==== 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 20-AUG-07 2Z7F . COMPND 2 MOLECULE: LEUKOCYTE ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.TAKIMOTO-KAMIMURA,K.FUKUSHIMA . 268 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 58.6 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 . 88 32.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 3.7 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 1 0 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 4 5 2 2 0 0 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 . 1 0 0 0 0 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 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 I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 117.9 25.7 107.7 18.5 2 17 E V B +A 167 0A 25 165,-3.1 165,-2.1 1,-0.2 129,-0.1 -0.828 360.0 4.3 -94.2 127.3 24.7 109.0 22.0 3 18 E G S S+ 0 0 34 127,-0.6 -1,-0.2 -2,-0.5 165,-0.1 0.656 102.2 112.3 80.5 16.0 27.5 110.0 24.4 4 19 E G - 0 0 28 -3,-0.4 2,-0.3 163,-0.1 139,-0.2 0.063 59.9-110.6 -97.6-150.1 30.4 109.5 21.9 5 20 E R E -B 142 0B 114 137,-2.6 137,-2.6 -3,-0.1 2,-0.2 -0.955 33.7 -83.2-144.9 160.1 32.8 111.9 20.2 6 21 E R E -B 141 0B 189 -2,-0.3 135,-0.2 135,-0.2 2,-0.2 -0.462 42.7-128.5 -64.4 134.5 33.6 113.3 16.7 7 22 E A - 0 0 5 133,-2.8 3,-0.1 -2,-0.2 -1,-0.1 -0.498 29.1-104.4 -69.6 150.6 35.8 111.1 14.5 8 23 E R > - 0 0 204 -2,-0.2 3,-2.3 1,-0.1 4,-0.3 -0.560 59.6 -78.0 -68.6 144.3 38.8 112.7 12.9 9 24 E P T 3 S- 0 0 84 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.225 114.2 -3.6 -52.0 126.5 38.0 113.3 9.2 10 25 E H T 3 S+ 0 0 42 47,-0.2 48,-0.1 2,-0.1 -2,-0.0 0.680 85.0 140.5 64.4 23.3 38.3 109.9 7.3 11 26 E A S < S+ 0 0 38 -3,-2.3 -1,-0.1 1,-0.3 92,-0.0 0.801 77.8 37.0 -61.8 -27.4 39.6 108.1 10.4 12 27 E W S > S+ 0 0 70 -4,-0.3 3,-2.5 1,-0.1 -1,-0.3 -0.743 71.4 179.0-130.2 76.4 37.5 105.1 9.3 13 28 E P T 3 S+ 0 0 21 0, 0.0 92,-1.6 0, 0.0 43,-0.3 0.521 77.9 62.3 -66.4 -5.7 37.8 105.0 5.5 14 29 E F T 3 S+ 0 0 24 90,-0.2 16,-2.4 92,-0.1 2,-0.3 0.471 77.8 115.2 -91.2 -5.2 35.6 101.8 5.2 15 30 E M E < -J 29 0C 6 -3,-2.5 41,-0.5 14,-0.2 42,-0.4 -0.505 48.8-168.4 -74.1 129.3 32.6 103.7 6.8 16 31 E V E -JK 28 55C 1 12,-2.4 12,-1.5 -2,-0.3 2,-0.5 -0.896 18.2-147.9-124.2 143.8 29.7 104.1 4.4 17 32 E S E -JK 27 54C 0 37,-2.3 37,-2.9 -2,-0.3 2,-0.5 -0.962 11.4-153.2-110.0 121.4 26.5 106.1 4.3 18 33 E L E -JK 26 53C 0 8,-3.3 7,-2.9 -2,-0.5 8,-1.3 -0.838 23.8-169.6 -91.6 128.8 23.4 104.6 2.6 19 34 E Q E -JK 24 52C 16 33,-2.9 33,-2.9 -2,-0.5 2,-0.4 -0.936 23.9-166.3-129.5 