==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-09 3FUJ . COMPND 2 MOLECULE: LEUKOTRIENE A-4 HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.DAVIES . 606 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 71.9 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 . 91 15.0 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 . 3 0.5 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 . 43 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.9 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 . 10 1.7 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 2 1 1 0 2 0 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 0 168 0, 0.0 2,-1.1 0, 0.0 306,-0.0 0.000 360.0 360.0 360.0 116.0 -19.4 13.3 6.4 2 5 A D > - 0 0 28 1,-0.1 3,-1.6 305,-0.1 305,-0.0 -0.742 360.0-174.5 -92.2 95.7 -21.3 11.4 3.7 3 6 A T T 3 S+ 0 0 42 -2,-1.1 365,-0.4 1,-0.3 -1,-0.1 0.409 78.6 62.6 -75.1 4.5 -18.6 9.9 1.6 4 7 A C T 3 S+ 0 0 1 363,-0.1 2,-0.4 364,-0.1 -1,-0.3 0.486 96.6 69.5 -99.9 -5.5 -21.2 8.6 -0.9 5 8 A S < - 0 0 20 -3,-1.6 141,-0.1 1,-0.1 139,-0.1 -0.897 52.4-169.1-120.6 141.3 -22.4 12.1 -1.9 6 9 A L + 0 0 35 -2,-0.4 -1,-0.1 73,-0.2 138,-0.1 0.358 61.3 106.2-101.9 0.1 -20.6 14.9 -3.8 7 10 A A S S- 0 0 12 1,-0.1 44,-0.2 136,-0.1 -2,-0.1 -0.282 87.7 -81.9 -75.7 164.8 -23.3 17.4 -2.9 8 11 A S - 0 0 13 42,-2.5 -1,-0.1 1,-0.1 44,-0.1 -0.418 59.0-115.6 -59.1 137.4 -23.0 20.3 -0.4 9 12 A P >> - 0 0 67 0, 0.0 3,-2.0 0, 0.0 4,-1.9 -0.248 22.6 -99.3 -77.7 173.2 -23.7 18.7 3.1 10 13 A A T 34 S+ 0 0 16 1,-0.3 -2,-0.1 2,-0.2 134,-0.0 0.719 120.3 64.4 -64.0 -25.5 -26.5 19.5 5.4 11 14 A S T 34 S+ 0 0 84 1,-0.1 -1,-0.3 30,-0.0 3,-0.1 0.667 109.9 39.7 -71.6 -15.2 -24.3 21.8 7.5 12 15 A V T <4 S- 0 0 25 -3,-2.0 30,-2.9 1,-0.4 31,-0.5 0.840 131.9 -23.2 -99.1 -51.1 -24.1 24.1 4.4 13 16 A C E < -A 41 0A 1 -4,-1.9 -1,-0.4 28,-0.3 2,-0.4 -0.981 57.5-147.2-154.6 159.7 -27.6 24.0 2.9 14 17 A R E -A 40 0A 78 26,-2.6 26,-3.0 -2,-0.3 2,-0.4 -0.979 16.3-127.3-142.3 137.1 -30.6 21.8 3.0 15 18 A T E +A 39 0A 5 -2,-0.4 24,-0.3 24,-0.2 3,-0.1 -0.596 24.0 177.3 -71.0 125.0 -33.4 20.9 0.6 16 19 A K E + 0 0 78 22,-3.1 136,-2.4 -2,-0.4 2,-0.3 0.721 65.9 6.1 -95.9 -30.0 -36.8 21.4 2.3 17 20 A H E -Ab 38 152A 45 21,-1.2 21,-2.9 