==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-02 1H1B . COMPND 2 MOLECULE: LEUKOCYTE ELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.J.F.MACDONALD,M.D.DOWLE,L.A.HARRISON,G.D.E.CLARKE, . 436 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18201.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 1 0 0 2 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 3 9 8 3 4 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 0 1 1 0 0 0 0 1 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,-0.4 0.000 360.0 360.0 360.0 120.8 6.8 18.3 22.6 2 17 A V B -A 167 0A 18 165,-3.6 165,-1.8 1,-0.2 129,-0.2 -0.834 360.0 -1.9 -96.6 123.6 7.8 21.5 24.4 3 18 A G S S+ 0 0 32 127,-0.7 -1,-0.2 -2,-0.5 2,-0.1 0.698 101.8 116.0 71.9 26.4 5.8 24.6 23.5 4 19 A G - 0 0 26 -3,-0.4 2,-0.3 163,-0.1 139,-0.2 -0.056 58.5-115.0-100.0-159.2 3.5 23.0 20.9 5 20 A R E -B 142 0B 120 137,-2.5 137,-2.6 -2,-0.1 2,-0.1 -0.882 34.0 -80.1-135.3 169.1 -0.3 22.6 20.9 6 21 A R E -B 141 0B 130 -2,-0.3 2,-0.3 135,-0.2 135,-0.3 -0.455 48.8-130.5 -66.1 139.4 -2.8 19.7 21.0 7 22 A A - 0 0 4 133,-2.3 3,-0.1 51,-0.1 133,-0.1 -0.670 31.0 -93.8 -84.0 158.0 -3.3 18.3 17.6 8 23 A R > - 0 0 166 -2,-0.3 3,-1.8 1,-0.2 4,-0.3 -0.444 59.6 -82.4 -67.7 139.8 -6.8 17.9 16.3 9 24 A P T 3 S- 0 0 69 0, 0.0 -1,-0.2 0, 0.0 49,-0.1 -0.070 109.8 -7.1 -43.3 134.7 -8.0 14.4 17.0 10 25 A H T 3 S+ 0 0 47 1,-0.2 48,-0.1 2,-0.1 -2,-0.1 0.816 89.4 140.8 42.1 38.6 -6.9 11.9 14.5 11 26 A A S < S+ 0 0 11 -3,-1.8 -1,-0.2 1,-0.2 -3,-0.0 0.685 74.5 37.1 -75.5 -26.0 -5.5 14.7 12.4 12 27 A W S > S- 0 0 73 -4,-0.3 3,-2.6 1,-0.1 -1,-0.2 -0.630 70.7-179.9-132.7 75.9 -2.5 12.6 11.6 13 28 A P T 3 S+ 0 0 28 0, 0.0 92,-1.4 0, 0.0 43,-0.3 0.507 78.4 62.1 -62.1 -9.3 -3.7 9.0 11.1 14 29 A F T 3 S+ 0 0 24 90,-0.2 16,-2.0 92,-0.1 2,-0.4 0.359 77.2 117.4 -87.9 1.9 -0.3 7.6 10.3 15 30 A M E < -I 29 0C 6 -3,-2.6 42,-0.4 14,-0.2 41,-0.4 -0.640 48.2-165.4 -81.5 126.5 1.0 8.6 13.8 16 31 A V E -I 28 0C 0 12,-3.0 12,-1.4 -2,-0.4 2,-0.5 -0.867 16.2-149.7-117.1 141.7 2.0 5.6 15.9 17 32 A S E -IJ 27 54C 0 37,-2.1 37,-2.8 -2,-0.3 2,-0.5 -0.984 