144.4 21.1 107.3 1.3 20 35 E L E > S-J 23 0C 46 3,-2.4 3,-2.1 -2,-0.4 31,-0.1 -0.996 86.0 -6.1-123.2 134.4 17.7 107.8 -0.1 21 36 E R T 3 S- 0 0 243 29,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.857 133.1 -55.6 48.5 40.2 16.7 111.1 -1.8 22 38 E G T 3 S+ 0 0 59 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.575 115.6 115.1 71.3 13.1 20.0 112.5 -0.6 23 39 E G E < -J 20 0C 32 -3,-2.1 -3,-2.4 0, 0.0 -1,-0.2 -0.956 68.9-116.8-118.5 131.2 19.4 111.6 3.0 24 40 E H E +J 19 0C 24 -2,-0.4 -5,-0.3 -5,-0.2 3,-0.1 -0.352 39.1 160.1 -57.1 131.3 21.3 109.2 5.2 25 41 E F E + 0 0 24 -7,-2.9 211,-0.4 1,-0.4 2,-0.3 0.521 62.9 6.0-126.0 -18.1 19.2 106.3 6.4 26 42 E a E -J 18 0C 0 -8,-1.3 -8,-3.3 209,-0.1 -1,-0.4 -0.984 63.8-120.9-159.7 154.6 21.7 103.6 7.4 27 43 E G E +J 17 0C 0 146,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.406 29.2 178.4 -85.5 172.1 25.4 102.9 7.8 28 44 E A E -J 16 0C 0 -12,-1.5 -12,-2.4 10,-0.1 2,-0.4 -0.950 22.9-121.0-162.1 174.1 27.4 100.3 5.9 29 45 E T E -JL 15 37C 0 8,-2.2 8,-2.3 -2,-0.3 2,-0.6 -0.994 19.7-127.1-130.6 132.1 31.0 99.0 5.6 30 46 E L E + L 0 36C 1 -16,-2.4 77,-3.0 -2,-0.4 6,-0.2 -0.681 33.8 167.3 -77.2 119.8 33.1 98.7 2.5 31 47 E I E + 0 0 7 4,-2.3 5,-0.2 -2,-0.6 -1,-0.2 0.492 68.0 3.7-116.3 -9.8 34.3 95.1 2.3 32 48 E A E > S- L 0 35C 10 3,-1.4 3,-1.3 73,-0.1 -1,-0.4 -0.924 88.1 -93.5-158.2 166.8 35.7 95.1 -1.3 33 49 E P T 3 S+ 0 0 48 0, 0.0 65,-2.9 0, 0.0 63,-0.1 0.824 128.0 29.3 -56.8 -25.5 36.0 97.9 -3.9 34 50 E N T 3 S+ 0 0 44 63,-0.2 60,-2.7 183,-0.1 2,-0.4 0.106 113.8 68.6-122.3 20.8 32.6 96.8 -5.3 35 51 E F E < -LM 32 93C 13 -3,-1.3 -4,-2.3 58,-0.2 -3,-1.4 -0.992 49.1-177.2-140.6 136.0 30.8 95.4 -2.2 36 52 E V E -LM 30 92C 0 56,-2.6 56,-2.9 -2,-0.4 2,-0.4 -0.886 14.3-146.2-117.4 160.5 29.3 96.8 1.0 37 53 E M E +LM 29 91C 0 -8,-2.3 -8,-2.2 -2,-0.3 2,-0.2 -0.974 27.7 150.4-124.4 142.4 27.7 95.1 3.9 38 54 E S E - M 0 90C 0 52,-2.5 52,-2.4 -2,-0.4 2,-0.4 -0.747 51.7 -60.4-145.2-169.3 24.9 96.5 6.0 39 55 E A >> - 0 0 0 -12,-0.4 3,-1.3 50,-0.2 4,-0.7 -0.740 38.7-135.3 -83.5 136.6 21.9 95.3 8.1 40 56 E A H >> S+ 0 0 0 -2,-0.4 4,-1.3 1,-0.3 3,-0.9 0.862 104.2 62.6 -58.9 -36.3 19.3 93.4 6.2 41 57 E H H 34 S+ 0 0 4 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.762 92.5 66.5 -65.4 -20.3 16.6 95.4 7.9 42 58 E a H <4 S+ 0 0 0 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.8 23.4 -63.2 -39.4 18.0 98.6 6.3 43 59 E V H X< S+ 0 0 4 -3,-0.9 3,-1.0 -4,-0.7 -1,-0.2 0.464 96.1 94.8-110.1 -2.2 17.1 97.6 2.8 44 60 E A T 3< S+ 0 0 40 -4,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.827 100.2 25.1 -62.0 -35.9 14.3 95.1 3.4 45 61 E N T 3 S+ 0 0 72 -4,-0.5 2,-0.3 -3,-0.1 -1,-0.3 -0.025 107.1 83.0-126.3 27.6 11.5 97.7 2.9 46 62 E V S < S- 0 0 32 -3,-1.0 2,-1.0 193,-0.1 3,-0.1 -0.843 91.1 -92.4-119.5 163.9 13.1 100.4 0.8 47 62AE N >> - 0 0 103 -2,-0.3 3,-2.4 1,-0.2 4,-0.5 -0.676 32.4-160.5 -76.4 105.3 13.5 100.5 -3.0 48 62BE V G >4 S+ 0 0 37 -2,-1.0 3,-1.1 1,-0.3 24,-0.5 0.838 89.7 63.0 -58.5 -32.0 16.9 99.0 -3.5 49 63 E R G 34 S+ 0 0 229 1,-0.2 -1,-0.3 22,-0.1 -2,-0.1 0.564 103.3 49.6 -64.9 -12.9 17.0 100.6 -7.0 50 64 E A G <4 S+ 0 0 33 -3,-2.4 -29,-0.4 21,-0.1 -1,-0.2 0.492 84.5 113.3-104.8 -8.3 16.8 104.1 -5.3 51 65 E V << - 0 0 2 -3,-1.1 21,-0.6 -4,-0.5 2,-0.5 -0.461 50.4-156.6 -75.8 132.4 19.6 103.5 -2.7 52 65AE R E -KN 19 71C 131 -33,-2.9 -33,-2.9 -2,-0.2 2,-0.7 -0.943 6.7-147.6-107.8 131.0 22.8 105.6 -3.1 53 66 E V E -KN 18 70C 0 17,-3.3 17,-2.1 -2,-0.5 2,-0.6 -0.871 15.0-161.5-100.5 111.0 26.0 104.2 -1.5 54 67 E V E -KN 17 69C 3 -37,-2.9 -37,-2.3 -2,-0.7 3,-0.3 -0.847 9.3-176.6-106.4 114.0 28.2 107.1 -0.3 55 68 E L E +KN 16 68C 2 13,-3.3 13,-2.1 -2,-0.6 -39,-0.1 -0.738 62.6 27.4-104.4 153.4 31.9 106.4 0.3 56 69 E G S S+ 0 0 3 -41,-0.5 -1,-0.2 47,-0.3 2,-0.1 0.624 83.8 147.6 74.5 18.3 34.5 108.8 1.7 57 70 E A + 0 0 8 -42,-0.4 -47,-0.2 -3,-0.3 -1,-0.2 -0.458 18.8 156.7 -86.1 154.1 32.1 110.9 3.7 58 71 E H S S+ 0 0 18 1,-0.2 82,-1.8 -2,-0.1 2,-0.7 0.467 71.6 34.3-133.0 -58.2 32.6 112.7 7.0 59 72 E N B > -P 139 0D 26 80,-0.2 3,-1.6 1,-0.1 80,-0.2 -0.927 62.2-164.0-107.2 108.7 30.2 115.6 7.4 60 73 E L T 3 S+ 0 0 41 78,-2.6 -1,-0.1 -2,-0.7 79,-0.1 0.648 87.1 61.0 -67.4 -14.5 26.8 114.7 5.9 61 74 E S T 3 S+ 0 0 90 77,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.417 99.3 67.6 -91.4 -3.1 25.8 118.4 6.0 62 75 E R S < S- 0 0 165 -3,-1.6 2,-0.5 76,-0.1 -4,-0.1 -0.862 87.1-110.5-117.7 152.2 28.6 119.6 3.7 63 76 E R - 0 0 238 -2,-0.3 -2,-0.1 2,-0.0 -3,-0.0 -0.701 41.9-164.4 -72.3 127.1 29.5 119.0 0.1 64 77 E E > - 0 0 32 -2,-0.5 3,-1.4 1,-0.1 -2,-0.0 -0.969 24.5-161.4-126.2 120.8 32.6 116.8 0.2 65 78 E P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.739 89.1 71.4 -68.3 -22.4 35.0 116.3 -2.7 66 79 E T T 3 S+ 0 0 39 -10,-0.1 2,-0.1 2,-0.0 37,-0.1 0.540 79.4 109.4 -69.3 -9.6 36.3 113.1 -1.0 67 80 E R < - 0 0 58 -3,-1.4 2,-0.4 -13,-0.0 -11,-0.2 -0.410 47.3-168.5 -78.5 145.4 33.0 111.3 -1.8 68 81 E Q E -N 55 0C 33 -13,-2.1 -13,-3.3 -2,-0.1 2,-0.4 -0.999 13.5-157.4-126.5 133.0 32.5 108.5 -4.2 69 82 E V E +N 54 0C 85 