==== 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 02-OCT-07 2RG3 . COMPND 2 MOLECULE: LEUKOCYTE ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.HUANG,Y.YAMAMOTO . 218 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 66.1 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 . 77 35.3 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 . 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 . 21 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.6 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 . 4 1 4 5 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 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 A I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.9 34.2 6.9 -10.3 2 17 A V B +A 167 0A 9 165,-3.3 165,-1.8 1,-0.2 129,-0.2 -0.868 360.0 3.1-101.2 126.5 36.3 9.3 -12.5 3 18 A G S S+ 0 0 26 127,-0.7 -1,-0.2 -2,-0.5 128,-0.1 0.667 102.3 118.4 77.2 17.2 38.2 7.8 -15.4 4 19 A G - 0 0 27 -3,-0.3 2,-0.3 163,-0.1 139,-0.2 0.023 57.0-115.5 -94.6-154.7 36.8 4.3 -15.0 5 20 A R E -B 142 0B 109 137,-2.4 137,-2.8 -3,-0.1 2,-0.2 -0.941 32.5 -84.4-143.5 163.2 34.7 2.1 -17.2 6 21 A R E -B 141 0B 192 -2,-0.3 135,-0.2 135,-0.2 2,-0.1 -0.508 46.9-127.4 -70.8 134.6 31.2 0.6 -17.3 7 22 A A - 0 0 4 133,-2.9 3,-0.1 -2,-0.2 133,-0.1 -0.467 30.9 -96.0 -78.4 155.5 31.2 -2.8 -15.4 8 23 A R > - 0 0 168 1,-0.1 3,-2.2 -2,-0.1 4,-0.3 -0.470 63.0 -79.7 -66.2 143.5 29.8 -5.8 -17.2 9 24 A P T 3 S- 0 0 74 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.231 112.0 -7.4 -50.9 125.9 26.1 -6.1 -16.1 10 25 A H T 3 S+ 0 0 42 47,-0.2 48,-0.1 2,-0.1 -2,-0.1 0.754 86.2 141.9 57.8 30.4 25.9 -7.7 -12.7 11 26 A A S < S+ 0 0 13 -3,-2.2 -1,-0.1 1,-0.3 92,-0.0 0.778 76.2 39.2 -69.6 -24.9 29.7 -8.5 -12.7 12 27 A W > + 0 0 63 -4,-0.3 3,-2.5 1,-0.1 -1,-0.3 -0.683 69.6 177.0-127.9 76.4 29.7 -7.6 -9.0 13 28 A P T 3 S+ 0 0 19 0, 0.0 92,-1.8 0, 0.0 43,-0.3 0.516 77.9 63.3 -58.5 -8.5 26.5 -9.1 -7.5 14 29 A F T 3 S+ 0 0 24 90,-0.2 16,-2.4 92,-0.1 2,-0.3 0.476 77.7 114.1 -93.7 -5.1 27.5 -8.0 -4.0 15 30 A M E < -I 29 0C 6 -3,-2.5 41,-0.5 14,-0.2 42,-0.4 -0.513 49.7-165.6 -72.5 130.4 27.4 -4.3 -5.0 16 31 A V E -IJ 28 55C 0 12,-2.6 12,-1.5 -2,-0.3 2,-0.5 -0.902 15.5-149.6-121.4 145.7 24.7 -2.3 -3.3 17 32 A S E -IJ 27 54C 0 37,-2.3 37,-2.8 -2,-0.3 2,-0.5 -0.961 10.8-153.6-114.0 122.4 23.1 1.1 -4.0 18 33 A L E -IJ 26 53C 0 8,-3.2 7,-2.5 -2,-0.5 8,-1.3 -0.851 26.0-178.5 -94.5 127.1 21.8 3.1 -1.0 19 34 A Q E -IJ 24 52C 35 33,-2.7 33,-2.9 -2,-0.5 2,-0.3 -0.866 23.6-166.3-130.6 161.8 19.1 