11.2-153.5-105.8 118.4 2.7 5.0 19.7 18 33 A L E -IJ 26 53C 0 8,-2.6 7,-2.4 -2,-0.5 8,-1.2 -0.846 23.8-174.5 -83.6 125.6 5.3 2.4 20.5 19 34 A Q E -IJ 24 52C 16 33,-2.4 33,-3.0 -2,-0.5 2,-0.6 -0.923 27.5-148.9-129.1 144.8 4.5 1.0 24.0 20 35 A L E > S-IJ 23 51C 67 3,-2.4 3,-1.1 -2,-0.3 31,-0.2 -0.922 87.6 -29.7-112.7 106.8 6.1 -1.4 26.5 21 36 A R T 3 S- 0 0 198 29,-1.0 -1,-0.2 -2,-0.6 30,-0.1 0.948 134.1 -36.7 44.2 55.2 3.3 -3.1 28.7 22 38 A G T 3 S+ 0 0 45 1,-0.1 2,-0.7 -3,-0.0 -1,-0.2 0.305 115.0 117.6 89.8 -5.3 1.1 -0.1 28.3 23 39 A G E < -I 20 0C 34 -3,-1.1 -3,-2.4 2,-0.0 -1,-0.1 -0.854 59.3-136.6-108.8 113.3 3.8 2.5 28.5 24 40 A H E +I 19 0C 26 -2,-0.7 -5,-0.3 -5,-0.3 3,-0.1 -0.308 34.3 158.2 -53.6 130.5 4.5 4.9 25.6 25 41 A F E - 0 0 27 -7,-2.4 146,-0.3 1,-0.4 2,-0.3 0.390 62.9 -0.0-130.7 -12.6 8.3 5.3 25.0 26 42 A a E -I 18 0C 8 -8,-1.2 -8,-2.6 146,-0.1 -1,-0.4 -0.959 64.0-120.1-167.5 161.5 8.6 6.5 21.3 27 43 A G E -I 17 0C 0 146,-2.8 12,-0.3 -2,-0.3 2,-0.3 -0.372 26.1-177.7 -99.0-177.2 6.5 7.4 18.3 28 44 A A E -I 16 0C 0 -12,-1.4 -12,-3.0 10,-0.1 2,-0.4 -0.959 22.3-114.3-165.7 174.8 6.6 5.8 14.8 29 45 A T E -IK 15 37C 0 8,-2.9 8,-1.4 -2,-0.3 2,-0.6 -0.982 18.6-130.7-126.4 125.4 5.0 6.2 11.3 30 46 A L E + K 0 36C 1 -16,-2.0 77,-2.4 -2,-0.4 6,-0.3 -0.625 32.4 168.2 -72.5 109.9 2.7 3.7 9.4 31 47 A I E + 0 0 9 4,-2.2 5,-0.2 -2,-0.6 -1,-0.2 0.384 68.6 5.7-104.5 -0.2 4.3 3.4 6.0 32 48 A A E > S- K 0 35C 8 3,-1.1 3,-2.0 73,-0.1 -1,-0.3 -0.896 90.4 -92.2-172.2 160.1 2.3 0.3 4.7 33 49 A P T 3 S+ 0 0 53 0, 0.0 65,-2.8 0, 0.0 63,-0.1 0.747 128.5 28.5 -61.5 -18.4 -0.6 -1.6 6.2 34 50 A N T 3 S+ 0 0 39 63,-0.2 60,-2.3 183,-0.1 2,-0.3 -0.018 112.9 68.5-130.2 28.2 1.9 -3.9 7.8 35 51 A F E < -KL 32 93C 11 -3,-2.0 -4,-2.2 58,-0.2 -3,-1.1 -0.980 47.6-178.1-146.2 135.2 5.0 -1.8 8.3 36 52 A V E -KL 30 92C 0 56,-1.8 56,-2.8 -2,-0.3 2,-0.3 -0.826 13.9-150.4-117.7 161.0 6.0 1.2 10.6 37 53 A M E +KL 29 91C 0 -8,-1.4 -8,-2.9 -2,-0.3 2,-0.2 -0.976 26.6 149.6-129.0 156.1 9.3 3.0 10.6 38 54 A S E - L 0 90C 0 52,-1.7 52,-1.9 -2,-0.3 2,-0.3 -0.714 53.6 -57.0-162.2-171.1 10.8 4.7 