==== 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-OCT-91 1PPG . COMPND 2 MOLECULE: HUMAN LEUKOCYTE ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.BODE,A-Z.WEI . 222 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 63.5 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 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 1 0.5 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 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 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 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 4 4 3 1 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 . 0 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,-0.3 0.000 360.0 360.0 360.0 117.3 -11.4 33.8 9.3 2 17 E V B -A 167 0A 9 165,-2.7 165,-1.6 1,-0.2 129,-0.1 -0.835 360.0 -2.5 -82.8 125.7 -10.4 36.7 11.5 3 18 E G S S+ 0 0 34 -2,-0.5 -1,-0.2 127,-0.5 2,-0.1 0.695 99.0 122.8 70.1 23.1 -12.6 37.3 14.6 4 19 E G - 0 0 25 -3,-0.3 2,-0.3 163,-0.1 139,-0.2 -0.024 57.3-115.7 -94.7-173.5 -15.2 34.6 13.8 5 20 E R E -B 142 0B 117 137,-2.4 137,-2.4 -3,-0.1 2,-0.2 -0.915 33.3 -79.2-130.6 161.7 -16.1 31.8 16.3 6 21 E R E -B 141 0B 177 -2,-0.3 135,-0.2 135,-0.2 134,-0.1 -0.470 46.9-131.9 -58.8 116.9 -15.8 28.1 16.4 7 22 E A - 0 0 5 133,-2.9 -1,-0.1 -2,-0.2 3,-0.1 -0.363 28.5 -98.9 -66.9 166.5 -18.5 26.4 14.3 8 23 E R > - 0 0 174 1,-0.1 3,-2.0 -2,-0.1 4,-0.4 -0.652 58.0 -83.1 -84.8 136.7 -20.5 23.4 16.0 9 24 E P T 3 S- 0 0 64 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.324 110.3 -8.4 -45.3 129.0 -19.0 20.1 14.8 10 25 E H T 3 S+ 0 0 44 47,-0.3 48,-0.1 2,-0.2 94,-0.0 0.704 88.7 136.7 54.2 22.8 -20.5 19.2 11.4 11 26 E A S < S+ 0 0 16 -3,-2.0 -1,-0.1 1,-0.3 92,-0.0 0.835 81.2 36.4 -69.4 -20.0 -22.9 22.1 11.8 12 27 E W S > S+ 0 0 69 -4,-0.4 3,-1.9 1,-0.1 -1,-0.3 -0.578 72.1 175.6-134.7 88.5 -22.0 22.6 8.1 13 28 E P T 3 S+ 0 0 21 0, 0.0 92,-1.3 0, 0.0 43,-0.3 0.378 72.7 65.2 -87.3 22.8 -21.6 19.3 6.4 14 29 E F T 3 S+ 0 0 28 90,-0.2 16,-2.6 92,-0.1 2,-0.4 0.409 75.2 116.1-109.5 3.5 -21.0 20.6 2.9 15 30 E M E < -J 29 0C 8 -3,-1.9 42,-0.4 14,-0.2 41,-0.4 -0.562 48.1-167.9 -82.0 119.6 -17.8 22.2 4.0 16 31 E V E -J 28 0C 1 12,-3.6 12,-1.6 -2,-0.4 2,-0.5 -0.806 14.2-149.7-108.4 158.6 -14.6 20.8 2.3 17 32 E S E -JK 27 54C 0 37,-1.4 37,-1.9 -2,-0.3 2,-0.3 -0.959 10.2-151.8-122.8 111.8 -10.9 21.2 3.1 18 33 E L E -JK 26 53C 0 8,-2.6 7,-2.4 -2,-0.5 8,-1.0 -0.661 25.9-174.9 -88.8 130.5 -8.4 21.0 0.1 19 34 E Q E -JK 24 52C 39 33,-2.8 33,-3.7 -2,-0.3 2,-0.3 -0.982 22.8-162.3-137.8 144.6 -5.1 19.7 