==== 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 10-APR-89 1HNE . COMPND 2 MOLECULE: HUMAN LEUCOCYTE ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.A.NAVIA,B.M.MCKEEVER,J.P.SPRINGER,T.-Y.LIN,H.R.WILLIAMS,E. . 222 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 62.2 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 . 81 36.5 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 . 5 2.3 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 . 2 0.9 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 . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.6 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 2 4 5 2 1 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 0 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.6 39.7 7.1 65.3 2 17 E V B +A 167 0A 19 165,-3.3 165,-1.7 1,-0.2 129,-0.1 -0.871 360.0 3.7-103.5 129.6 37.5 9.4 67.5 3 18 E G S S+ 0 0 32 127,-0.5 -1,-0.2 -2,-0.5 128,-0.1 0.669 100.1 120.5 75.1 23.2 35.5 7.9 70.4 4 19 E G - 0 0 30 -3,-0.3 2,-0.3 163,-0.1 139,-0.2 0.114 56.2-112.5 -99.6-161.2 36.9 4.3 70.1 5 20 E R E -B 142 0B 116 137,-2.2 137,-2.6 -3,-0.1 2,-0.1 -0.961 33.7 -88.8-138.2 156.1 38.9 2.0 72.4 6 21 E R E -B 141 0B 143 -2,-0.3 135,-0.3 135,-0.2 2,-0.1 -0.486 46.9-126.2 -63.2 138.2 42.4 0.5 72.5 7 22 E A - 0 0 4 133,-2.7 3,-0.1 -2,-0.1 133,-0.1 -0.467 29.6 -97.0 -80.9 154.8 42.4 -2.9 70.6 8 23 E R > - 0 0 173 1,-0.1 3,-2.4 -2,-0.1 4,-0.3 -0.563 61.4 -85.0 -68.9 140.9 43.7 -6.0 72.3 9 24 E P T 3 S- 0 0 71 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.192 109.5 -2.6 -53.4 129.0 47.4 -6.3 71.2 10 25 E H T 3 S+ 0 0 47 47,-0.2 48,-0.1 2,-0.1 -2,-0.1 0.630 87.8 136.0 60.2 24.5 47.7 -8.1 67.9 11 26 E A S < S+ 0 0 19 -3,-2.4 -1,-0.1 1,-0.3 92,-0.0 0.734 75.6 38.8 -67.6 -26.8 43.9 -8.7 67.8 12 27 E W > + 0 0 66 -4,-0.3 3,-2.6 1,-0.1 -1,-0.3 -0.680 69.6 176.8-127.6 78.7 43.9 -7.8 64.1 13 28 E P T 3 S+ 0 0 28 0, 0.0 92,-1.1 0, 0.0 43,-0.3 0.477 76.3 63.5 -67.4 -6.6 47.1 -9.2 62.5 14 29 E F T 3 S+ 0 0 28 90,-0.2 16,-2.3 92,-0.1 2,-0.2 0.499 77.5 114.5 -91.1 -5.5 46.2 -8.1 59.1 15 30 E M E < -J 29 0C 5 -3,-2.6 41,-0.6 14,-0.2 42,-0.4 -0.434 47.9-169.6 -72.3 130.6 46.4 -4.4 60.2 16 31 E V E -JK 28 55C 1 12,-2.3 12,-1.3 -2,-0.2 2,-0.5 -0.935 16.3-147.0-121.3 152.3 49.2 -2.4 58.6 17 32 E S E -JK 27 54C 0 37,-2.2 37,-2.8 -2,-0.3 2,-0.5 -0.968 9.2-152.4-116.2 128.2 50.7 1.0 59.2 18 33 E L E -JK 26 53C 0 8,-3.1 7,-2.7 -2,-0.5 8,-1.2 -0.879 23.9-175.3 -98.3 128.2 52.1 3.1 56.2 19 34 E Q E -JK 24 52C 13 33,-2.6 33,-2.7 -2,-0.5 5,-0.2 -0.902 