13.7 39 55 A A >> - 0 0 1 -12,-0.3 3,-1.1 50,-0.2 4,-0.5 -0.757 37.3-133.6 -93.9 138.3 14.3 5.4 15.0 40 56 A A H >> S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.3 4,-0.8 0.860 104.8 61.8 -52.2 -35.5 16.7 2.5 15.5 41 57 A H H 3> S+ 0 0 91 1,-0.3 4,-0.5 2,-0.2 3,-0.5 0.816 91.6 68.4 -71.8 -22.0 17.7 3.9 18.9 42 58 A a H <4 S+ 0 0 8 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.837 108.0 33.8 -62.3 -33.0 14.1 3.5 20.1 43 59 A V H X< S+ 0 0 8 -3,-1.4 3,-0.8 -4,-0.5 -1,-0.2 0.407 92.6 99.5-105.5 3.0 14.3 -0.4 20.0 44 60 A A H 3< S+ 0 0 24 -4,-0.8 221,-0.5 -3,-0.5 2,-0.2 0.893 90.3 24.3 -61.7 -44.5 17.9 -0.7 21.0 45 61 A N T 3< S+ 0 0 101 -4,-0.5 2,-0.3 -3,-0.2 -1,-0.2 -0.313 104.2 86.0-124.5 61.4 17.6 -1.5 24.7 46 62 A V S < S- 0 0 26 -3,-0.8 2,-1.0 217,-0.6 219,-0.1 -0.942 84.7-101.8-142.7 158.4 14.2 -3.0 25.2 47 62AA N > - 0 0 84 -2,-0.3 3,-1.6 1,-0.2 217,-0.1 -0.803 32.6-161.1 -82.4 103.2 12.7 -6.5 24.8 48 62BA V G > S+ 0 0 14 -2,-1.0 3,-2.0 1,-0.3 24,-0.4 0.769 82.4 71.8 -63.5 -21.1 11.1 -6.1 21.5 49 63 A R G 3 S+ 0 0 163 1,-0.3 -1,-0.3 252,-0.1 23,-0.0 0.792 100.5 47.4 -63.1 -26.0 8.8 -9.1 22.2 50 64 A A G < S+ 0 0 33 -3,-1.6 -29,-1.0 2,-0.1 2,-0.4 0.278 87.3 113.0 -96.6 7.4 7.0 -7.0 24.6 51 65 A V E < -J 20 0C 2 -3,-2.0 2,-0.5 -31,-0.2 21,-0.5 -0.680 50.6-157.5 -87.2 132.7 6.6 -4.0 22.3 52 65AA R E -J 19 0C 102 -33,-3.0 -33,-2.4 -2,-0.4 2,-0.8 -0.931 8.1-147.4-108.8 132.1 3.2 -3.0 21.2 53 66 A V E -JM 18 70C 0 17,-3.2 17,-2.2 -2,-0.5 2,-0.6 -0.885 20.9-159.5 -98.4 110.7 2.7 -1.0 18.0 54 67 A V E -JM 17 69C 4 -37,-2.8 -37,-2.1 -2,-0.8 3,-0.4 -0.821 9.0-172.4-107.2 118.7 -0.4 1.1 18.7 55 68 A L E + M 0 68C 2 13,-3.8 13,-2.2 -2,-0.6 -39,-0.1 -0.643 62.2 23.9-107.9 155.0 -2.3 2.6 15.7 56 69 A G S S+ 0 0 4 -41,-0.4 -1,-0.2 -43,-0.3 2,-0.2 0.676 81.9 150.4 68.3 23.6 -5.2 5.1 15.7 57 70 A A + 0 0 8 -42,-0.4 -1,-0.2 -3,-0.4 -47,-0.1 -0.550 18.3 159.4 -89.1 155.5 -4.4 6.7 19.1 58 71 A H S S+ 0 0 24 1,-0.2 82,-1.7 -2,-0.2 2,-0.7 0.507 71.1 29.7-127.7 -67.6 -5.1 10.3 20.3 59 72 A N B > -V 139 0D 11 80,-0.2 3,-1.8 1,-0.1 80,-0.3 -0.903 62.5-160.7-103.2 