1.3 20 35 E L E > -J 23 0C 45 3,-2.0 3,-1.0 -2,-0.3 31,-0.1 -0.742 59.0 -71.0-117.6 156.8 -1.5 19.0 0.1 21 36 E R T 3 S+ 0 0 250 -2,-0.3 3,-0.1 1,-0.3 30,-0.0 0.652 135.5 36.5 -16.7 -48.6 1.1 16.8 1.8 22 38 E G T 3 S- 0 0 84 1,-0.2 2,-0.3 2,-0.0 -1,-0.3 0.813 120.4 -82.2 -82.5 -40.4 1.6 19.4 4.7 23 39 E G E < -J 20 0C 30 -3,-1.0 -3,-2.0 0, 0.0 -1,-0.2 -0.998 67.2 -5.4 167.3-161.2 -2.0 20.7 5.1 24 40 E H E +J 19 0C 20 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.324 39.3 163.7 -64.8 131.8 -5.1 22.8 4.2 25 41 E F E - 0 0 49 -7,-2.4 148,-0.3 1,-0.6 2,-0.3 0.658 66.5 -4.8-119.6 -20.9 -4.6 25.4 1.6 26 42 E a E -J 18 0C 5 -8,-1.0 -8,-2.6 146,-0.1 -1,-0.6 -0.934 64.4-119.7-164.8 164.8 -8.2 26.3 0.6 27 43 E G E -J 17 0C 0 146,-2.2 12,-0.4 -2,-0.3 2,-0.3 -0.501 26.7-175.9-103.8 168.3 -11.8 25.3 1.4 28 44 E A E -J 16 0C 0 -12,-1.6 -12,-3.6 -2,-0.2 2,-0.4 -0.940 21.1-109.7-156.3 177.9 -14.5 24.0 -1.0 29 45 E T E -JL 15 37C 0 8,-2.5 8,-0.9 -2,-0.3 2,-0.6 -0.975 17.4-130.4-123.7 132.2 -18.1 22.9 -1.2 30 46 E L E + L 0 36C 1 -16,-2.6 77,-3.5 -2,-0.4 6,-0.2 -0.567 36.9 162.7 -75.5 101.2 -19.8 19.5 -1.7 31 47 E I E + 0 0 6 4,-1.5 5,-0.2 -2,-0.6 -1,-0.2 0.442 69.1 2.4-102.9 -10.5 -22.2 20.3 -4.5 32 48 E A E > S- L 0 35C 7 3,-1.1 3,-0.9 73,-0.1 -1,-0.4 -0.908 89.4 -93.0-166.0 166.3 -22.9 16.7 -5.5 33 49 E P T 3 S+ 0 0 43 0, 0.0 65,-3.2 0, 0.0 63,-0.1 0.675 125.3 28.0 -71.0 -10.2 -21.6 13.4 -4.0 34 50 E N T 3 S+ 0 0 41 63,-0.2 60,-2.6 183,-0.1 2,-0.3 0.039 113.1 71.7-138.4 19.3 -18.7 13.3 -6.5 35 51 E F E < -LM 32 93C 16 -3,-0.9 -4,-1.5 58,-0.2 -3,-1.1 -0.985 52.0-169.4-139.4 148.0 -18.1 16.9 -7.2 36 52 E V E -LM 30 92C 0 56,-1.5 56,-2.9 -2,-0.3 2,-0.4 -0.762 12.1-147.2-138.7 149.2 -16.7 20.0 -5.3 37 53 E M E +LM 29 91C 0 -8,-0.9 -8,-2.5 -2,-0.3 54,-0.2 -0.983 31.5 148.4-121.6 124.9 -16.7 23.6 -6.1 38 54 E S E - M 0 90C 0 52,-2.8 52,-2.7 -2,-0.4 2,-0.4 -0.614 50.9 -64.3-145.6-163.6 -13.9 25.9 -5.1 39 55 E A > - 0 0 0 -12,-0.4 3,-1.5 50,-0.3 4,-0.5 -0.806 37.1-137.4 -99.5 128.4 -11.9 29.0 -6.1 40 56 E A G >> S+ 0 0 3 -2,-0.4 3,-1.4 1,-0.3 4,-0.8 0.800 102.1 61.9 -58.3 -35.1 -10.0 28.7 -9.4 41 57 E H G 34 S+ 0 0 34 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.694 91.7 69.0 -65.3 -26.3 -7.0 30.4 -8.0 42 58 E a G <4 S+ 0 0 9 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.784 112.8 27.0 -65.5 -24.3 -6.7 27.7 -5.4 43 59 E V T X4 S+ 0 0 13 -3,-1.4 3,-1.0 -4,-0.5 2,-0.6 0.386 88.6 108.4-121.4 4.9 -5.7 25.1 -8.0 44 60 E A T 3< S+ 0 0 46 -4,-0.8 3,-0.1 1,-0.3 0, 0.0 -0.751 97.7 12.9 -81.5 109.9 -4.2 