==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-FEB-13 3ZO7 . COMPND 2 MOLECULE: 5-CHLOROMUCONOLACTONE DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS OPACUS; . AUTHOR C.ROTH,J.A.D.GROENING,S.R.KASCHABEK,M.SCHLOEMANN,N.STRAETER . 921 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 709 77.0 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 . 274 29.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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-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 . 72 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 258 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 0 1 9 0 0 0 0 0 0 0 1 0 5 4 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 . 0 3 7 0 10 0 13 7 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 5 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 1 A M 0 0 51 0, 0.0 57,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 165.6 33.1 69.0 2.0 2 2 A L E +A 57 0A 26 82,-0.5 82,-2.6 55,-0.2 2,-0.4 -0.602 360.0 179.3-100.0 139.2 33.8 66.1 4.4 3 3 A Y E -AB 56 83A 0 53,-1.8 53,-2.2 -2,-0.3 2,-0.6 -1.000 23.1-139.3-130.6 133.4 36.5 65.5 7.0 4 4 A L E -AB 55 82A 7 78,-3.1 78,-1.8 -2,-0.4 2,-0.5 -0.835 28.2-172.7 -88.2 120.1 36.9 62.5 9.2 5 5 A V E -AB 54 81A 0 49,-3.1 49,-2.8 -2,-0.6 2,-0.4 -0.962 11.7-164.5-122.2 122.6 37.9 63.8 12.7 6 6 A R E -AB 53 80A 61 74,-2.4 74,-2.1 -2,-0.5 2,-0.4 -0.894 9.2-167.9-104.1 134.1 38.9 61.7 15.6 7 7 A M E -AB 52 79A 3 45,-2.6 45,-1.9 -2,-0.4 2,-0.4 -0.982 7.7-175.2-125.9 131.0 39.0 63.2 19.1 8 8 A T E -AB 51 78A 42 70,-1.7 70,-2.3 -2,-0.4 2,-0.4 -0.991 17.2-142.4-126.5 126.8 40.6 61.8 22.2 9 9 A V E + B 0 77A 16 41,-3.2 2,-0.3 -2,-0.4 41,-0.2 -0.701 18.3 178.4 -92.1 134.2 40.2 63.5 25.6 10 10 A N - 0 0 101 66,-2.3 3,-0.0 -2,-0.4 -2,-0.0 -0.746 14.8-162.0-132.6 87.3 43.0 63.6 28.1 11 11 A L - 0 0 47 -2,-0.3 65,-0.0 1,-0.1 -2,-0.0 -0.489 23.4-117.6 -70.5 130.4 41.9 65.6 31.2 12 12 A P > - 0 0 21 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.385 26.8-119.9 -61.6 150.1 44.6 66.9 33.5 13 13 A R T 3 S+ 0 0 97 1,-0.3 -2,-0.1 -3,-0.0 0, 0.0 0.786 106.7 61.3 -70.4 -28.6 44.2 65.3 36.9 14 14 A N T 3 S+ 0 0 105 2,-0.1 2,-0.8 0, 0.0 -1,-0.3 0.164 72.1 115.1 -87.6 20.7 43.8 68.6 38.8 15 15 A L < - 0 0 20 -3,-1.2 5,-0.1 4,-0.0 -4,-0.0 -0.826 66.2-136.9 -87.7 109.3 40.7 69.5 36.9 16 16 A D > - 0 0 74 -2,-0.8 4,-2.0 1,-0.1 3,-0.4 -0.187 20.0-100.7 -73.5 160.8 38.0 69.4 39.6 17 17 A P H > S+ 0 0 109 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.822 121.3 48.8 -48.4 -44.7 34.5 67.8 39.3 18 18 A R H > S+ 0 0 137 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.896 108.7 53.7 -66.3 -40.3 32.7 71.1 38.7 19 19 A E H > S+ 0 0 76 