134,-0.3 2,-0.4 -0.995 54.4-153.9-156.3 148.4 -39.0 20.5 -0.7 18 21 A L E -Ab 37 153A 3 134,-1.6 136,-2.4 -2,-0.3 2,-0.6 -0.996 3.9-165.7-123.8 126.8 -38.9 19.1 -4.3 19 22 A H E -Ab 36 154A 55 17,-2.8 17,-2.6 -2,-0.4 2,-0.5 -0.950 15.6-164.9-108.5 114.4 -41.6 19.9 -6.9 20 23 A L E +Ab 35 155A 9 134,-2.7 136,-2.3 -2,-0.6 2,-0.5 -0.848 13.8 177.3-102.7 121.6 -41.1 17.4 -9.8 21 24 A R E +Ab 34 156A 102 13,-2.7 13,-2.8 -2,-0.5 2,-0.3 -0.965 25.6 146.9-121.7 111.4 -42.8 18.1 -13.1 22 25 A C E -Ab 33 157A 11 134,-2.4 136,-2.8 -2,-0.5 2,-0.4 -0.915 39.6-140.7-144.0 168.2 -41.8 15.4 -15.7 23 26 A S E -Ab 32 158A 38 9,-2.0 9,-2.0 -2,-0.3 2,-0.7 -0.996 19.9-136.4-131.6 135.7 -42.9 13.4 -18.7 24 27 A V E -A 31 0A 0 134,-2.7 2,-0.8 -2,-0.4 7,-0.2 -0.845 17.3-163.8 -97.5 113.4 -42.0 9.7 -19.2 25 28 A D E >> -A 30 0A 41 5,-3.0 5,-1.7 -2,-0.7 4,-1.5 -0.844 12.5-179.8-103.3 102.0 -41.0 9.1 -22.8 26 29 A F T 45S+ 0 0 18 -2,-0.8 -1,-0.2 2,-0.2 101,-0.1 0.769 81.5 60.5 -70.5 -25.8 -41.1 5.4 -23.7 27 30 A T T 45S+ 0 0 125 1,-0.2 -1,-0.2 3,-0.1 -2,-0.1 0.963 121.1 24.7 -67.4 -43.6 -39.9 6.0 -27.3 28 31 A R T 45S- 0 0 121 2,-0.2 -2,-0.2 79,-0.0 -1,-0.2 0.589 100.6-128.4 -94.8 -7.5 -36.7 7.6 -26.0 29 32 A R T <5 + 0 0 71 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.932 67.7 126.0 52.4 49.1 -36.5 5.8 -22.6 30 33 A T E < -A 25 0A 3 -5,-1.7 -5,-3.0 77,-0.1 2,-0.5 -0.970 57.1-145.1-129.9 151.0 -36.0 9.3 -20.9 31 34 A L E -A 24 0A 4 -2,-0.3 74,-2.6 -7,-0.2 2,-0.4 -0.976 28.9-176.0-105.0 131.7 -37.7 11.2 -18.2 32 35 A T E +AC 23 104A 55 -9,-2.0 -9,-2.0 -2,-0.5 2,-0.3 -0.976 27.2 77.7-129.2 140.3 -37.6 14.9 -19.0 33 36 A G E -AC 22 103A 18 70,-2.3 70,-2.2 -2,-0.4 2,-0.4 -0.973 69.0 -50.4 165.0-149.4 -38.8 17.9 -17.0 34 37 A T E -AC 21 102A 19 -13,-2.8 -13,-2.7 -2,-0.3 2,-0.6 -0.982 24.0-158.8-128.7 137.6 -38.0 20.2 -14.1 35 38 A A E -AC 20 101A 0 66,-2.3 66,-2.9 -2,-0.4 2,-0.7 -0.974 13.0-163.6-112.3 111.7 -37.0 19.6 -10.5 36 39 A A E -AC 19 100A 8 -17,-2.6 -17,-2.8 -2,-0.6 2,-0.6 -0.880 9.3-166.1 -96.8 107.2 -37.8 22.7 -8.4 37 40 A L E -AC 18 99A 3 62,-3.0 62,-2.7 -2,-0.7 2,-0.7 -0.855 13.6-150.1 -99.4 121.9 -35.8 22.4 -5.1 38 41 A T E -AC 17 98A 32 -21,-2.9 -22,-3.1 -2,-0.6 -21,-1.2 -0.846 27.2-169.5 -88.6 116.4 -36.6 24.7 -2.2 39 42 A V E -AC 15 97A 4 58,-3.0 58,-2.5 -2,-0.7 2,-0.5 -0.916 16.2-154.4-119.2 134.2 -33.3 25.1 -0.5 40 43 A Q E -AC 14 96A 32 -26,-3.0 -26,-2.6 -2,-0.4 56,-0.2 -0.908 19.2-131.0-108.2 123.6 -32.5 26.6 2.9 41 44 A S E -A 13 0A 0 54,-2.7 53,-2.8 -2,-0.5 -28,-0.3 -0.472 17.4-172.7 -68.2 139.7 -29.1 28.1 3.5 42 45 A Q + 0 0 36 -30,-2.9 2,-0.3 51,-0.2 -29,-0.2 0.281 68.0 62.8-108.5 5.8 -27.4 27.0 6.8 43 46 A E S > S- 0 0 79 -31,-0.5 3,-0.5 49,-0.2 2,-0.2 -0.942 83.2-111.3-128.5 152.4 -24.5 29.5 6.3 44 47 A D T 3 S+ 0 0 117 -2,-0.3 48,-0.2 1,-0.2 47,-0.1 -0.533 99.5 13.3 -71.9 146.9 -24.1 33.3 6.1 45 48 A N T 3 S- 0 0 83 46,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.874 80.1-179.1 61.0 45.5 -23.0 34.7 2.7 46 49 A L E < +H 91 0B 9 45,-2.6 45,-2.2 -3,-0.5 -1,-0.2 -0.673 13.0 164.2 -85.5 123.2 -23.8 31.5 0.8 47 50 A R E + 0 0 156 -2,-0.6 40,-2.1 1,-0.2 2,-0.3 0.555 58.4 13.8-118.7 -10.6 -23.0 32.1 -2.9 48 51 A S E -H 86 0B 45 38,-0.2 2,-0.3 40,-0.0 -1,-0.2 -0.973 55.1-170.3-153.7 167.0 -22.9 28.6 -4.4 49 52 A L E -H 85 0B 3 36,-1.6 36,-3.3 -2,-0.3 2,-0.4 -0.981 17.1-128.6-157.4 164.6 -23.8 25.0 -3.8 50 53 A V E -H 84 0B 29 -2,-0.3 -42,-2.5 34,-0.2 2,-0.3 -0.924 16.4-166.1-123.0 136.5 -23.3 21.6 -5.3 51 54 A L E -H 83 0B 2 32,-2.5 32,-2.9 -2,-0.4 2,-0.3 -0.854 24.8-113.5-115.3 156.4 -25.8 18.8 -6.2 52 55 A D E +HI 82 143B 0 91,-2.7 91,-1.5 -2,-0.3 2,-0.3 -0.675 39.2 169.3 -80.8 140.9 -25.3 15.2 -7.1 53 56 A T E -H 81 0B 2 28,-0.7 28,-1.7 -2,-0.3 2,-0.3 -0.976 17.1-165.0-142.1 161.2 -26.1 14.0 -10.6 54 57 A K S S- 0 0 15 84,-1.8 52,-0.3 -2,-0.3 56,-0.1 -0.838 74.3 -24.3-150.7 113.5 -25.5 10.9 -12.6 55 58 A D S S+ 0 0 40 -2,-0.3 51,-0.6 1,-0.2 2,-0.4 0.873 94.5 146.8 57.6 36.4 -25.8 10.5 -16.3 56 59 A L E -D 105 0A 16 49,-0.2 2,-0.6 25,-0.1 -1,-0.2 -0.849 45.7-141.0-102.5 144.6 -28.2 13.5 -16.4 57 60 A T E -D 104 0A 86 47,-2.7 47,-1.6 -2,-0.4 2,-0.6 -0.920 18.4-153.4 -99.9 119.2 -28.4 16.1 -19.3 58 61 A I E +D 103 0A 17 -2,-0.6 45,-0.2 45,-0.2 3,-0.1 -0.864 18.1 178.4 -97.9 123.7 -28.9 19.6 -17.8 59 62 A E E - 0 0 145 43,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.870 63.4 -33.3 -86.4 -46.6 -30.7 22.1 -20.1 60 63 A K E -D 102 0A 68 42,-1.1 42,-2.7 2,-0.0 2,-0.4 -0.983 