==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-SEP-12 4BAT . COMPND 2 MOLECULE: PROBABLE EPOXIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR J.W.SCHMIDBERGER,R.SCHNELL,G.SCHNEIDER . 296 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 3 1 0 0 0 1 3 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D 0 0 195 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.2 11.3 59.0 15.1 2 5 A P - 0 0 99 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.322 360.0-102.3 -69.1 159.2 14.2 58.1 17.4 3 6 A L S S- 0 0 46 1,-0.2 42,-0.1 45,-0.0 41,-0.0 -0.707 91.5 -17.8 -83.0 129.7 15.5 54.6 17.8 4 7 A L S > S- 0 0 7 -2,-0.5 3,-1.9 40,-0.3 -1,-0.2 0.904 81.0-152.5 42.3 59.6 14.5 52.9 21.0 5 8 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.315 73.9 9.0 -61.9 135.7 13.5 55.9 22.9 6 9 A G T 3 S+ 0 0 65 1,-0.3 2,-0.3 18,-0.0 19,-0.2 0.478 88.8 141.7 77.9 1.4 13.9 55.5 26.7 7 10 A F < - 0 0 19 -3,-1.9 2,-0.6 17,-0.1 -1,-0.3 -0.613 46.0-138.0 -77.9 137.5 15.7 52.2 26.5 8 11 A D E -A 23 0A 101 15,-2.7 15,-2.2 -2,-0.3 2,-0.5 -0.868 14.3-139.9-100.4 119.5 18.5 51.8 29.1 9 12 A Y E +A 22 0A 94 -2,-0.6 2,-0.3 13,-0.2 13,-0.2 -0.739 27.5 175.4 -89.4 123.8 21.7 50.1 27.7 10 13 A L E -A 21 0A 47 11,-3.1 11,-2.3 -2,-0.5 2,-0.5 -0.861 28.3-146.1-123.9 156.7 23.4 47.6 30.0 11 14 A T E -A 20 0A 50 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.981 22.9-159.2-122.4 116.3 26.3 45.2 29.8 12 15 A L E -A 19 0A 17 7,-2.8 7,-2.9 -2,-0.5 2,-0.7 -0.783 8.1-146.2-100.7 140.4 25.7 42.1 31.9 13 16 A H E +A 18 0A 128 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.913 28.4 172.4-108.6 108.7 28.5 39.8 33.1 14 17 A T - 0 0 12 3,-2.8 3,-0.1 -2,-0.7 71,-0.1 -0.500 49.0 -86.9-113.3-179.7 27.4 36.3 33.2 15 18 A S S S+ 0 0 91 1,-0.2 3,-0.1 -2,-0.2 70,-0.0 0.859 122.3 11.1 -59.5 -33.7 29.2 33.0 33.8 16 19 A A S S+ 0 0 34 65,-0.1 54,-2.3 1,-0.1 55,-0.5 0.304 124.8 38.1-127.8 1.4 30.3 32.5 30.2 17 20 A A E - B 0 69A 0 52,-0.3 -3,-2.8 53,-0.1 2,-0.5 -0.984 59.2-131.4-154.3 160.3 29.6 35.8 28.4 18 21 A R E -AB 13 68A 108 50,-2.7 50,-2.7 -2,-0.3 2,-0.4 -0.994 42.1-161.4-115.2 113.8 29.5 39.6 28.4 19 22 A L E -A 12 0A 3 -7,-2.9 -7,-2.8 -2,-0.5 2,-0.5 -0.874 18.6-140.3-113.6 132.4 26.0 40.5 27.1 20 23 A R E +A 11 0A 44 -2,-0.4 40,-2.5 40,-0.2 2,-0.3 -0.783 32.6 172.6 -85.9 128.5 24.6 43.7 25.6 21 24 A V E -AC 10 59A 0 -11,-2.3 -11,-3.1 -2,-0.5 2,-0.4 -0.959 20.5-161.7-135.3 147.7 21.0 44.3 26.8 22 25 A A E -AC 9 58A 0 36,-2.4 36,-2.9 -2,-0.3 2,-0.3 -0.997 16.9-172.3-131.5 134.8 18.6 47.2 26.5 23 26 A V E +AC 8 57A 31 -15,-2.2 -15,-2.7 -2,-0.4 2,-0.3 -0.916 13.7 