5.4 -2.0 20 35 A L E > -I 23 0C 54 3,-1.9 3,-2.2 -2,-0.3 31,-0.1 -0.767 59.0 -71.5-130.0 173.5 16.7 8.1 -0.7 21 36 A R T 3 S+ 0 0 241 1,-0.3 3,-0.1 -2,-0.3 30,-0.0 0.846 136.3 48.2 -35.2 -49.9 13.6 9.6 -2.4 22 38 A G T 3 S- 0 0 88 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.748 118.0-112.3 -67.2 -26.3 15.9 11.4 -4.8 23 39 A G E < +I 20 0C 23 -3,-2.2 -3,-1.9 0, 0.0 -1,-0.2 -0.917 66.4 16.2 133.1-159.2 18.0 8.4 -5.6 24 40 A H E +I 19 0C 18 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.222 47.5 153.3 -54.9 134.2 21.5 7.0 -5.2 25 41 A F E + 0 0 42 -7,-2.5 2,-0.3 1,-0.4 146,-0.2 0.449 64.5 9.6-138.1 -13.8 23.7 8.7 -2.5 26 42 A a E -I 18 0C 2 -8,-1.3 -8,-3.2 146,-0.1 -1,-0.4 -0.988 64.1-122.3-163.5 159.4 26.1 5.9 -1.4 27 43 A G E +I 17 0C 0 146,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.512 26.9 179.3-100.6 173.9 27.3 2.5 -2.2 28 44 A A E -I 16 0C 0 -12,-1.5 -12,-2.6 -2,-0.2 2,-0.4 -0.957 22.2-121.9-162.6 172.2 27.3 -0.6 0.1 29 45 A T E -IK 15 37C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.7 -0.993 18.5-129.9-130.7 131.7 28.3 -4.3 0.1 30 46 A L E + K 0 36C 1 -16,-2.4 77,-2.7 -2,-0.4 6,-0.2 -0.699 32.7 167.0 -79.5 117.2 26.1 -7.3 0.8 31 47 A I E + 0 0 8 4,-2.2 5,-0.2 -2,-0.7 -1,-0.2 0.409 69.0 1.9-111.6 -0.6 27.9 -9.4 3.4 32 48 A A E > S- K 0 35C 10 3,-1.1 3,-1.7 73,-0.1 -1,-0.4 -0.907 88.4 -91.1-172.8 158.4 25.0 -11.7 4.4 33 49 A P T 3 S+ 0 0 47 0, 0.0 65,-2.6 0, 0.0 63,-0.1 0.841 127.5 28.1 -51.0 -34.9 21.5 -12.1 3.1 34 50 A N T 3 S+ 0 0 44 63,-0.2 60,-2.5 183,-0.1 2,-0.4 0.131 113.9 71.2-115.6 22.0 20.2 -9.6 5.7 35 51 A F E < -KL 32 93C 14 -3,-1.7 -4,-2.2 58,-0.2 -3,-1.1 -0.989 50.6-174.9-142.0 130.7 23.3 -7.4 6.3 36 52 A V E -KL 30 92C 0 56,-2.3 56,-2.7 -2,-0.4 2,-0.4 -0.882 16.0-143.0-119.3 155.3 25.0 -4.8 4.2 37 53 A M E +KL 29 91C 0 -8,-2.8 -8,-2.4 -2,-0.3 2,-0.2 -0.958 31.9 147.9-119.1 133.6 28.3 -3.0 5.0 38 54 A S E - L 0 90C 0 52,-2.6 52,-2.2 -2,-0.4 2,-0.4 -0.767 50.7 -67.4-146.8-169.4 28.9 0.7 4.1 39 55 A A >> - 0 0 0 -12,-0.4 3,-1.1 50,-0.2 4,-0.5 -0.759 34.3-134.9 -91.8 137.2 30.7 3.8 5.3 40 56 A A G >4 S+ 0 0 6 -2,-0.4 3,-1.3 1,-0.3 4,-0.5 0.846 104.6 66.4 -57.8 -33.9 29.4 5.3 8.6 41 57 A H G >> S+ 0 0 52 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.856 90.5 65.3 -55.9 -35.7 29.6 8.7 6.9 42 58 A a G <4 S+ 0 0 3 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.777 112.7 29.7 -59.7 -31.0 26.8 7.6 4.6 43 59 A V G X< S+ 0 0 20 -3,-1.3 3,-0.7 -4,-0.5 -1,-0.2 0.233 92.1 99.5-114.7 13.7 24.3 7.4 7.4 44 60 A A T <4 S+ 