44.7-130.5-166.2 167.5 -30.7 25.1 -17.7 61 64 A V E -D 101 0A 1 7,-0.4 7,-2.5 -2,-0.3 2,-0.4 -0.994 24.2-166.0-130.3 125.5 -31.0 26.3 -14.1 62 65 A V E +DE 100 67A 24 38,-2.8 38,-3.0 -2,-0.4 2,-0.4 -0.932 14.1 167.3-122.2 130.3 -33.4 29.1 -13.2 63 66 A I E > S- E 0 66A 3 3,-2.4 3,-1.8 -2,-0.4 36,-0.1 -0.993 77.0 -0.6-137.9 132.9 -33.6 31.2 -10.0 64 67 A N T 3 S- 0 0 112 34,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.832 130.8 -59.6 56.3 32.9 -35.8 34.3 -9.6 65 68 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.501 117.5 101.0 78.2 3.2 -36.9 33.9 -13.2 66 69 A Q E < S-E 63 0A 133 -3,-1.8 -3,-2.4 0, 0.0 -1,-0.2 -0.944 75.9-111.2-119.9 145.8 -33.4 34.1 -14.7 67 70 A E E -E 62 0A 136 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.478 38.2-161.8 -66.0 139.6 -30.9 31.5 -16.0 68 71 A V - 0 0 18 -7,-2.5 -7,-0.4 -2,-0.2 2,-0.2 -0.798 23.0 -91.5-123.0 163.4 -27.9 31.2 -13.8 69 72 A K + 0 0 159 17,-0.3 17,-2.9 -2,-0.3 2,-0.3 -0.494 45.7 166.3 -76.6 144.1 -24.4 29.7 -14.2 70 73 A Y E -J 85 0B 79 15,-0.2 2,-0.3 -2,-0.2 15,-0.2 -0.962 17.2-155.7-148.4 161.6 -23.7 26.1 -13.3 71 74 A A E -J 84 0B 58 13,-2.1 13,-2.8 -2,-0.3 2,-0.6 -0.998 10.5-142.0-143.5 137.6 -20.8 23.7 -14.0 72 75 A L E -J 83 0B 75 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.907 23.3-145.8-100.2 121.5 -20.7 19.9 -14.1 73 76 A G - 0 0 35 9,-3.1 3,-0.1 -2,-0.6 2,-0.0 -0.132 36.8 -67.0 -75.0 177.6 -17.5 18.4 -12.7 74 77 A E - 0 0 172 1,-0.1 -1,-0.2 7,-0.1 2,-0.1 -0.333 60.9 -98.0 -63.9 144.5 -15.6 15.3 -13.9 75 78 A R - 0 0 103 6,-0.2 2,-0.5 -3,-0.1 6,-0.2 -0.418 27.1-156.0 -66.4 137.8 -17.4 12.0 -13.3 76 79 A Q > - 0 0 92 4,-3.2 3,-2.0 1,-0.3 4,-0.3 -0.656 41.4-104.6-113.4 69.3 -16.3 10.1 -10.2 77 80 A S G > S+ 0 0 85 -2,-0.5 3,-1.9 1,-0.3 -1,-0.3 -0.109 96.6 0.8 51.1-133.0 -17.3 6.6 -11.2 78 81 A Y G 3 S+ 0 0 34 1,-0.3 -1,-0.3 -3,-0.1 57,-0.0 0.607 127.4 66.6 -65.6 -13.7 -20.5 5.2 -9.5 79 82 A K G < S- 0 0 20 -3,-2.0 -26,-0.3 1,-0.3 -1,-0.3 0.634 95.7-149.0 -79.5 -15.0 -20.9 8.6 -7.6 80 83 A G < - 0 0 0 -3,-1.9 -4,-3.2 -4,-0.3 -1,-0.3 -0.471 33.7 -40.4 80.6-152.6 -21.6 10.4 -10.8 81 84 A S E -H 53 0B 21 -28,-1.7 -28,-0.7 -6,-0.2 2,-0.2 -0.950 51.1-124.5-121.3 131.8 -20.8 14.1 -11.5 82 85 A P E -H 52 0B 25 0, 