,-0.6 2,-0.4 -43,-0.5 10,-0.3 0.793 87.3 150.0 69.6 26.0 -7.0 -8.9 0.3 59 59 A E + 0 0 17 -44,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.712 16.0 149.0 -97.4 143.7 -4.6 -8.0 -2.5 60 60 A H + 0 0 8 -2,-0.4 85,-1.7 1,-0.3 2,-0.5 0.612 69.9 36.0-133.7 -51.8 -1.7 -10.2 -3.5 61 61 A N B > -O 144 0D 12 3,-0.3 3,-1.0 83,-0.2 -1,-0.3 -0.954 61.5-159.1-113.5 119.3 -1.0 -9.7 -7.2 62 62 A L T 3 S+ 0 0 38 81,-2.7 -1,-0.1 -2,-0.5 82,-0.1 0.689 93.7 42.5 -69.1 -17.8 -1.5 -6.1 -8.5 63 63 A N T 3 S+ 0 0 104 80,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.332 110.5 54.7-111.2 3.7 -1.9 -7.3 -12.1 64 64 A Q S < S- 0 0 128 -3,-1.0 2,-0.7 79,-0.2 -3,-0.3 -0.972 86.1-103.2-141.2 148.8 -4.2 -10.4 -11.7 65 65 A N - 0 0 138 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.615 31.6-175.4 -72.6 117.9 -7.5 -11.1 -10.2 66 66 A D - 0 0 26 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.631 34.8-128.3 -86.7 -20.3 -6.8 -12.9 -6.9 67 67 A G S S+ 0 0 64 1,-0.0 -2,-0.1 2,-0.0 -8,-0.1 0.548 95.4 73.9 82.5 6.2 -10.5 -13.6 -6.1 68 68 A T + 0 0 26 -10,-0.3 2,-0.1 40,-0.0 -9,-0.1 0.381 63.6 123.1-128.1 -3.4 -10.0 -12.1 -2.6 69 69 A E - 0 0 26 -13,-0.1 2,-0.4 2,-0.0 -11,-0.2 -0.376 37.4-167.2 -70.8 146.6 -9.8 -8.3 -3.2 70 70 A Q E -M 57 0C 46 -13,-2.1 -13,-2.3 -2,-0.1 2,-0.5 -0.999 11.6-155.0-126.4 125.9 -12.0 -5.7 -1.6 71 71 A Y E +M 56 0C 113 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.913 18.0 174.3-105.4 124.3 -11.8 -2.2 -3.2 72 72 A V E -M 55 0C 5 -17,-2.6 -17,-3.1 -2,-0.5 -2,-0.0 -0.994 26.9-124.9-138.1 132.4 -12.7 0.8 -1.0 73 73 A G E -M 54 0C 32 -2,-0.4 27,-2.5 -19,-0.2 2,-0.6 -0.324 27.8-114.3 -74.0 153.4 -12.5 4.5 -1.5 74 74 A V E -N 99 0C 29 -21,-2.1 -21,-0.3 25,-0.2 25,-0.2 -0.836 33.9-179.9 -83.7 118.7 -10.7 6.8 0.9 75 75 A Q E + 0 0 109 23,-2.7 2,-0.3 -2,-0.6 24,-0.2 0.721 63.4 11.0 -93.1 -31.9 -13.3 9.0 2.5 76 76 A K E -N 98 0C 87 22,-1.7 22,-2.9 2,-0.0 2,-0.5 -0.990 60.1-153.4-150.1 144.3 -11.2 11.1 4.8 77 77 A I E -N 97 0C 63 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.972 6.1-173.6-122.7 126.1 -7.5 11.7 5.5 78 78 A V E -N 96 0C 30 18,-3.0 18,-2.9 -2,-0.5 2,-0.3 -0.936 10.8-167.9-119.3 104.5 -6.0 12.8 8.8 79 79 A V E -N 95 0C 48 -2,-0.6 16,-0.2 16,-0.2 14,-0.1 -0.644 39.6 -90.8 -87.9 147.6 -2.3 13.5 8.4 80 80 A H > - 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