==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-JAN-09 3FTX . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.DAVIES . 607 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 39 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 2 0 1 0 1 0 1 4 3 2 1 1 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 1 3 1 2 1 2 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 2 1 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 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 4 A V 0 0 158 0, 0.0 2,-1.1 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 138.5 19.6 13.5 6.1 2 5 A D > - 0 0 16 1,-0.2 3,-1.6 305,-0.1 305,-0.0 -0.747 360.0-171.6 -89.6 99.6 17.8 11.4 3.6 3 6 A T T 3 S+ 0 0 40 -2,-1.1 365,-0.4 1,-0.3 -1,-0.2 0.530 81.0 62.9 -74.6 1.6 20.6 9.9 1.5 4 7 A C T 3 S+ 0 0 0 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.540 96.4 71.2 -96.4 -6.4 18.1 8.5 -1.0 5 8 A S < - 0 0 20 -3,-1.6 141,-0.1 1,-0.1 139,-0.1 -0.879 52.8-168.5-117.5 144.1 16.9 12.0 -2.0 6 9 A L + 0 0 35 -2,-0.4 -1,-0.1 73,-0.2 138,-0.1 0.384 62.5 103.8-102.0 -2.1 18.5 14.8 -4.0 7 10 A A S S- 0 0 12 1,-0.2 44,-0.3 136,-0.1 -2,-0.1 -0.256 88.9 -79.7 -77.9 165.3 15.9 17.4 -3.1 8 11 A S - 0 0 13 42,-2.7 -1,-0.2 1,-0.1 44,-0.1 -0.433 59.0-115.7 -54.4 134.1 16.2 20.2 -0.5 9 12 A P >> - 0 0 56 0, 0.0 4,-2.0 0, 0.0 3,-1.6 -0.167 23.7 -99.8 -73.0 174.1 15.7 18.6 2.9 10 13 A A T 34 S+ 0 0 14 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.705 120.7 63.4 -68.2 -24.0 12.8 19.4 5.3 11 14 A S T 34 S+ 0 0 79 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.709 110.0 39.5 -71.8 -20.5 15.0 21.7 7.4 12 15 A V T <4 S- 0 0 26 -3,-1.6 30,-2.7 1,-0.4 31,-0.5 0.858 133.1 -19.9 -94.0 -47.1 15.3 24.0 4.3 13 16 A C E < -A 41 0A 0 -4,-2.0 2,-0.4 28,-0.3 -1,-0.4 -0.976 56.3-146.7-162.1 155.6 11.7 23.8 2.9 14 17 A R E -A 40 0A 94 26,-2.1 26,-3.0 -2,-0.3 2,-0.5 -0.989 16.0-130.6-135.9 130.1 8.6 21.6 3.1 15 18 A T E +A 39 0A 5 -2,-0.4 24,-0.2 24,-0.2 3,-0.1 -0.650 24.2 177.9 -74.5 123.6 5.9 20.8 0.6 16 19 A K E + 0 0 79 22,-3.2 136,-2.3 -2,-0.5 2,-0.3 0.756 63.8 7.1 -95.5 -33.4 2.5 21.3 2.2 17 20 A H E -Ab 38 152A 43 21,-1.2 21,-2.9 134,-0.3 2,-0.4 -0.998 53.8-154.7-152.7 149.2 0.3 20.4 -0.7 18 21 A L E -Ab 37 153A 1 134,-1.8 136,-2.3 -2,-0.3 2,-0.6 -0.996 3.9-168.3-122.8 128.1 0.3 19.1 -4.3 19 22 A H E -Ab 36 154A 47 17,-2.3 17,-3.0 -2,-0.4 2,-0.5 -0.967 15.4-166.9-110.2 117.5 -2.3 19.8 -6.8 20 23 A L E +Ab 35 155A 6 134,-2.6 136,-2.3 -2,-0.6 2,-0.5 -0.896 13.8 178.1-108.6 125.6 -1.9 17.5 -9.7 21 24 A R E +Ab 34 156A 99 13,-2.6 13,-2.8 -2,-0.5 2,-0.3 -0.988 25.2 149.1-123.0 115.9 -3.6 18.0 -13.1 22 25 A C E -Ab 33 157A 10 134,-2.2 136,-2.8 -2,-0.5 2,-0.4 -0.940 38.4-140.2-147.0 165.1 -2.7 15.4 -15.6 23 26 A S E -Ab 32 158A 38 9,-1.9 9,-2.0 -2,-0.3 2,-0.7 -0.989 19.3-137.1-128.6 135.9 -3.8 13.4 -18.7 24 27 A V E -A 31 0A 0 134,-2.8 2,-0.8 -2,-0.4 7,-0.2 -0.867 17.5-166.3 -99.3 113.2 -3.0 9.7 -19.2 25 28 A D E >> -A 30 0A 42 5,-2.8 5,-1.8 -2,-0.7 4,-1.4 -0.864 10.3-177.5-106.0 101.9 -2.0 9.1 -22.9 26 29 A F T 45S+ 0 0 36 -2,-0.8 -1,-0.2 2,-0.2 101,-0.1 0.733 80.7 61.2 -71.7 -23.5 -2.0 5.4 -23.6 27 30 A T T 45S+ 0 0 131 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.925 120.4 24.4 -67.7 -44.7 -0.8 6.0 -27.2 28 31 A R T 45S- 0 0 114 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.567 102.1-128.6 -96.3 -7.9 2.4 7.6 -26.1 29 32 A R T <5 + 0 0 92 -4,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.947 64.7 131.6 56.1 50.9 2.5 5.9 -22.6 30 33 A T E < -A 25 0A 2 -5,-1.8 -5,-2.8 77,-0.1 2,-0.5 -0.960 55.8-145.0-130.9 147.8 3.0 9.3 -21.0 31 34 A L E -A 24 0A 2 -2,-0.3 74,-2.6 -7,-0.2 2,-0.4 -0.975 30.3-175.1-102.4 130.3 1.5 11.2 -18.1 32 35 A T E +AC 23 104A 56 -9,-2.0 -9,-1.9 -2,-0.5 2,-0.3 -0.990 27.1 75.1-127.7 133.9 1.4 14.9 -19.0 33 36 A G E -AC 22 103A 17 70,-2.5 70,-2.5 -2,-0.4 2,-0.4 -0.959 68.7 -52.5 169.1-148.8 0.4 17.8 -16.9 34 37 A T E -AC 21 102A 18 -13,-2.8 -13,-2.6 -2,-0.3 2,-0.6 -0.991 24.2-159.5-131.7 133.7 1.2 20.2 -14.1 35 38 A A E -AC 20 101A 0 66,-2.3 66,-2.7 -2,-0.4 2,-0.7 -0.976 12.7-162.0-107.5 113.8 2.2 19.6 -10.5 36 39 A A E -AC 19 100A 15 -17,-3.0 -17,-2.3 -2,-0.6 2,-0.6 -0.873 8.9-164.2 -98.4 108.1 1.5 22.6 -8.4 37 40 A L E -AC 18 99A 3 62,-3.0 62,-2.6 -2,-0.7 2,-0.7 -0.829 13.2-150.3 -95.7 121.9 3.5 22.4 -5.1 38 41 A T E -AC 17 98A 31 -21,-2.9 -22,-3.2 -2,-0.6 -21,-1.2 -0.844 28.2-170.2 -86.0 115.8 2.6 24.6 -2.2 39 42 A V E -AC 15 97A 4 58,-2.6 58,-2.2 -2,-0.7 2,-0.6 -0.911 16.7-154.9-118.9 132.0 6.0 25.0 -0.6 40 43 A Q E -AC 14 96A 30 -26,-3.0 -26,-2.1 -2,-0.4 56,-0.2 -0.907 18.9-131.7-106.5 121.6 6.8 26.5 2.8 41 44 A S E -A 13 0A 0 54,-2.8 53,-2.8 -2,-0.6 -28,-0.3 -0.431 17.1-172.4 -65.8 137.6 10.3 28.0 3.4 42 45 A Q + 0 0 29 -30,-2.7 2,-0.3 51,-0.2 -29,-0.2 0.234 67.8 64.5-106.2 7.1 12.0 26.9 6.6 43 46 A E S > S- 0 0 80 -31,-0.5 3,-0.6 49,-0.2 2,-0.1 -0.970 83.8-111.3-130.8 148.9 14.9 29.3 6.2 44 47 A D T 3 S+ 0 0 123 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.445 99.3 12.5 -66.9 147.7 15.4 33.1 6.0 45 48 A N T 3 S- 0 0 84 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.861 81.0-179.5 55.6 44.4 16.3 34.6 2.7 46 49 A L E < +H 91 0B 11 45,-2.7 45,-2.4 -3,-0.6 -1,-0.2 -0.654 13.7 164.1 -84.4 124.9 15.5 31.4 0.6 47 50 A R E + 0 0 156 -2,-0.5 40,-2.6 43,-0.2 2,-0.3 0.522 58.9 17.4-122.0 -12.6 16.2 31.9 -3.1 