28.5-167.0-127.6 155.3 54.9 5.4 57.4 20 35 E L S S- 0 0 65 3,-2.0 -1,-0.1 -2,-0.3 4,-0.1 0.765 91.3 -9.0-106.7 -40.6 57.1 8.2 55.9 21 36 E R S S- 0 0 221 2,-0.3 -2,-0.1 31,-0.1 3,-0.0 0.488 127.5 -54.6-110.5 -81.1 59.9 8.8 58.4 22 38 E G S S+ 0 0 52 2,-0.1 2,-0.5 30,-0.0 -3,-0.0 -0.287 114.2 117.9-155.2 29.5 58.7 6.8 61.4 23 39 E G - 0 0 33 0, 0.0 -3,-2.0 0, 0.0 -2,-0.3 -0.972 63.7-134.8-116.6 117.7 55.5 8.8 61.1 24 40 E H E +J 19 0C 20 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.402 33.1 161.6 -62.0 138.4 52.3 6.9 60.4 25 41 E F E + 0 0 44 -7,-2.7 146,-0.3 1,-0.5 2,-0.3 0.502 61.0 7.0-134.9 -18.0 50.1 8.5 57.8 26 42 E a E -J 18 0C 5 -8,-1.2 -8,-3.1 146,-0.1 -1,-0.5 -0.950 64.3-126.0-160.2 156.3 47.6 5.9 56.5 27 43 E G E -J 17 0C 0 146,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.324 24.2-177.5 -99.8-177.2 46.6 2.3 57.3 28 44 E A E -J 16 0C 0 -12,-1.3 -12,-2.3 10,-0.1 2,-0.4 -0.941 21.6-119.4-164.1 172.5 46.4 -0.7 55.0 29 45 E T E -JL 15 37C 0 8,-2.3 8,-2.5 -2,-0.3 2,-0.6 -0.989 21.0-125.2-128.2 135.1 45.4 -4.4 55.1 30 46 E L E + L 0 36C 1 -16,-2.3 77,-2.7 -2,-0.4 6,-0.2 -0.696 34.7 167.7 -79.2 124.4 47.6 -7.5 54.4 31 47 E I E + 0 0 8 4,-2.5 5,-0.2 -2,-0.6 -1,-0.1 0.528 68.1 1.3-114.1 -13.0 45.8 -9.4 51.6 32 48 E A E > S- L 0 35C 10 3,-1.4 3,-1.0 73,-0.1 -1,-0.4 -0.891 89.1 -90.6-162.3 169.4 48.6 -11.8 50.6 33 49 E P T 3 S+ 0 0 49 0, 0.0 65,-3.2 0, 0.0 63,-0.1 0.753 127.3 29.3 -63.1 -28.9 52.1 -12.3 52.0 34 50 E N T 3 S+ 0 0 45 63,-0.2 60,-2.9 183,-0.1 2,-0.3 0.086 113.0 68.9-120.2 20.4 53.5 -9.8 49.5 35 51 E F E < -LM 32 93C 13 -3,-1.0 -4,-2.5 58,-0.2 -3,-1.4 -0.993 51.0-171.5-143.3 139.8 50.6 -7.4 48.9 36 52 E V E -LM 30 92C 0 56,-2.4 56,-2.7 -2,-0.3 2,-0.4 -0.862 15.6-142.3-125.3 149.4 48.8 -4.8 51.0 37 53 E M E +LM 29 91C 0 -8,-2.5 -8,-2.3 -2,-0.3 54,-0.2 -0.958 32.1 150.0-118.1 135.8 45.6 -2.9 50.1 38 54 E S E - M 0 90C 0 52,-2.5 52,-1.9 -2,-0.4 2,-0.4 -0.684 50.5 -68.2-147.3-169.4 45.1 0.8 51.0 39 55 E A > - 0 0 0 -12,-0.4 3,-1.6 50,-0.3 4,-0.4 -0.853 36.3-133.6 -93.1 135.3 43.3 3.9 49.8 40 56 E A G >> S+ 0 0 0 -2,-0.4 3,-1.5 1,-0.3 4,-0.9 0.830 104.0 62.5 -54.6 -38.6 44.6 5.4 46.5 41 57 E H G 34 S+ 0 0 30 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.718 91.8 66.6 -65.2 -21.8 44.6 8.9 48.0 42 58 E a G <4 S+ 0 0 6 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.741 112.8 30.4 -68.0 -26.2 47.2 7.8 50.6 43 59 E V T X4 S+ 0 0 10 -3,-1.5 3,-1.1 -4,-0.4 5,-0.2 0.429 92.8 100.3-115.4 -1.5 49.8 7.3 47.9 44 60 E A T 3< S+ 0 0 45 -4,-0.9 -2,-0.1 1,-0.3 -3,-0.1 