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.946 14.7 171.2-121.2 131.0 28.8 107.5 -5.0 70 83 E F E -N 53 0C 32 -17,-2.1 -17,-3.3 -2,-0.4 2,-0.2 -0.838 24.6-130.4-129.2 162.3 27.5 104.2 -6.3 71 84 E A E -N 52 0C 37 -2,-0.3 24,-2.1 -19,-0.2 2,-0.5 -0.666 36.4 -99.1-102.3 166.6 24.2 102.5 -6.9 72 85 E V E +O 94 0C 19 -21,-0.6 22,-0.2 -24,-0.5 3,-0.1 -0.793 37.1 175.4 -87.6 128.5 23.3 98.9 -5.8 73 86 E Q E + 0 0 122 20,-3.4 2,-0.3 -2,-0.5 21,-0.2 0.808 65.3 11.5 -97.5 -42.5 23.6 96.3 -8.6 74 87 E R E -O 93 0C 151 19,-1.3 19,-2.4 2,-0.0 2,-0.4 -0.980 61.7-145.1-142.9 151.0 22.9 93.1 -6.7 75 88 E I E -O 92 0C 84 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.947 11.2-173.7-122.2 138.7 21.6 91.9 -3.3 76 89 E F E +O 91 0C 56 15,-2.3 15,-2.2 -2,-0.4 2,-0.3 -0.998 7.7 171.8-132.3 130.9 22.6 88.9 -1.2 77 90 E E E -O 90 0C 78 -2,-0.4 2,-0.2 13,-0.2 13,-0.1 -0.976 20.8-153.9-141.1 153.1 21.0 87.7 2.1 78 91 E N S S- 0 0 69 11,-0.6 134,-0.0 9,-0.3 12,-0.0 -0.541 75.0 -41.9-131.1 61.3 21.5 84.6 4.2 79 92 E G - 0 0 53 1,-0.2 7,-0.1 -2,-0.2 2,-0.1 0.797 69.6-172.3 89.5 31.1 18.4 83.8 6.1 80 94 E Y - 0 0 40 9,-0.2 7,-0.2 1,-0.1 -1,-0.2 -0.340 6.6-161.2 -56.4 127.6 17.2 87.2 7.4 81 95 E D B >> -Q 86 0E 47 5,-2.4 5,-1.3 1,-0.1 4,-1.2 -0.941 6.0-170.9-115.6 102.5 14.3 86.9 9.8 82 98 E P T 45S+ 0 0 74 0, 0.0 176,-0.2 0, 0.0 177,-0.2 0.750 81.3 60.1 -70.1 -24.2 12.5 90.3 10.1 83 99 E V T 45S+ 0 0 105 1,-0.2 175,-0.4 175,-0.1 176,-0.0 0.925 124.9 16.9 -65.9 -42.4 10.3 89.2 13.0 84 99AE N T 45S- 0 0 68 -3,-0.2 -1,-0.2 2,-0.1 -4,-0.0 0.338 100.2-121.9-113.0 1.0 13.3 88.5 15.3 85 99BE L T <5 + 0 0 1 -4,-1.2 3,-0.4 1,-0.2 2,-0.3 0.948 54.4 159.7 47.7 54.6 16.1 90.3 13.5 86 100 E L B < +Q 81 0E 49 -5,-1.3 -5,-2.4 1,-0.2 -1,-0.2 -0.814 62.9 13.2 -98.8 150.1 18.1 87.1 13.1 87 101 E N S S+ 0 0 62 -2,-0.3 2,-2.0 68,-0.3 -9,-0.3 0.930 79.9 179.3 50.0 51.6 20.9 87.0 10.4 88 102 E D + 0 0 3 -3,-0.4 2,-0.3 -8,-0.1 116,-0.2 -0.454 35.0 112.2 -88.7 69.2 20.5 90.8 10.1 89 103 E I - 0 0 0 -2,-2.0 -11,-0.6 -50,-0.3 2,-0.4 -0.996 39.8-177.2-145.6 138.2 23.1 91.1 7.4 90 104 E V E -MO 38 77C 0 -52,-2.4 -52,-2.5 -2,-0.3 2,-0.5 -0.997 15.4-149.2-137.1 140.0 23.0 92.1 3.7 91 105 E I E -MO 37 76C 0 -15,-2.2 -15,-2.3 -2,-0.4 2,-0.5 -0.956 14.4-164.2-107.5 132.6 25.7 92.3 1.1 92 106 E L E -MO 36 75C 0 -56,-2.9 -56,-2.6 -2,-0.5 2,-0.4 -0.978 9.1-148.0-119.2 113.2 25.2 94.9 -1.6 93 107 E Q E -MO 35 74C 44 -19,-2.4 -20,-3.4 -2,-0.5 -19,-1.3 -0.706 23.1-130.3 -77.9 135.9 27.2 94.7 -4.8 94 108 E L E - 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