158.3-131.9 148.3 15.6 47.5 28.8 24 27 A K E + C 0 56A 79 32,-2.0 32,-3.1 -2,-0.3 -17,-0.1 -0.954 38.6 29.1-160.1 149.3 12.5 49.6 29.1 25 28 A G - 0 0 43 -2,-0.3 2,-0.3 30,-0.2 30,-0.3 -0.271 59.0-104.3 102.8 178.0 9.1 49.3 30.8 26 29 A S + 0 0 92 25,-0.4 -2,-0.0 28,-0.4 30,-0.0 -0.945 66.8 52.5-144.0 160.9 7.3 47.8 33.7 27 30 A G S S+ 0 0 39 -2,-0.3 27,-0.2 27,-0.2 28,-0.1 -0.702 96.1 5.4 105.4-163.8 4.9 44.9 34.1 28 31 A P S S- 0 0 53 0, 0.0 27,-2.0 0, 0.0 2,-0.3 -0.243 84.3-108.6 -58.1 141.8 5.2 41.3 32.9 29 32 A P E -d 55 0A 20 0, 0.0 70,-2.5 0, 0.0 2,-0.4 -0.525 32.4-175.4 -83.0 138.6 8.6 40.5 31.3 30 33 A L E -de 56 99A 0 25,-3.0 27,-2.7 -2,-0.3 2,-0.5 -0.993 10.2-157.1-126.3 132.9 9.2 39.9 27.6 31 34 A L E -de 57 100A 0 68,-2.6 70,-3.0 -2,-0.4 2,-0.5 -0.944 9.7-159.4-111.4 120.0 12.6 38.9 26.2 32 35 A L E -de 58 101A 0 25,-2.8 27,-1.3 -2,-0.5 2,-0.5 -0.941 5.3-165.9-108.2 124.8 13.0 39.7 22.5 33 36 A L E -de 59 102A 0 68,-2.4 70,-2.6 -2,-0.5 73,-0.2 -0.955 5.5-153.9-121.3 111.6 15.7 37.8 20.6 34 37 A H - 0 0 0 25,-0.6 72,-0.2 -2,-0.5 2,-0.1 -0.081 10.8-143.8 -70.8 175.9 17.0 38.9 17.1 35 38 A G > - 0 0 0 4,-0.2 3,-2.0 70,-0.2 69,-0.1 -0.390 37.6 -6.0-126.5-158.1 18.5 36.8 14.4 36 39 A Y T 3 S- 0 0 2 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.688 116.5 -1.6 -90.1 143.4 21.1 36.7 11.7 37 40 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 161,-0.1 -0.433 118.0 79.1 -98.3 58.7 22.9 38.9 10.6 38 41 A Q < - 0 0 1 -3,-2.0 27,-0.3 159,-0.1 2,-0.2 -0.225 59.2-133.9-118.6-165.2 21.4 41.5 12.9 39 42 A T > - 0 0 1 25,-0.1 3,-2.2 -2,-0.1 -4,-0.2 -0.811 50.9 -73.7-143.5-177.4 21.4 42.8 16.5 40 43 A H G > S+ 0 0 3 1,-0.3 3,-1.8 -2,-0.2 20,-0.1 0.689 117.6 79.1 -60.7 -19.0 18.8 43.8 19.1 41 44 A L G > S+ 0 0 16 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.695 70.9 81.9 -65.1 -16.0 18.1 46.9 17.0 42 45 A A G < S+ 0 0 0 -3,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.719 86.2 59.9 -57.9 -22.4 16.0 44.8 14.7 43 46 A W G X> + 0 0 1 -3,-1.8 4,-2.9 1,-0.2 3,-1.9 0.300 69.6 111.5 -86.5 7.0 13.3 45.2 17.3 44 47 A H T <4 S+ 0 0 18 -3,-2.1 -40,-0.3 1,-0.3 -1,-0.2 0.735 78.1 47.1 -63.1 -20.7 13.2 49.0 17.0 45 48 A R T 34 S+ 0 0 85 -3,-0.4 -1,-0.3 229,-0.2 -2,-0.1 0.502 124.1 31.4 -91.5 -9.3 9.7 49.1 15.4 46 49 A I T <> S+ 0 0 0 -3,-1.9 4,-1.9 2,-0.1 3,-0.3 0.720 104.8 65.1-112.5 -45.5 8.2 46.7 17.9 47 50 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.864 95.9 57.4 -62.8 -38.8 9.9 47.1 21.3 48 51 A P H 4 S+ 0 0 36 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.936 108.8 46.9 -58.2 -45.9 8.7 50.7 22.0 49 52 A R H >4 S+ 0 0 84 -3,-0.3 3,-1.4 1,-0.2 4,-0.3 0.931 112.3 49.4 -61.8 -44.8 5.0 49.8 21.7 50 53 A L H >X S+ 0 0 0 -4,-1.9 3,-1.9 1,-0.3 4,-1.7 0.883 101.7 63.5 -62.1 -35.0 5.5 46.7 23.9 51 54 A A T 3< S+ 0 0 5 -4,-2.3 -25,-0.4 1,-0.3 -1,-0.3 0.608 87.5 72.2 -68.0 -10.6 7.3 48.7 26.5 52 55 A E T <4 S+ 0 0 130 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.743 119.2 14.1 -69.8 -23.9 4.1 50.7 27.1 53 56 A D T <4 S+ 0 0 83 -3,-1.9 2,-0.3 -4,-0.3 -2,-0.2 0.475 125.6 42.8-128.1 -12.8 2.5 47.7 28.8 54 57 A Y S < S- 0 0 26 -4,-1.7 2,-0.7 -27,-0.2 -28,-0.4 -0.900 81.3-100.2-135.6 162.7 5.3 45.2 29.5 55 58 A S E - d 0 29A 15 -27,-2.0 -25,-3.0 -2,-0.3 2,-0.5 -0.806 47.6-159.0 -80.2 111.4 8.9 44.9 30.9 56 59 A V E -Cd 24 30A 1 -32,-3.1 -32,-2.0 -2,-0.7 2,-0.5 -0.854 14.9-174.5-108.0 127.1 10.9 44.6 27.7 57 60 A V E -Cd 23 31A 3 -27,-2.7 -25,-2.8 -2,-0.5 2,-0.4 -0.981 2.4-171.3-119.1 121.4 14.4 43.1 27.5 58 61 A L E -Cd 22 32A 0 -36,-2.9 -36,-2.4 -2,-0.5 2,-0.4 -0.897 11.3-176.3-108.8 132.6 16.3 43.2 24.2 59 62 A A E -Cd 21 33A 1 -27,-1.3 -25,-0.6 -2,-0.4 2,-0.5 -0.995 28.8-128.7-131.0 147.8 19.6 41.3 24.0 60 63 A D - 0 0 2 -40,-2.5 -40,-0.2 -2,-0.4 3,-0.1 -0.779 42.2-115.8 -82.1 130.7 22.4 40.7 21.5 61 64 A L > - 0 0 0 -2,-0.5 3,-2.6 1,-0.2 6,-0.3 -0.328 47.2 -75.0 -62.3 152.1 22.8 37.0 21.1 62 65 A R T 3 S+ 0 0 15 1,-0.3 6,-0.2 6,-0.1 -1,-0.2 -0.227 122.6 10.4 -52.4 123.1 26.2 35.6 22.3 63 66 A G T 3 S+ 0 0 5 4,-0.6 143,-0.3 1,-0.4 -1,-0.3 0.111 110.3 98.2 93.0 -21.8 28.7 36.5 19.7 64 67 A Y S X S- 0 0 2 -3,-2.6 3,-2.3 142,-0.1 -1,-0.4 -0.608 89.6 -15.7 -92.9 157.7 26.4 38.9 17.7 65 68 A G T 3 S- 0 0 12 -27,-0.3 -26,-0.1 1,-0.3 138,-0.1 -0.271 131.2 -23.9 58.6-127.0 26.3 42.6 18.0 66 69 A E T 3 S+ 0 0 87 -46,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.314 110.6 106.4-101.6 4.5 28.2 43.7 21.2 67 70 A S < - 0 0 1 -3,-2.3 -4,-0.6 -6,-0.3 2,-0.4 -0.700 47.9-177.4 -86.8 137.6 27.8 40.4 23.1 68 71 A R E -B 18 0A 108 -50,-2.7 -50,-2.7 -2,-0.3 2,-0.2 -0.992 29.1-119.1-138.3 147.3 30.8 38.2 23.4 69 72 A A E -B 17 0A 6 -2,-0.4 -52,-0.3 -52,-0.2 6,-0.1 -0.530 21.7-136.2 -71.9 145.0 31.7 34.9 24.8 70 73 A L S S+ 0 0 111 -54,-2.3 2,-0.9 -2,-0.2 -53,-0.1 0.809 97.8 66.7 -70.8 -29.2 34.4 35.1 27.6 71 74 A D > + 0 0 81 -55,-0.5 4,-0.7 1,-0.2 -2,-0.1 -0.797 64.4 177.2 -88.4 102.9 36.2 32.1 26.0 72 75 A E T 4 S+ 0 0 102 -2,-0.9 -1,-0.2 2,-0.1 -2,-0.1 0.498 72.9 52.9 -93.8 9.2 37.3 33.6 22.7 73 76 A E T 4 S- 0 0 190 -3,-0.0 -1,-0.1 1,-0.0 -2,-0.1 0.836 129.4 -1.2 -98.8 -41.5 39.2 30.5 21.6 74 77 A G T 4 S+ 0 0 57 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.091 79.5 164.2-147.4 