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.897 113.6 43.4 -58.5 -40.5 35.3 72.2 36.1 20 20 A E H X S+ 0 0 55 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.899 112.1 52.2 -72.7 -41.2 34.6 68.9 34.2 21 21 A E H X S+ 0 0 119 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.912 113.4 44.8 -59.9 -42.6 30.8 69.1 34.7 22 22 A R H X S+ 0 0 128 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.855 112.6 51.3 -70.9 -36.3 30.8 72.6 33.2 23 23 A L H X S+ 0 0 28 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.913 109.5 50.5 -65.2 -44.0 33.2 71.6 30.4 24 24 A K H X S+ 0 0 94 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.884 111.7 47.0 -62.3 -41.3 30.9 68.7 29.5 25 25 A A H X S+ 0 0 61 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.851 111.6 51.4 -71.2 -35.5 27.8 70.9 29.4 26 26 A S H X S+ 0 0 58 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.935 111.4 47.0 -64.8 -47.7 29.6 73.5 27.3 27 27 A A H X S+ 0 0 21 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.924 110.8 51.7 -60.5 -46.8 30.8 70.9 24.8 28 28 A K H X S+ 0 0 117 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.909 113.1 45.5 -57.9 -43.4 27.3 69.4 24.5 29 29 A A H X S+ 0 0 57 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.916 113.5 49.2 -65.8 -44.6 25.8 72.8 23.9 30 30 A R H X S+ 0 0 80 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.910 112.7 47.0 -63.1 -43.6 28.4 73.7 21.3 31 31 A S H X S+ 0 0 4 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.864 106.5 58.0 -68.7 -35.9 28.1 70.5 19.4 32 32 A R H X S+ 0 0 122 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.943 108.5 47.1 -57.4 -46.8 24.3 70.7 19.4 33 33 A T H X S+ 0 0 57 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.946 112.9 47.8 -58.3 -51.1 24.6 74.1 17.6 34 34 A L H <>S+ 0 0 2 -4,-2.0 6,-1.9 1,-0.2 5,-1.4 0.821 112.8 48.5 -64.3 -33.7 27.1 72.8 15.1 35 35 A Q H ><5S+ 0 0 18 -4,-2.5 3,-0.6 4,-0.2 -1,-0.2 0.887 109.4 52.1 -72.2 -40.5 25.1 69.7 14.3 36 36 A E H 3<5S+ 0 0 119 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.769 109.3 50.7 -66.9 -25.9 21.9 71.7 13.9 37 37 A Q T 3<5S- 0 0 123 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.605 114.7-121.2 -86.2 -13.5 23.8 73.9 11.4 38 38 A G T < 5S+ 0 0 37 -3,-0.6 3,-0.2 -4,-0.5 -3,-0.2 0.423 86.7 107.8 91.9 -0.1 24.9 70.9 9.5 39 39 A Q S - D 0 367A 3 5,-1.0 3,-2.3 -2,-0.3 5,-0.2 -0.733 41.1-113.5 -75.9 108.1 34.6 55.7 20.4 47 47 A T T 3 S+ 0 0 8 319,-1.0 873,-0.2 -2,-0.9 3,-0.1 -0.118 93.6 6.9 -53.9 134.0 33.6 52.6 22.4 48 48 A G T 3 S+ 0 0 1 1,-0.2 2,-0.3 852,-0.2 -1,-0.3 0.435 116.7 93.6 75.2 1.5 35.5 52.3 25.7 49 49 A K S < S- 0 0 70 -3,-2.3 2,-1.3 2,-0.1 -1,-0.2 -0.896 80.3-116.7-131.5 155.0 37.1 55.7 25.3 50 50 A Y S S+ 0 0 