0.831 100.1 12.8 -51.7 -56.4 48.7 10.0 45.4 45 61 E N T 3 S+ 0 0 164 -4,-0.4 2,-0.3 -3,-0.1 -1,-0.3 -0.433 105.7 108.9-124.2 49.6 51.2 12.8 46.2 46 62 E V S < S- 0 0 40 -3,-1.1 2,-1.4 5,-0.0 3,-0.1 -0.895 79.1-107.8-124.2 156.4 53.6 10.8 48.3 47 62AE N > - 0 0 111 -2,-0.3 3,-2.8 1,-0.2 4,-0.4 -0.751 35.5-167.4 -85.3 89.8 57.2 9.7 47.6 48 62BE V G > S+ 0 0 24 -2,-1.4 3,-1.3 1,-0.3 24,-0.4 0.756 82.5 59.9 -47.8 -41.3 56.4 6.0 47.2 49 63 E R G 3 S+ 0 0 194 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.497 105.1 53.5 -70.1 -3.0 60.0 4.9 47.3 50 64 E A G < S+ 0 0 33 -3,-2.8 -1,-0.3 2,-0.0 2,-0.2 0.495 84.1 108.9-106.8 -8.2 60.1 6.5 50.8 51 65 E V < - 0 0 4 -3,-1.3 21,-0.5 -4,-0.4 2,-0.4 -0.528 53.7-154.8 -73.2 135.2 57.1 4.7 52.3 52 65AE R E -KN 19 71C 118 -33,-2.7 -33,-2.6 -2,-0.2 2,-0.6 -0.927 7.0-146.5-111.1 132.4 57.7 2.0 54.9 53 66 E V E -KN 18 70C 0 17,-3.7 17,-3.1 -2,-0.4 2,-0.6 -0.933 16.3-159.2-103.8 112.9 55.1 -0.8 55.3 54 67 E V E -KN 17 69C 3 -37,-2.8 -37,-2.2 -2,-0.6 3,-0.3 -0.890 10.0-175.3-101.9 114.6 54.9 -1.8 58.9 55 68 E L E +KN 16 68C 2 13,-3.4 13,-1.9 -2,-0.6 -39,-0.1 -0.767 62.4 22.7-107.2 148.4 53.4 -5.2 59.8 56 69 E G S S+ 0 0 3 -41,-0.6 2,-0.3 -43,-0.3 -1,-0.2 0.776 83.7 147.3 70.1 31.2 52.7 -6.7 63.3 57 70 E A + 0 0 10 -42,-0.4 -1,-0.2 -3,-0.3 -47,-0.2 -0.644 20.3 157.1 -97.3 154.9 52.5 -3.4 65.1 58 71 E H S S+ 0 0 21 -2,-0.3 82,-1.6 1,-0.2 2,-0.7 0.470 74.9 32.0-133.7 -62.9 50.4 -2.4 68.1 59 72 E N B > -P 139 0D 38 80,-0.2 3,-1.5 1,-0.1 80,-0.2 -0.921 64.3-164.6-107.2 105.7 52.0 0.6 69.9 60 73 E L T 3 S+ 0 0 33 78,-2.7 -1,-0.1 -2,-0.7 79,-0.1 0.633 86.1 58.9 -66.7 -19.4 53.8 2.8 67.4 61 74 E S T 3 S+ 0 0 81 77,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.519 99.2 76.1 -87.0 -8.5 55.7 4.7 70.1 62 75 E R S < S- 0 0 141 -3,-1.5 2,-0.5 76,-0.2 -4,-0.1 -0.667 86.9-113.3-106.7 157.0 57.3 1.5 71.3 63 76 E R - 0 0 179 -2,-0.3 -2,-0.1 3,-0.0 3,-0.0 -0.782 41.1-170.2 -80.1 126.9 60.1 -0.7 70.0 64 77 E E > - 0 0 31 -2,-0.5 3,-1.6 1,-0.1 -2,-0.0 -0.971 24.4-160.4-131.9 115.1 58.2 -3.9 69.1 65 78 E P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.690 89.2 71.9 -62.5 -20.4 60.1 -7.1 68.2 66 79 E T T 3 S+ 0 0 37 -10,-0.1 -9,-0.1 2,-0.0 37,-0.1 0.578 78.1 110.7 -70.0 -13.4 56.9 -8.4 66.5 67 80 E R < - 0 0 60 -3,-1.6 2,-0.4 -13,-0.0 -11,-0.2 -0.310 46.6-168.8 -72.0 152.1 57.3 -5.9 63.6 68 81 E Q E -N 55 0C 28 -13,-1.9 -13,-3.4 -2,-0.1 2,-0.5 -0.981 12.2-156.1-137.6 124.8 58.2 -6.6 60.0 69 82 E V E +N 54 0C 86 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.941 