0 0 53 -3,-1.0 -2,-0.1 -4,-0.5 -3,-0.1 0.924 100.0 18.3 -64.8 -46.8 25.7 10.0 9.7 45 61 A N T 3< S+ 0 0 157 -4,-0.6 2,-0.3 -3,-0.1 -1,-0.2 -0.257 107.8 96.0-121.7 46.2 23.2 12.8 8.7 46 62 A V S < S- 0 0 44 -3,-0.7 2,-1.3 5,-0.0 3,-0.1 -0.961 80.3-106.5-135.3 151.9 20.4 10.8 7.0 47 63 A N >> - 0 0 103 -2,-0.3 3,-2.8 1,-0.2 4,-0.7 -0.657 30.4-162.0 -78.3 97.6 17.0 9.5 8.1 48 63AA V G >4 S+ 0 0 41 -2,-1.3 3,-0.7 1,-0.3 24,-0.5 0.777 87.0 62.8 -51.1 -31.5 17.9 5.8 8.3 49 63BA R G 34 S+ 0 0 164 1,-0.2 -1,-0.3 22,-0.1 -2,-0.1 0.623 104.1 48.7 -71.7 -11.8 14.2 4.9 8.2 50 63CA A G <4 S+ 0 0 24 -3,-2.8 2,-0.2 21,-0.1 -1,-0.2 0.529 86.0 110.8-102.5 -10.5 14.0 6.5 4.7 51 64 A V << - 0 0 0 -3,-0.7 21,-0.6 -4,-0.7 2,-0.5 -0.475 53.4-155.7 -71.3 130.9 17.0 4.7 3.3 52 65 A R E -JM 19 71C 119 -33,-2.9 -33,-2.7 -2,-0.2 2,-0.8 -0.931 6.1-147.2-109.1 127.0 16.3 2.1 0.6 53 66 A V E -JM 18 70C 0 17,-3.5 17,-2.5 -2,-0.5 2,-0.6 -0.843 16.5-162.6 -96.1 109.8 18.9 -0.7 0.1 54 67 A V E -JM 17 69C 4 -37,-2.8 -37,-2.3 -2,-0.8 3,-0.3 -0.847 8.7-176.2-101.5 115.7 18.9 -1.7 -3.5 55 68 A L E +JM 16 68C 2 13,-3.2 13,-1.9 -2,-0.6 -39,-0.1 -0.703 61.4 26.9-105.2 157.6 20.4 -5.0 -4.5 56 69 A G S S+ 0 0 3 -41,-0.5 2,-0.2 -43,-0.3 -1,-0.2 0.706 83.6 144.4 67.2 24.0 20.9 -6.5 -8.0 57 70 A A + 0 0 8 -42,-0.4 -1,-0.2 -3,-0.3 -47,-0.2 -0.533 20.0 157.1 -94.3 159.6 21.1 -3.1 -9.8 58 71 A H S S+ 0 0 20 -2,-0.2 82,-1.9 1,-0.2 2,-0.7 0.414 74.3 34.6-139.9 -58.7 23.3 -2.1 -12.8 59 72 A N B > -O 139 0D 24 80,-0.2 3,-1.3 1,-0.1 80,-0.3 -0.910 63.1-168.6-109.4 104.2 21.7 0.8 -14.6 60 73 A L T 3 S+ 0 0 33 78,-3.1 -1,-0.1 -2,-0.7 79,-0.1 0.657 82.1 65.1 -67.1 -16.0 20.1 3.1 -12.0 61 74 A S T 3 S+ 0 0 80 77,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.638 99.2 61.4 -82.2 -14.5 18.3 5.1 -14.7 62 75 A R S < S- 0 0 180 -3,-1.3 2,-0.6 76,-0.2 -4,-0.1 -0.703 91.0-105.0-111.5 163.6 16.2 2.2 -15.8 63 76 A R - 0 0 210 -2,-0.2 -2,-0.1 2,-0.0 -3,-0.1 -0.776 40.9-166.4 -85.7 120.7 13.6 -0.0 -14.2 64 77 A E > - 0 0 31 -2,-0.6 3,-1.6 1,-0.1 -4,-0.0 -0.943 22.7-162.1-119.1 118.4 15.3 -3.4 -13.5 65 78 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.646 89.9 71.3 -67.5 -15.1 13.4 -6.5 -12.5 66 79 A T T 3 S+ 0 0 39 -10,-0.1 2,-0.1 2,-0.0 37,-0.1 0.600 80.2 106.2 -76.3 -11.1 16.6 -8.0 -11.2 67 80 A R < - 0 0 60 -3,-1.6 2,-0.4 -13,-0.0 -11,-0.2 -0.358 50.7-166.8 -74.6 149.8 16.5 -5.5 -8.3 68 81 A Q E -M 55 0C 30 -13,-1.9 -13,-3.2 -2,-0.1 2,-0.5 -0.991 11.6-158.5-134.7 122.1 15.6 -6.4 -4.7 69 82 A V E +M 54 0C 82 