39 -2,-0.3 -41,-3.2 -41,-0.2 2,-0.3 -0.725 87.7 46.4 -86.4 90.4 36.7 59.3 26.2 51 51 A G E S-A 8 0A 2 -2,-1.3 -5,-1.0 -43,-0.2 2,-0.3 -0.985 70.3-113.6 167.1-163.8 36.3 60.8 22.8 52 52 A N E -AC 7 45A 14 -45,-1.9 -45,-2.6 -2,-0.3 2,-0.4 -0.963 11.3-125.2-155.1 166.9 34.5 60.5 19.4 53 53 A I E -AC 6 44A 0 -9,-2.5 -9,-2.5 -2,-0.3 2,-0.3 -0.996 41.3-180.0-117.0 131.5 34.7 59.9 15.7 54 54 A S E -AC 5 43A 0 -49,-2.8 -49,-3.1 -2,-0.4 2,-0.5 -0.924 29.0-148.9-135.5 153.7 33.1 62.7 13.7 55 55 A V E -AC 4 42A 0 -13,-1.8 -13,-1.8 -2,-0.3 -14,-1.2 -0.990 20.8-164.5-120.5 121.3 32.4 63.8 10.2 56 56 A F E -AC 3 40A 0 -53,-2.2 -53,-1.8 -2,-0.5 2,-0.5 -0.792 8.2-158.7-104.0 148.9 32.4 67.5 9.5 57 57 A D E +A 2 0A 53 -18,-2.6 2,-0.2 -2,-0.3 -55,-0.2 -0.869 35.1 136.9-130.1 96.3 30.9 69.2 6.5 58 58 A V - 0 0 2 -57,-1.9 3,-0.1 -2,-0.5 -2,-0.0 -0.773 58.8-110.3-136.5 177.6 32.3 72.7 5.9 59 59 A N S S+ 0 0 118 -2,-0.2 2,-0.3 1,-0.1 3,-0.1 0.540 87.5 2.3 -94.1 -8.1 33.6 74.9 3.0 60 60 A S > - 0 0 27 -59,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.991 69.4-101.9-167.3 166.3 37.3 75.0 3.8 61 61 A H H > S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.888 120.8 56.0 -60.6 -40.1 40.2 73.9 6.0 62 62 A D H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 104.9 50.9 -63.6 -38.7 40.1 77.3 7.7 63 63 A E H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 111.8 47.5 -64.7 -45.0 36.4 76.8 8.6 64 64 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.933 111.7 50.6 -60.4 -46.0 37.1 73.4 10.1 65 65 A H H X S+ 0 0 13 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.928 107.9 51.4 -60.9 -47.0 40.1 74.7 12.1 66 66 A E H X S+ 0 0 126 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.896 113.3 47.1 -56.7 -40.8 38.2 77.7 13.6 67 67 A I H >X S+ 0 0 11 -4,-1.8 4,-0.7 2,-0.2 3,-0.7 0.969 115.1 43.2 -64.8 -55.1 35.5 75.2 14.7 68 68 A L H >< S+ 0 0 0 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.901 111.1 56.8 -57.2 -42.5 37.9 72.7 16.2 69 69 A W H 3< S+ 0 0 61 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.815 108.3 47.4 -59.1 -32.1 39.9 75.5 17.8 70 70 A S H << S+ 0 0 57 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.517 79.8 120.3 -93.8 -7.0 36.9 76.8 19.6 71 71 A L X< - 0 0 12 -3,-1.1 3,-2.0 -4,-0.7 -44,-0.1 -0.360 69.8-126.8 -59.3 133.6 35.6 73.5 21.0 72 72 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.852 109.5 47.2 -49.2 -40.8 35.5 73.6 24.8 73 73 A F T > S+ 0 0 22 1,-0.2 3,-2.7 2,-0.1 4,-0.3 0.516 81.5 108.2 -79.6 -5.0 37.6 70.4 25.1 74 74 A F G X S+ 0 0 25 -3,-2.0 3,-2.2 1,-0.3 -1,-0.2 0.822 70.9 55.5 -47.9 -50.2 40.2 71.5 22.6 75 75 A P G 3 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.687 115.6 41.4 -60.2 -13.8 43.1 72.1 25.0 76 76 