==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, LYASE 10-MAR-01 1I7O . COMPND 2 MOLECULE: 4-HYDROXYPHENYLACETATE DEGRADATION BIFUNCTIONAL . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.R.H.TAME,K.NAMBA,E.J.DODSON,D.I.ROPER . 1683 9 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1025 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 413 24.5 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 116 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 188 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 8.1 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 15 0 2 2 0 8 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 . 0 8 12 0 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 0 PARALLEL BRIDGES PER LADDER . 35 11 9 10 11 11 8 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 . 13 8 5 3 1 7 0 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 1 A M 0 0 67 0, 0.0 169,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -64.8 -4.1 -9.5 59.9 2 2 A K + 0 0 217 167,-0.1 168,-0.1 2,-0.1 2,-0.1 0.145 360.0 93.7-103.0 10.7 -3.4 -6.2 61.7 3 3 A G S S- 0 0 18 166,-0.7 2,-0.3 1,-0.1 167,-0.2 -0.336 97.4 -77.0 -88.7 176.2 0.1 -6.7 60.3 4 4 A T - 0 0 27 -2,-0.1 167,-2.5 163,-0.1 2,-0.7 -0.607 43.6-142.3 -69.1 139.6 1.3 -5.2 57.0 5 5 A I E -Ab 40 171A 1 35,-0.6 35,-2.6 -2,-0.3 2,-0.2 -0.919 21.5-177.6-107.1 106.9 -0.0 -7.2 54.0 6 6 A F E -Ab 39 172A 4 165,-2.4 167,-2.4 -2,-0.7 2,-0.3 -0.561 6.1-169.8 -89.6 166.2 2.6 -7.5 51.3 7 7 A A E -Ab 38 173A 1 31,-2.2 31,-2.5 165,-0.2 2,-0.4 -0.987 17.8-126.1-153.7 151.6 1.6 -9.3 48.0 8 8 A V E -A 37 0A 3 165,-1.5 3,-0.3 -2,-0.3 2,-0.3 -0.902 18.7-160.8-107.2 135.7 3.5 -10.6 45.0 9 9 A A E S+A 36 0A 4 27,-3.1 27,-0.7 -2,-0.4 93,-0.0 -0.694 73.3 22.5-102.9 160.3 2.5 -9.7 41.4 10 10 A L S S+ 0 0 6 -2,-0.3 -1,-0.2 166,-0.2 27,-0.0 0.832 82.7 124.5 56.9 31.9 3.5 -11.6 38.3 11 11 A N + 0 0 2 -3,-0.3 139,-3.1 165,-0.3 2,-0.5 0.401 46.0 85.4-100.0 -0.4 4.1 -14.8 40.3 12 12 A H B >> S-G 149 0B 8 164,-0.4 4,-1.8 137,-0.3 3,-1.5 -0.917 73.9-138.4-109.4 128.4 1.7 -17.1 38.4 13 13 A R H 3> S+ 0 0 123 135,-2.9 4,-2.9 -2,-0.5 5,-0.2 0.811 100.9 64.4 -57.6 -32.3 3.2 -18.8 35.2 14 14 A S H 3> S+ 0 0 44 134,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.870 108.1 40.6 -55.8 -37.2 -0.1 -18.2 33.3 15 15 A Q H <> S+ 0 0 1 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.857 112.6 53.8 -81.9 -36.3 0.4 -14.4 33.6 16 16 A L H X S+ 0 0 33 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.924 112.3 46.3 -60.8 -41.4 4.1 -14.6 32.9 17 17 A D H >< S+ 0 0 112 -4,-2.9 3,-1.2 -5,-0.2 4,-0.4 0.966 112.7 49.1 -66.4 -49.3 3.2 -16.6 29.8 18 18 A A H 3< S+ 0 0 63 -4,-2.2 4,-0.3 1,-0.3 3,-0.3 0.794 117.7 39.9 -59.3 -35.0 0.4 -14.1 28.7 19 19 A W H 3X S+ 0 0 35 -4,-2.4 4,-2.7 1,-0.2 -1,-0.3 0.372 80.9 109.2 -97.0 0.5 2.7 -11.1 29.2 20 20 A Q T << S+ 0 0 129 -3,-1.2 4,-0.2 -4,-0.6 -1,-0.2 0.859 84.3 42.4 -47.8 -45.5 5.9 -12.6 27.7 21 21 A E T >> S+ 0 0 151 -4,-0.4 3,-3.3 -3,-0.3 4,-0.7 0.986 111.6 50.9 -64.4 -61.1 5.7 -10.5 24.6 22 22 A A G >4 S+ 0 0 40 1,-0.3 3,-1.3 -4,-0.3 6,-0.4 0.855 102.6 65.3 -46.6 -34.6 4.7 -7.2 26.2 23 23 A F G 3< S+ 0 0 4 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.628 97.4 53.0 -71.8 -6.6 7.6 -7.7 28.6 24 24 A Q G <4 S+ 0 0 111 -3,-3.3 -1,-0.3 -4,-0.2 2,-0.2 0.582 106.9 63.3 -98.0 -11.4 10.2 -7.4 25.7 25 25 A Q S XX S- 0 0 130 -3,-1.3 3,-1.6 -4,-0.7 4,-1.5 -0.648 92.6 -33.5-112.3 164.8 8.8 -4.0 24.5 26 26 A S T 34 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.303 117.7 18.9 -56.5 143.4 8.4 -0.5 26.0 27 27 A P T 34 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.983 132.5 41.2 -93.5 7.0 8.0 0.4 28.7 28 28 A Y T <4 - 0 0 11 -3,-1.6 2,-3.3 -6,-0.4 281,-0.3 0.825 69.6-178.8 -76.7 -39.4 9.1 -3.0 30.3 29 29 A K < + 0 0 140 -4,-1.5 -1,-0.2 -7,-0.3 -3,-0.1 -0.279 67.8 21.0 70.5 -53.5 12.1 -3.5 28.0 30 30 A A S S- 0 0 19 -2,-3.3 279,-0.2 -3,-0.1 -6,-0.1 -0.967 92.5 -91.1-144.5 153.1 12.8 -6.8 29.7 31 31 A P - 0 0 58 0, 0.0 278,-0.1 0, 0.0 279,-0.1 -0.108 65.3 -71.3 -59.5 158.0 11.0 -9.4 31.9 32 32 A P - 0 0 35 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.330 39.0-166.5 -52.9 128.4 11.2 -9.0 35.8 33 33 A K S S+ 0 0 155 -3,-0.1 2,-0.3 2,-0.1 275,-0.0 0.525 76.4 19.5 -89.7 -5.5 14.7 -9.8 37.1 34 34 A T S S- 0 0 41 1,-0.0 -1,-0.0 0, 0.0 125,-0.0 -0.895 103.9 -61.8-157.2 165.5 13.3 -9.9 40.6 35 35 A A - 0 0 13 -2,-0.3 2,-0.7 1,-0.1 -25,-0.1 -0.324 43.6-134.6 -67.7 144.4 10.0 -10.3 42.5 36 36 A V E -A 9 0A 7 -27,-0.7 -27,-3.1 -4,-0.1 2,-0.3 -0.924 29.6-168.9-102.6 111.4 7.4 -7.7 41.9 37 37 A W E +A 8 0A 13 -2,-0.7 278,-0.3 -29,-0.2 2,-0.3 -0.755 15.0 172.2-104.9 153.5 5.9 -6.6 45.2 38 38 A F E -A 7 0A 24 -31,-2.5 -31,-2.2 -2,-0.3 2,-0.4 -0.894 22.2-130.0-144.6 172.5 2.9 -4.5 46.3 39 39 A I E -A 6 0A 16 -2,-0.3 -33,-0.2 -33,-0.2 71,-0.1 -0.975 3.1-148.9-128.6 139.5 1.1 -3.6 49.6 40 40 A K E -A 5 0A 2 -35,-2.6 -35,-0.6 -2,-0.4 5,-0.1 -0.912 34.4-144.3-103.4 101.4 -2.6 -3.8 50.5 41 41 A P >> - 0 0 7 0, 0.0 3,-2.7 0, 0.0 4,-0.6 -0.146 27.1 -89.6 -74.0 171.1 -2.7 -0.9 53.1 42 42 A R G >4 S+ 0 0 42 1,-0.3 3,-0.6 2,-0.2 72,-0.1 0.710 120.3 64.5 -58.6 -23.8 -4.9 -0.9 56.2 43 43 A N G 34 S+ 0 0 7 1,-0.2 71,-2.0 334,-0.2 -1,-0.3 0.757 103.6 51.4 -68.0 -21.0 -8.0 0.6 54.6 44 44 A T G <4 S+ 0 0 0 -3,-2.7 72,-2.3 69,-0.3 2,-0.4 0.759 84.9 100.4 -81.5 -28.9 -8.2 -2.5 52.5 45 45 A V E << +h 116 0C 24 -4,-0.6 2,-0.3 -3,-0.6 69,-0.1 -0.490 43.0 