27.3 -10.6 45 61 E N T 3 S+ 0 0 176 -2,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.418 103.6 115.2 84.0 17.7 -0.6 26.3 -10.1 46 62 E V S < S- 0 0 43 -3,-1.0 2,-1.2 3,-0.0 -1,-0.3 -0.709 75.4-115.3-109.7 151.0 -1.1 23.3 -7.9 47 63 E N > - 0 0 83 -2,-0.3 3,-1.3 1,-0.2 4,-0.1 -0.793 32.6-169.2 -74.3 88.1 -0.3 19.7 -8.7 48 63AE V G > S+ 0 0 18 -2,-1.2 3,-1.3 1,-0.2 24,-0.5 0.773 81.0 69.3 -60.9 -11.8 -4.0 18.6 -8.7 49 63BE R G 3 S+ 0 0 190 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.821 103.6 45.6 -82.3 -0.6 -2.8 15.0 -8.7 50 63CE A G < S+ 0 0 30 -3,-1.3 2,-0.4 21,-0.1 -1,-0.3 0.369 87.9 111.0-109.2 -13.8 -1.5 15.7 -5.2 51 64 E V < - 0 0 2 -3,-1.3 21,-0.5 21,-0.1 2,-0.4 -0.681 51.5-155.3 -76.1 143.1 -4.5 17.4 -3.8 52 65 E R E -K 19 0C 147 -33,-3.7 -33,-2.8 -2,-0.4 2,-0.6 -0.913 3.4-154.3-110.9 139.2 -6.6 15.8 -1.2 53 66 E V E -KN 18 70C 0 17,-1.5 17,-2.1 -2,-0.4 2,-0.7 -0.931 13.3-162.0-115.2 106.1 -10.3 16.7 -0.6 54 67 E V E -KN 17 69C 2 -37,-1.9 -37,-1.4 -2,-0.6 3,-0.4 -0.914 6.1-168.8-100.8 115.9 -11.3 15.9 2.9 55 68 E L E + N 0 68C 2 13,-3.9 13,-1.5 -2,-0.7 -39,-0.1 -0.589 67.7 28.7-100.7 154.8 -15.1 15.6 3.6 56 69 E G S S+ 0 0 3 -41,-0.4 -1,-0.2 -43,-0.3 10,-0.1 0.673 84.4 151.5 69.5 33.2 -16.6 15.5 7.1 57 70 E A + 0 0 11 -42,-0.4 -47,-0.3 -3,-0.4 -1,-0.2 -0.391 15.5 149.7 -92.3 151.3 -13.8 17.5 8.7 58 71 E H S S+ 0 0 19 1,-0.1 82,-1.7 -2,-0.1 2,-0.8 0.312 73.9 29.3-137.0 -64.8 -14.1 19.7 11.7 59 72 E N B > -P 139 0D 16 80,-0.2 3,-1.4 1,-0.2 80,-0.3 -0.914 67.0-171.2-107.2 93.2 -10.8 19.9 13.9 60 73 E L T 3 S+ 0 0 30 78,-3.0 -1,-0.2 -2,-0.8 79,-0.1 0.662 81.6 61.7 -64.6 -25.6 -8.2 19.4 11.3 61 74 E S T 3 S+ 0 0 79 77,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.748 102.0 68.4 -77.3 -9.9 -5.5 19.1 13.7 62 75 E R S < S- 0 0 157 -3,-1.4 2,-0.5 76,-0.2 -4,-0.1 -0.455 88.5-108.5 -94.6 175.2 -7.3 16.0 15.1 63 76 E R - 0 0 213 -2,-0.1 3,-0.1 3,-0.0 -2,-0.1 -0.849 37.5-175.2-100.9 115.7 -7.9 12.5 13.8 64 77 E E > - 0 0 31 -2,-0.5 3,-2.0 1,-0.1 -6,-0.0 -0.903 27.3-160.5-123.4 117.5 -11.6 12.1 12.9 65 78 E P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.659 91.8 76.9 -47.6 -32.0 -13.2 8.7 11.7 66 79 E T T 3 S+ 0 0 40 -10,-0.1 2,-0.1 -3,-0.1 37,-0.1 0.538 78.0 102.9 -46.9 -32.1 -15.9 11.0 10.4 67 80 E R < - 0 0 64 -3,-2.0 2,-0.4 -13,-0.0 -11,-0.2 -0.400 51.6-165.0 -80.6 146.6 -13.6 12.0 7.4 68 81 E Q E -N 55 0C 32 -13,-1.5 -13,-3.9 -2,-0.1 2,-0.5 -1.000 11.4-155.8-131.9 124.7 -13.7 10.8 3.8 69 82 E V E +N 54 0C 74 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.859 