48 51 A S E -H 86 0B 47 38,-0.2 2,-0.3 40,-0.0 -1,-0.2 -0.978 55.2-169.7-150.8 166.4 16.3 28.5 -4.6 49 52 A L E -H 85 0B 3 36,-1.6 36,-2.9 -2,-0.3 2,-0.4 -0.986 16.2-131.0-154.2 161.5 15.3 24.9 -3.9 50 53 A V E -H 84 0B 28 -2,-0.3 -42,-2.7 34,-0.2 2,-0.3 -0.934 15.7-166.8-122.2 138.1 15.9 21.5 -5.4 51 54 A L E -H 83 0B 1 32,-2.3 32,-2.7 -2,-0.4 2,-0.3 -0.869 25.0-113.2-116.8 151.3 13.4 18.7 -6.3 52 55 A D E +HI 82 143B 0 91,-2.8 91,-1.4 -2,-0.3 2,-0.3 -0.651 39.4 169.5 -74.5 139.1 13.8 15.0 -7.1 53 56 A T E -H 81 0B 3 28,-0.7 28,-1.8 -2,-0.3 2,-0.3 -0.974 17.5-165.0-142.2 163.0 13.0 13.9 -10.7 54 57 A K S S- 0 0 18 84,-1.7 52,-0.3 -2,-0.3 56,-0.1 -0.851 74.8 -24.8-152.4 109.9 13.6 10.7 -12.7 55 58 A D S S+ 0 0 62 -2,-0.3 51,-0.4 1,-0.2 2,-0.3 0.816 94.1 146.8 59.2 35.7 13.2 10.5 -16.5 56 59 A L - 0 0 15 49,-0.2 2,-0.6 25,-0.1 -1,-0.2 -0.819 45.5-140.2 -99.9 143.7 10.9 13.5 -16.5 57 60 A T E -D 104 0A 86 47,-3.0 47,-1.5 -2,-0.3 2,-0.5 -0.909 18.2-155.3 -99.0 118.2 10.6 16.1 -19.3 58 61 A I E +D 103 0A 16 -2,-0.6 45,-0.2 45,-0.2 3,-0.1 -0.844 17.2 178.1 -96.1 125.1 10.1 19.6 -17.8 59 62 A E E - 0 0 147 43,-2.6 2,-0.3 -2,-0.5 -1,-0.2 0.848 63.7 -31.5 -86.2 -47.4 8.5 22.1 -20.1 60 63 A K E -D 102 0A 63 42,-1.0 42,-2.8 2,-0.0 2,-0.4 -0.974 44.5-133.4-167.5 165.7 8.4 25.1 -17.7 61 64 A V E -D 101 0A 1 7,-0.4 7,-2.4 -2,-0.3 2,-0.4 -0.996 24.5-164.9-133.9 120.5 8.1 26.3 -14.1 62 65 A V E +DE 100 67A 22 38,-3.0 38,-2.7 -2,-0.4 2,-0.3 -0.920 13.2 170.4-116.5 132.7 5.7 29.1 -13.3 63 66 A I E > S+ E 0 66A 3 3,-2.6 3,-2.2 -2,-0.4 36,-0.1 -0.993 75.4 0.1-136.4 141.0 5.6 31.1 -10.1 64 67 A N T 3 S- 0 0 111 34,-0.5 -1,-0.1 -2,-0.3 3,-0.1 0.848 131.0 -59.9 44.2 38.9 3.4 34.3 -9.6 65 68 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.532 118.8 99.6 77.5 5.7 2.2 33.8 -13.2 66 69 A Q E < S-E 63 0A 141 -3,-2.2 -3,-2.6 0, 0.0 -1,-0.2 -0.947 76.0-110.2-125.1 146.5 5.7 34.1 -14.7 67 70 A E E -E 62 0A 120 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.481 37.6-161.1 -71.0 144.7 8.1 31.5 -16.0 68 71 A V - 0 0 14 -7,-2.4 -7,-0.4 -2,-0.1 2,-0.2 -0.823 22.1 -90.8-127.0 165.7 11.3 31.1 -13.9 69 72 A K + 0 0 152 17,-0.3 17,-3.0 -2,-0.3 2,-0.3 -0.501 45.7 163.9 -78.3 137.8 14.7 29.7 -14.4 70 73 A Y E -J 85 0B 75 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.962 18.8-154.8-146.2 167.4 15.5 26.0 -13.5 71 74 A A E -J 84 0B 54 13,-2.1 13,-2.7 -2,-0.3 2,-0.6 -0.997 12.0-139.4-148.3 132.7 18.3 23.6 -14.2 72 75 A L E -J 83 0B 80 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.868 25.0-142.4 -96.6 124.2 18.3 19.8 -14.3 73 76 A G - 0 0 32 9,-3.8 2,-0.1 -2,-0.6 3,-0.1 -0.149 35.6 -73.3 -74.9 175.1 21.5 18.3 -12.8 74 77 A E - 0 0 173 