A Y G < S+ 0 0 72 -3,-2.7 -66,-2.3 -4,-0.1 2,-0.3 0.267 97.6 105.8-112.4 8.8 42.7 68.5 26.2 77 77 A L E < -B 9 0A 27 -3,-2.2 2,-0.6 -4,-0.3 -68,-0.2 -0.706 54.6-155.2 -97.7 139.7 42.1 66.9 22.8 78 78 A T E -B 8 0A 73 -70,-2.3 -70,-1.7 -2,-0.3 2,-0.4 -0.974 32.0-163.5-100.8 120.3 44.3 64.8 20.6 79 79 A I E -B 7 0A 4 -2,-0.6 2,-0.5 -72,-0.2 -72,-0.2 -0.910 20.7-170.3-120.4 130.7 42.9 65.4 17.1 80 80 A D E -B 6 0A 83 -74,-2.1 -74,-2.4 -2,-0.4 2,-0.4 -0.974 11.9-171.8-115.4 127.5 43.3 63.5 13.9 81 81 A V E +B 5 0A 27 -2,-0.5 -76,-0.2 -76,-0.2 -2,-0.0 -0.963 10.4 165.9-120.8 132.8 42.0 65.1 10.7 82 82 A E E -B 4 0A 49 -78,-1.8 -78,-3.1 -2,-0.4 93,-0.1 -0.975 32.8-120.2-145.0 134.5 41.7 63.5 7.2 83 83 A P E -B 3 0A 6 0, 0.0 247,-1.0 0, 0.0 2,-0.4 -0.390 23.6-147.8 -69.3 146.2 39.8 64.7 4.2 84 84 A L E -E 329 0A 4 -82,-2.6 -82,-0.5 245,-0.2 2,-0.3 -0.913 9.3-159.5-115.0 144.8 37.1 62.4 2.6 85 85 A S E -E 328 0A 2 243,-3.0 243,-3.3 -2,-0.4 2,-0.2 -0.823 32.6 -89.5-118.8 159.5 36.2 62.2 -1.0 86 86 A H E -E 327 0A 107 -2,-0.3 241,-0.1 241,-0.2 3,-0.1 -0.497 42.6-133.7 -67.2 132.7 33.1 61.0 -2.9 87 87 A H > - 0 0 22 239,-0.5 3,-1.8 -2,-0.2 239,-0.1 -0.751 3.3-138.6 -91.9 133.7 33.4 57.2 -3.6 88 88 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.908 104.9 51.7 -54.4 -46.8 32.5 56.1 -7.2 89 89 A A T 3 S+ 0 0 14 2,-0.1 2,-0.2 -3,-0.1 -2,-0.0 0.309 84.5 126.7 -74.7 8.9 30.7 53.0 -5.9 90 90 A R < - 0 0 58 -3,-1.8 2,-0.7 1,-0.1 225,-0.1 -0.506 49.1-154.1 -73.1 133.2 28.6 55.2 -3.4 91 91 A V 0 0 46 -2,-0.2 -2,-0.1 1,-0.2 -1,-0.1 -0.888 360.0 360.0-107.1 100.5 24.8 54.8 -3.6 92 92 A G 0 0 102 -2,-0.7 -1,-0.2 0, 0.0 -2,-0.0 0.521 360.0 360.0 129.6 360.0 23.3 58.0 -2.3 93 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 94 1 B M 0 0 41 0, 0.0 57,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 162.0 42.7 75.6 -0.4 95 2 B L E +I 150 0B 16 82,-0.5 82,-2.6 55,-0.2 2,-0.4 -0.635 360.0 179.7 -97.9 135.6 46.1 74.2 0.6 96 3 B Y E -IJ 149 176B 0 53,-2.2 53,-2.5 -2,-0.3 2,-0.6 -0.998 23.0-140.2-127.9 130.1 47.1 70.6 1.1 97 4 B L E -IJ 148 175B 4 78,-3.5 78,-1.5 -2,-0.4 2,-0.5 -0.810 28.6-171.9 -84.1 121.3 50.6 69.4 2.1 98 5 B V E -IJ 147 174B 0 49,-3.0 49,-2.8 -2,-0.6 2,-0.5 -0.962 12.6-165.0-125.2 119.2 51.3 66.3 0.1 99 6 B R E -IJ 146 173B 60 74,-2.0 74,-2.1 -2,-0.5 2,-0.4 -0.873 9.0-170.1-100.1 131.1 54.2 64.0 0.5 100 7 B M E -IJ 145 172B 3 45,-2.9 45,-1.9 -2,-0.5 2,-0.4 -0.984 5.7-174.3-123.7 131.1 55.0 61.5 -2.3 101 8 B T E -IJ 144 171B 49 70,-1.9 70,-2.3 -2,-0.4 2,-0.4 -0.993 17.1-140.4-125.4 130.1 57.5 58.7 -2.1 102 9 B V E + J 0 170B 16 41,-2.9 2,-0.4 -2,-0.4 68,-0.2 -0.740 19.4 177.9 -95.1 131.6 58.3 56.6 -5.2 103 10 B N - 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