17.5 168.2-108.7 118.3 -10.7 11.5 1.5 70 83 E F E -N 53 0C 32 -17,-2.1 -17,-1.5 -2,-0.5 2,-0.3 -0.780 25.1-133.8-119.7-172.6 -10.8 11.7 -2.2 71 84 E A - 0 0 37 -2,-0.3 24,-1.6 -19,-0.2 2,-0.7 -0.775 32.5-104.2-135.8 158.6 -8.6 12.8 -5.1 72 85 E V E -O 94 0C 15 -24,-0.5 22,-0.3 -21,-0.5 -21,-0.1 -0.904 27.7-174.9 -91.0 129.1 -9.6 15.0 -8.0 73 86 E Q E - 0 0 123 20,-2.8 2,-0.3 -2,-0.7 21,-0.2 0.634 69.2 -8.3 -84.4 -32.0 -10.1 13.1 -11.2 74 87 E R E -O 93 0C 138 19,-1.0 19,-2.2 -26,-0.1 2,-0.3 -0.981 60.1-135.5-164.0 160.2 -10.7 16.2 -13.4 75 88 E I E -O 92 0C 75 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.992 7.9-159.7-130.4 142.8 -11.2 20.1 -13.2 76 89 E F E -O 91 0C 50 15,-2.3 15,-2.2 -2,-0.3 2,-0.2 -0.948 14.8-174.5-126.2 117.5 -13.8 22.2 -15.0 77 90 E E E -O 90 0C 108 -2,-0.5 13,-0.1 13,-0.2 11,-0.1 -0.651 20.0-153.2-113.7 158.1 -13.0 25.9 -15.2 78 92 E N - 0 0 56 11,-0.6 12,-0.0 9,-0.3 134,-0.0 -0.386 68.9 -61.8-132.8 53.4 -15.1 28.6 -16.6 79 93 E G - 0 0 35 1,-0.1 7,-0.1 9,-0.0 9,-0.1 0.929 60.6-161.1 69.9 58.4 -12.7 31.3 -17.8 80 94 E Y - 0 0 42 9,-0.1 7,-0.2 1,-0.1 8,-0.1 -0.342 3.4-155.7 -58.7 139.3 -10.8 32.4 -14.6 81 95 E D B >> -Q 86 0E 43 5,-2.8 5,-1.7 1,-0.1 4,-1.5 -0.902 9.0-172.8-119.7 95.7 -9.1 35.7 -15.2 82 96 E P T 45S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.670 80.3 53.2 -67.4 -20.9 -6.2 35.8 -12.7 83 97 E V T 45S+ 0 0 126 1,-0.2 -3,-0.0 3,-0.1 -2,-0.0 0.845 123.1 26.3 -91.7 -27.4 -5.3 39.4 -13.4 84 98 E N T 45S- 0 0 79 -3,-0.1 -1,-0.2 2,-0.1 -4,-0.0 0.478 104.4-125.3 -98.4 -7.3 -8.7 40.8 -12.9 85 99 E L T <5 + 0 0 13 -4,-1.5 3,-0.4 1,-0.2 2,-0.3 0.900 55.3 159.0 59.4 52.2 -9.7 37.9 -10.5 86 100 E L B < +Q 81 0E 51 -5,-1.7 -5,-2.8 1,-0.2 -1,-0.2 -0.820 55.9 8.4-107.4 147.0 -12.8 37.3 -12.6 87 101 E N S S+ 0 0 59 -2,-0.3 2,-1.7 68,-0.3 -9,-0.3 0.883 70.4 179.9 51.1 52.3 -14.6 34.0 -12.6 88 102 E D + 0 0 3 -3,-0.4 2,-0.4 -8,-0.1 116,-0.3 -0.513 39.1 116.0 -85.2 65.8 -12.7 32.6 -9.6 89 103 E I + 0 0 0 -2,-1.7 -11,-0.6 -50,-0.3 2,-0.3 -1.000 35.8 173.1-128.7 138.6 -14.6 29.3 -9.7 90 104 E V E -MO 38 77C 3 -52,-2.7 -52,-2.8 -2,-0.4 2,-0.3 -0.997 20.3-144.5-138.5 158.5 -13.7 25.8 -10.3 91 105 E I E -MO 37 76C 0 -15,-2.2 -15,-2.3 -2,-0.3 2,-0.5 -0.739 13.2-160.2-114.7 140.8 -15.4 22.4 -10.2 92 106 E L E -MO 36 75C 0 -56,-2.9 -56,-1.5 -2,-0.3 2,-0.4 -0.989 7.7-149.7-125.5 103.6 -13.4 19.2 -9.1 93 107 E Q E -MO 35 74C 28 -19,-2.2 -20,-2.8 -2,-0.5 -19,-1.0 -0.667 21.3-134.7 -87.2 130.9 -14.7 15.9 -9.9 94 108 E L E - 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