0.0 -9,-3.1 0, 0.0 2,-0.6 -0.494 18.5-150.5 -76.0 141.4 -21.1 17.1 -9.1 83 86 A M E -HJ 51 72B 0 -32,-2.9 -32,-2.5 -11,-0.2 2,-0.5 -0.931 7.0-160.5-114.5 110.2 -23.1 20.0 -10.3 84 87 A E E -HJ 50 71B 91 -13,-2.8 -13,-2.1 -2,-0.6 2,-0.4 -0.792 6.8-158.7 -93.5 130.3 -22.1 23.4 -8.9 85 88 A I E -HJ 49 70B 0 -36,-3.3 -36,-1.6 -2,-0.5 2,-0.7 -0.913 11.0-140.0-114.2 129.6 -24.7 26.2 -9.1 86 89 A S E -H 48 0B 56 -17,-2.9 -17,-0.3 -2,-0.4 -38,-0.2 -0.798 20.2-141.5 -90.0 108.9 -23.8 29.9 -9.0 87 90 A L E - 0 0 18 -40,-2.1 3,-0.1 -2,-0.7 -17,-0.0 -0.508 3.7-142.1 -72.5 139.3 -26.4 31.7 -6.8 88 91 A P E S+ 0 0 70 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.794 86.7 28.9 -75.8 -25.5 -27.3 35.1 -8.2 89 92 A I E S- 0 0 111 -43,-0.1 -43,-0.1 -42,-0.0 2,-0.0 -0.999 91.6-109.9-133.0 131.8 -27.6 36.8 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-28.8 -2.1 -14.8 595 598 A V H > S+ 0 0 6 -485,-0.3 4,-2.7 2,-0.2 5,-0.2 0.929 115.0 48.3 -75.5 -45.3 -27.6 -2.8 -11.2 596 599 A T H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.903 111.0 51.2 -57.6 -43.3 -28.2 -6.5 -11.5 597 600 A A H X S+ 0 0 14 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.910 110.6 50.3 -61.4 -41.7 -26.4 -6.6 -14.9 598 601 A M H X S+ 0 0 60 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.932 114.4 41.9 -61.6 -48.8 -23.4 -4.8 -13.3 599 602 A L H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.892 112.7 50.8 -72.3 -41.1 -23.1 -7.1 -10.3 600 603 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.935 109.7 52.9 -60.5 -42.6 -23.6 -10.4 -12.2 601 604 A G H X>S+ 0 0 3 -4,-1.9 5,-2.6 -5,-0.3 4,-0.6 0.915 111.5 45.5 -57.4 -47.9 -20.9 -9.3 -14.7 602 605 A K H ><5S+ 0 0 121 -4,-1.9 3,-0.6 3,-0.2 -1,-0.2 0.878 112.1 51.7 -61.3 -41.8 -18.5 -8.7 -11.8 603 606 A D H 3<5S+ 0 0 25 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.889 115.9 40.8 -61.0 -40.2 -19.4 -12.0 -10.1 604 607 A L H 3<5S- 0 0 14 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.445 108.8-123.0 -87.3 -4.1 -18.7 -13.9 -13.4 605 608 A K T <<5 0 0 178 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.871 360.0 360.0 58.5 38.9 -15.6 -11.8 -14.2 606 609 A V < 0 0 76 -5,-2.6 -1,-0.2 -6,-0.2 -5,-0.0 -0.202 360.0 360.0-122.7 360.0 -17.1 -10.8 -17.5