1,-0.1 -1,-0.2 7,-0.1 2,-0.1 -0.421 60.0 -94.4 -68.4 145.7 23.3 15.3 -14.1 75 78 A R - 0 0 98 6,-0.2 2,-0.5 -2,-0.1 6,-0.2 -0.365 28.7-157.4 -62.5 137.7 21.7 11.9 -13.5 76 79 A Q > - 0 0 96 4,-3.4 3,-2.0 1,-0.3 4,-0.3 -0.691 42.2-103.6-114.6 70.8 22.8 10.1 -10.4 77 80 A S G > S- 0 0 85 -2,-0.5 3,-1.6 1,-0.3 -1,-0.3 -0.114 96.5 -1.1 53.4-131.5 21.9 6.5 -11.3 78 81 A Y G 3 S+ 0 0 33 1,-0.3 -1,-0.3 -3,-0.1 291,-0.0 0.633 127.1 68.0 -71.3 -15.0 18.7 5.2 -9.6 79 82 A K G < S- 0 0 20 -3,-2.0 -26,-0.3 1,-0.3 -1,-0.3 0.675 96.0-148.4 -74.3 -17.9 18.3 8.6 -7.7 80 83 A G < - 0 0 0 -3,-1.6 -4,-3.4 -4,-0.3 -1,-0.3 -0.547 34.1 -38.4 84.7-151.3 17.5 10.4 -10.9 81 84 A S E -H 53 0B 20 -28,-1.8 -28,-0.7 -6,-0.2 2,-0.2 -0.967 52.4-126.3-121.5 125.0 18.3 14.0 -11.7 82 85 A P E -H 52 0B 25 0, 0.0 -9,-3.8 0, 0.0 2,-0.6 -0.485 19.5-150.7 -71.4 138.5 18.1 17.0 -9.3 83 86 A M E -HJ 51 72B 0 -32,-2.7 -32,-2.3 -11,-0.2 2,-0.5 -0.941 7.0-161.1-115.1 111.5 16.0 19.9 -10.4 84 87 A E E -HJ 50 71B 95 -13,-2.7 -13,-2.1 -2,-0.6 2,-0.5 -0.816 5.1-162.2 -94.8 129.0 17.1 23.4 -9.1 85 88 A I E -HJ 49 70B 0 -36,-2.9 -36,-1.6 -2,-0.5 2,-0.7 -0.949 12.6-139.7-113.9 128.8 14.5 26.1 -9.3 86 89 A S E -H 48 0B 54 -17,-3.0 -17,-0.3 -2,-0.5 -38,-0.2 -0.784 20.2-138.5 -88.6 112.8 15.5 29.8 -9.0 87 90 A L E - 0 0 17 -40,-2.6 3,-0.1 -2,-0.7 4,-0.0 -0.480 3.7-141.3 -74.1 139.5 12.9 31.6 -6.9 88 91 A P E S+ 0 0 70 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.789 87.5 29.0 -72.7 -24.3 12.0 35.0 -8.3 89 92 A I E S- 0 0 111 -43,-0.1 -43,-0.1 -42,-0.0 2,-0.0 -0.997 91.7-109.7-137.6 129.7 11.8 36.6 -4.8 90 93 A A E - 0 0 28 -2,-0.4 2,-0.3 -3,-0.1 -43,-0.2 -0.325 37.5-137.1 -58.3 139.1 13.7 35.6 -1.7 91 94 A L E 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-41.7 16.0 -7.1 -10.4 600 603 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.932 109.5 53.7 -59.9 -45.5 15.5 -10.4 -12.3 601 604 A G H X>S+ 0 0 3 -4,-2.1 5,-2.6 -5,-0.3 4,-0.6 0.916 111.6 43.6 -51.2 -52.3 18.2 -9.3 -14.7 602 605 A K H ><5S+ 0 0 125 -4,-2.0 3,-0.8 3,-0.2 -1,-0.2 0.902 112.8 53.1 -58.3 -46.0 20.7 -8.6 -11.9 603 606 A D H 3<5S+ 0 0 31 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.932 117.5 37.3 -53.4 -47.6 19.6 -11.9 -10.2 604 607 A L H 3<5S- 0 0 14 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.415 106.4-126.5 -82.3 -3.9 20.3 -13.8 -13.5 605 608 A K T <<5 + 0 0 190 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.912 61.6 144.9 48.3 48.9 23.4 -11.7 -14.4 606 609 A V < 0 0 21 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.902 360.0 360.0-122.5 155.8 21.8 -10.9 -17.8 607 610 A D 0 0 173 -2,-0.3 -5,-0.0 -3,-0.1 -21,-0.0 -0.566 360.0 360.0 48.7 360.0 22.0 -7.8 -19.9