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.905 13.6 173.3-113.7 131.9 14.9 -3.5 -2.3 70 83 A F E -M 53 0C 30 -17,-2.5 -17,-3.5 -2,-0.5 2,-0.2 -0.832 23.7-128.8-128.5 165.5 15.0 -3.5 1.5 71 84 A A E -M 52 0C 19 -2,-0.3 24,-1.8 -19,-0.2 2,-0.5 -0.694 33.7-102.0-107.9 164.0 14.7 -1.1 4.4 72 85 A V E +N 94 0C 7 -21,-0.6 22,-0.2 -24,-0.5 3,-0.1 -0.791 35.9 174.8 -91.7 125.1 17.2 -0.7 7.2 73 86 A Q E + 0 0 100 20,-3.6 2,-0.3 -2,-0.5 21,-0.2 0.836 65.6 4.7 -94.8 -42.2 16.0 -2.3 10.4 74 87 A R E -N 93 0C 146 19,-1.3 19,-2.8 -26,-0.0 2,-0.4 -0.977 60.7-141.7-145.5 155.4 19.1 -1.8 12.7 75 88 A I E -N 92 0C 45 -2,-0.3 2,-0.5 17,-0.2 17,-0.2 -0.965 7.5-162.2-121.7 135.8 22.4 -0.0 12.6 76 89 A F E -N 91 0C 40 15,-2.6 15,-2.2 -2,-0.4 2,-0.2 -0.977 14.5-167.5-118.9 120.0 25.7 -1.3 14.1 77 90 A E E -N 90 0C 140 -2,-0.5 13,-0.1 13,-0.2 10,-0.0 -0.654 18.3-162.2-105.5 162.6 28.4 1.3 14.6 78 92 A N - 0 0 49 11,-0.6 12,-0.0 9,-0.3 -38,-0.0 -0.285 66.9 -68.0-139.5 50.0 32.1 0.9 15.4 79 93 A G - 0 0 53 1,-0.2 7,-0.1 9,-0.0 9,-0.1 0.815 60.2-163.2 72.7 34.8 33.4 4.2 16.7 80 94 A Y - 0 0 42 9,-0.2 7,-0.2 1,-0.1 -1,-0.2 -0.236 3.7-156.6 -52.7 131.7 33.1 6.4 13.6 81 95 A D B >> -P 86 0E 41 5,-2.7 5,-1.5 1,-0.1 4,-1.4 -0.904 8.5-172.4-115.8 98.3 35.2 9.6 14.0 82 96 A P T 45S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.683 83.0 48.5 -64.5 -21.9 33.8 12.3 11.6 83 97 A V T 45S+ 0 0 114 1,-0.1 -2,-0.0 3,-0.1 0, 0.0 0.892 122.2 30.5 -86.8 -42.8 36.5 14.8 12.3 84 98 A N T 45S- 0 0 83 2,-0.1 -1,-0.1 0, 0.0 -3,-0.0 0.504 103.4-126.9 -92.6 -4.8 39.5 12.5 11.8 85 99 A L T <5 + 0 0 55 -4,-1.4 2,-0.3 1,-0.2 3,-0.3 0.944 57.6 147.7 58.6 52.1 37.7 10.3 9.3 86 100 A L B < +P 81 0E 43 -5,-1.5 -5,-2.7 1,-0.2 -1,-0.2 -0.863 51.7 15.8-119.6 153.2 38.4 7.1 11.2 87 101 A N S S+ 0 0 64 -2,-0.3 2,-2.2 68,-0.3 -9,-0.3 0.913 71.1 177.6 53.2 46.8 36.5 3.8 11.6 88 102 A D + 0 0 4 -3,-0.3 2,-0.3 -8,-0.1 116,-0.3 -0.462 36.8 108.6 -82.0 69.6 34.3 4.8 8.6 89 103 A I + 0 0 0 -2,-2.2 -11,-0.6 -50,-0.3 2,-0.3 -0.998 37.4 172.5-146.8 145.4 32.3 1.6 8.7 90 104 A V E -LN 38 77C 2 -52,-2.2 -52,-2.6 -2,-0.3 2,-0.5 -0.990 21.8-140.8-151.7 147.5 28.8 0.6 9.5 91 105 A I E -LN 37 76C 0 -15,-2.2 -15,-2.6 -2,-0.3 2,-0.6 -0.959 14.5-158.8-114.2 128.4 26.6 -2.5 9.2 92 106 A L E -LN 36 75C 0 -56,-2.7 -56,-2.3 -2,-0.5 2,-0.4 -0.934 7.5-148.0-109.3 119.9 23.0 -2.1 8.3 93 107 A Q E -LN 35 74C 36 -19,-2.8 -20,-3.6 -2,-0.6 -19,-1.3 -0.732 22.0-132.1 -86.4 132.6 20.6 -4.9 9.1 94 108 A L E - 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