38.0 36.6 27.7 21.9 75 78 A A < - 0 0 13 -4,-0.7 2,-0.6 1,-0.1 -3,-0.0 -0.144 41.7-110.6 -65.2 158.3 33.3 29.0 23.2 76 79 A D + 0 0 76 1,-0.1 -1,-0.1 2,-0.0 -5,-0.1 -0.773 34.0 173.5 -87.5 117.8 30.0 27.1 23.0 77 80 A Y + 0 0 19 -2,-0.6 -1,-0.1 132,-0.1 136,-0.1 0.089 33.5 131.7-112.9 22.7 27.6 28.8 20.5 78 81 A S S > S- 0 0 8 1,-0.1 4,-2.2 135,-0.1 3,-0.3 -0.328 71.7-114.1 -66.4 155.3 24.9 26.1 20.7 79 82 A K H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.848 117.9 59.2 -59.4 -33.6 21.3 27.2 21.2 80 83 A A H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.897 107.0 46.3 -60.2 -41.4 21.4 25.4 24.6 81 84 A A H > S+ 0 0 2 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.919 113.2 47.8 -68.2 -43.8 24.3 27.7 25.7 82 85 A L H X S+ 0 0 4 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.842 107.9 57.2 -67.7 -29.6 22.6 30.8 24.4 83 86 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 3,-0.3 0.917 105.1 50.6 -63.8 -43.1 19.4 29.6 26.2 84 87 A R H X S+ 0 0 104 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.900 104.5 58.3 -62.8 -35.8 21.4 29.5 29.5 85 88 A D H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.877 106.0 50.0 -56.5 -39.6 22.6 33.1 28.7 86 89 A Q H X S+ 0 0 2 -4,-1.4 4,-2.7 -3,-0.3 5,-0.3 0.898 107.9 51.4 -68.1 -41.6 18.9 34.1 28.6 87 90 A L H X S+ 0 0 50 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.928 114.5 44.1 -57.6 -47.4 18.1 32.4 31.9 88 91 A E H X S+ 0 0 60 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.900 113.8 50.8 -66.1 -39.6 21.1 34.3 33.5 89 92 A T H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.962 114.8 40.7 -62.6 -54.2 20.2 37.6 31.9 90 93 A M H X>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 4,-0.8 0.914 114.8 53.9 -66.0 -37.9 16.6 37.6 32.9 91 94 A G H ><5S+ 0 0 22 -4,-2.4 3,-1.0 -5,-0.3 -1,-0.2 0.919 107.0 50.0 -60.4 -47.2 17.5 36.3 36.4 92 95 A Q H 3<5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.892 109.9 51.9 -58.3 -37.5 20.0 39.1 36.9 93 96 A L H 3<5S- 0 0 52 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.586 129.4 -96.0 -77.4 -10.4 17.3 41.6 35.9 94 97 A G T <<5S+ 0 0 59 -3,-1.0 2,-0.5 -4,-0.8 -3,-0.2 0.546 85.3 117.9 108.5 14.9 14.9 40.1 38.4 95 98 A F < + 0 0 48 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.2 -0.946 28.1 171.2-121.6 120.4 12.8 37.6 36.4 96 99 A E S S+ 0 0 153 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.558 82.0 33.1 -94.4 -12.3 12.6 33.8 36.9 97 100 A R S S+ 0 0 117 -7,-0.1 2,-0.3 24,-0.1 -1,-0.2 -0.988 74.1 148.6-148.6 134.9 9.8 33.4 34.4 98 101 A F E - 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