109.2 -5.2 10.6 24.1 60 73 A L T 3 S+ 0 0 39 78,-2.7 -1,-0.1 -2,-0.7 79,-0.1 0.676 89.3 60.1 -65.1 -20.1 -2.9 8.1 25.9 61 74 A S T 3 S+ 0 0 84 2,-0.1 2,-0.4 77,-0.1 -1,-0.3 0.237 98.6 78.9 -89.6 14.3 -4.7 8.4 29.2 62 75 A R S < S- 0 0 167 -3,-1.8 2,-0.3 76,-0.2 -4,-0.1 -0.929 84.5-116.5-122.1 149.7 -8.0 7.3 27.6 63 76 A R - 0 0 245 -2,-0.4 -4,-0.1 2,-0.0 -2,-0.1 -0.594 42.0-167.0 -67.1 135.9 -9.5 4.0 26.6 64 77 A E > - 0 0 33 -2,-0.3 3,-1.8 1,-0.1 -2,-0.0 -0.833 26.9-170.7-142.5 104.8 -9.8 4.4 22.9 65 78 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -8,-0.1 0.706 85.7 72.4 -60.6 -24.3 -11.8 2.0 20.6 66 79 A T T 3 S+ 0 0 42 -10,-0.1 2,-0.1 2,-0.0 37,-0.1 0.696 80.7 109.7 -64.3 -12.8 -10.3 3.7 17.5 67 80 A R < - 0 0 58 -3,-1.8 2,-0.4 -13,-0.0 -11,-0.3 -0.336 49.8-165.3 -75.1 144.0 -7.0 1.9 18.3 68 81 A Q E -M 55 0C 32 -13,-2.2 -13,-3.8 -2,-0.1 2,-0.4 -0.993 11.5-160.5-120.6 132.0 -5.3 -1.0 16.4 69 82 A V E +M 54 0C 85 -2,-0.4 2,-0.2 -15,-0.2 -15,-0.2 -0.964 16.1 164.0-121.5 124.5 -2.5 -3.0 18.2 70 83 A F E -M 53 0C 29 -17,-2.2 -17,-3.2 -2,-0.4 2,-0.3 -0.702 25.7-129.3-126.5 170.9 0.1 -5.2 16.6 71 84 A A - 0 0 32 -2,-0.2 24,-1.7 -19,-0.2 2,-0.5 -0.775 34.3 -93.4-116.4 170.5 3.4 -6.7 17.5 72 85 A V E +N 94 0C 4 -21,-0.5 22,-0.2 -24,-0.4 230,-0.2 -0.702 38.3 171.5 -86.7 127.0 6.7 -6.6 15.7 73 86 A Q E + 0 0 57 20,-3.0 2,-0.3 -2,-0.5 229,-0.3 0.716 66.7 18.1-101.0 -34.0 7.2 -9.7 13.4 74 87 A R E -N 93 0C 76 19,-1.0 19,-2.0 226,-0.2 2,-0.4 -0.989 60.5-148.2-142.3 153.6 10.5 -8.5 11.7 75 88 A I E +NO 92 299C 7 224,-2.7 223,-2.0 -2,-0.3 224,-1.5 -0.910 11.5 179.6-127.5 136.5 13.4 -6.0 12.0 76 89 A F E +NO 91 297C 16 15,-2.0 15,-2.3 -2,-0.4 2,-0.3 -0.992 6.3 167.3-131.0 128.9 15.4 -4.1 9.4 77 90 A E E -NO 90 296C 14 219,-1.8 219,-1.8 -2,-0.4 2,-0.3 -0.962 18.2-156.7-138.1 150.3 18.3 -1.6 10.1 78 91 A N E S- O 0 295C 51 11,-0.6 217,-0.2 -2,-0.3 134,-0.0 -0.680 73.2 -35.4-136.7 78.3 20.8 -0.3 7.6 79 92 A G E S- 0 0 2 215,-1.4 216,-0.2 -2,-0.3 2,-0.2 0.762 73.0-179.7 83.8 28.5 24.0 1.0 9.2 80 94 A Y E - 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