14.6 175.9-113.9 128.2 59.1 -3.7 57.7 70 83 E F E -N 53 0C 32 -17,-3.1 -17,-3.7 -2,-0.5 2,-0.2 -0.812 21.3-135.1-126.9 160.4 58.8 -3.7 53.9 71 84 E A E -N 52 0C 42 -2,-0.3 24,-1.5 -19,-0.2 2,-0.5 -0.673 32.3-103.0-104.1 167.0 59.3 -1.3 51.1 72 85 E V E +O 94 0C 6 -21,-0.5 22,-0.2 -24,-0.4 3,-0.1 -0.865 34.7 174.7 -97.9 127.2 56.9 -0.8 48.1 73 86 E Q E + 0 0 70 20,-3.4 2,-0.3 -2,-0.5 21,-0.2 0.726 65.7 1.1 -99.9 -37.0 57.9 -2.3 44.8 74 87 E R E -O 93 0C 101 19,-1.1 19,-2.4 2,-0.0 -1,-0.4 -0.965 59.4-142.2-151.6 158.6 54.9 -1.7 42.6 75 88 E I E -O 92 0C 60 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.961 7.0-162.6-126.2 137.8 51.5 0.0 42.8 76 89 E F E -O 91 0C 54 15,-2.7 15,-2.4 -2,-0.4 2,-0.3 -0.995 14.2-175.9-123.8 120.2 48.3 -1.2 41.1 77 90 E E E -O 90 0C 89 -2,-0.5 13,-0.1 13,-0.2 2,-0.1 -0.699 14.8-160.2-113.0 162.7 45.5 1.4 40.8 78 91 E D - 0 0 69 11,-0.6 2,-0.6 9,-0.3 -1,-0.1 0.181 69.2 -43.3-119.6-122.8 42.0 1.0 39.5 79 92 E G - 0 0 38 -2,-0.1 7,-0.1 2,-0.1 9,-0.1 -0.304 67.1-172.9-112.7 63.9 40.2 4.2 38.4 80 94 E Y - 0 0 41 -2,-0.6 7,-0.2 9,-0.2 8,-0.1 -0.271 2.4-170.3 -55.2 123.6 41.1 6.6 41.2 81 95 E D B >> -Q 86 0E 43 5,-2.1 4,-1.7 1,-0.1 5,-1.5 -0.934 8.1-172.1-117.6 99.6 39.2 9.9 40.7 82 98 E P T 45S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.636 82.8 54.0 -66.8 -21.2 40.5 12.6 43.1 83 99 E V T 45S+ 0 0 122 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.909 124.1 24.3 -77.8 -46.6 37.8 15.1 42.2 84 99AE N T 45S- 0 0 81 2,-0.1 -1,-0.1 -3,-0.0 -4,-0.0 0.479 101.2-127.8 -94.7 -10.3 34.9 12.8 43.0 85 99BE L T <5 + 0 0 11 -4,-1.7 2,-0.3 1,-0.2 3,-0.3 0.943 54.5 152.7 59.2 52.2 36.8 10.5 45.3 86 100 E L B < +Q 81 0E 47 -5,-1.5 -5,-2.1 1,-0.2 -1,-0.2 -0.812 55.5 17.2-111.0 155.3 35.8 7.3 43.4 87 101 E N S S+ 0 0 63 -2,-0.3 2,-1.7 68,-0.3 -9,-0.3 0.878 71.0 176.9 52.4 54.0 37.8 4.1 43.3 88 102 E D + 0 0 2 -3,-0.3 2,-0.3 -8,-0.1 116,-0.3 -0.538 39.3 107.0 -89.7 68.3 39.9 5.0 46.4 89 103 E I + 0 0 0 -2,-1.7 -11,-0.6 -50,-0.3 2,-0.3 -0.987 40.1 177.2-147.0 142.3 41.8 1.8 46.5 90 104 E V E -MO 38 77C 0 -52,-1.9 -52,-2.5 -2,-0.3 2,-0.4 -0.974 20.2-142.5-146.9 150.2 45.3 0.7 45.6 91 105 E I E -MO 37 76C 0 -15,-2.4 -15,-2.7 -2,-0.3 2,-0.5 -0.973 16.5-161.0-112.8 133.7 47.3 -2.5 45.9 92 106 E L E -MO 36 75C 0 -56,-2.7 -56,-2.4 -2,-0.4 2,-0.4 -0.988 9.1-144.5-119.8 123.0 51.0 -2.2 46.9 93 107 E Q E -MO 35 74C 29 -19,-2.4 -20,-3.4 -2,-0.5 -19,-1.1 -0.758 21.3-132.4 -86.3 130.1 53.4 -5.1 46.1 94 108 E L E - 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