156.4 -78.4 119.2 -8.1 -5.2 55.1 46 46 A I E -h 117 0C 12 70,-1.1 72,-2.1 -2,-0.4 2,-0.1 -0.889 30.6-128.5-132.3 163.4 -11.3 -6.8 56.2 47 47 A G > - 0 0 22 -2,-0.3 3,-1.6 1,-0.2 72,-0.2 -0.408 51.1 -53.9 -98.1-176.9 -12.4 -10.1 57.7 48 48 A a T 3 S+ 0 0 21 70,-0.3 1270,-0.3 1,-0.2 1421,-0.2 -0.259 121.9 20.3 -57.1 139.4 -14.9 -12.7 56.7 49 49 A G T 3 S+ 0 0 5 151,-3.5 -1,-0.2 1,-0.3 152,-0.1 0.283 90.4 125.0 85.4 -11.9 -18.5 -11.4 56.2 50 50 A E < - 0 0 38 -3,-1.6 -1,-0.3 150,-0.2 2,-0.1 -0.580 64.7-109.8 -81.3 144.6 -17.4 -7.8 55.7 51 51 A P - 0 0 33 0, 0.0 152,-0.2 0, 0.0 -1,-0.1 -0.400 11.8-134.5 -75.6 153.4 -18.6 -6.2 52.5 52 52 A I E -i 203 0D 1 150,-2.9 152,-2.0 -2,-0.1 2,-0.3 -0.950 28.6-134.1-101.3 109.4 -16.4 -5.3 49.6 53 53 A P E -i 204 0D 17 0, 0.0 152,-0.2 0, 0.0 150,-0.1 -0.530 17.7-141.7 -70.5 128.6 -17.6 -1.8 48.7 54 54 A F E -i 205 0D 1 150,-3.4 152,-2.4 -2,-0.3 2,-0.5 -0.779 3.6-143.4 -97.0 124.4 -18.0 -1.6 44.9 55 55 A P - 0 0 3 0, 0.0 3,-0.3 0, 0.0 150,-0.1 -0.671 25.0-123.7 -84.2 122.1 -17.0 1.7 43.1 56 56 A Q S S+ 0 0 96 -2,-0.5 3,-0.1 1,-0.2 2,-0.1 -0.340 85.7 41.7 -73.9 154.6 -19.4 2.4 40.3 57 57 A G S S+ 0 0 67 1,-0.4 -1,-0.2 0, 0.0 2,-0.1 -0.446 99.0 81.7 152.1 -87.3 -17.9 2.8 37.0 58 58 A E S S- 0 0 87 -3,-0.3 2,-0.5 -2,-0.1 -1,-0.4 0.179 75.3-113.9 130.4 106.2 -15.7 0.4 37.0 59 59 A K - 0 0 101 -3,-0.1 2,-0.4 -2,-0.1 125,-0.1 -0.912 31.7-164.5-104.1 128.8 -15.0 -3.3 36.5 60 60 A V E -J 183 0E 0 123,-0.6 123,-2.4 -2,-0.5 2,-0.4 -0.954 1.4-160.6-120.7 140.8 -13.9 -5.3 39.6 61 61 A L E -JK 182 96E 21 35,-2.8 35,-2.6 -2,-0.4 121,-0.2 -0.949 17.0-127.5-125.3 133.3 -12.3 -8.7 39.8 62 62 A S - 0 0 4 119,-3.0 119,-0.3 -2,-0.4 33,-0.1 -0.346 17.6-164.0 -66.9 160.2 -12.1 -11.2 42.6 63 63 A G - 0 0 4 117,-0.1 31,-2.8 -2,-0.1 112,-0.1 -0.317 5.7-168.8-149.7 57.9 -8.6 -12.4 43.4 64 64 A A E +C 93 0A 3 29,-0.3 2,-0.3 126,-0.1 29,-0.2 -0.205 28.5 135.2 -48.8 133.4 -8.8 -15.6 45.5 65 65 A T E -C 92 0A 0 27,-2.5 27,-2.1 111,-0.1 2,-0.3 -0.885 47.6-107.3-160.7-173.8 -5.4 -16.5 46.9 66 66 A V E -C 91 0A 0 109,-0.3 108,-3.0 -2,-0.3 2,-0.4 -0.977 22.4-148.5-129.9 153.5 -3.6 -17.6 50.1 67 67 A A E -CD 90 173A 0 23,-3.3 23,-2.5 -2,-0.3 2,-0.3 -0.961 11.7-134.2-122.5 137.1 -1.3 -15.6 52.4 68 68 A L E -CD 89 172A 0 104,-2.3 104,-2.4 -2,-0.4 2,-0.5 -0.674 24.2-145.5 -80.1 139.7 1.6 -16.9 54.5 69 69 A I E -CD 88 171A 8 19,-3.1 18,-2.3 -2,-0.3 19,-1.1 -0.959 13.4-126.2-113.6 121.3 1.4 -15.3 58.0 70 70 A V E -C 86 0A 2 100,-2.8 99,-3.0 -2,-0.5 16,-0.3 -0.444 20.5-171.8 -71.8 133.1 4.7 -14.5 59.7 71 71 A G + 0 0 38 14,-3.1 2,-0.3 1,-0.3 15,-0.2 0.641 68.4 10.2-101.5 -19.9 5.1 -16.0 63.2 72 72 A K S S- 0 0 84 13,-0.9 -1,-0.3 95,-0.1 94,-0.1 -0.989 103.5 -59.1-156.8 159.0 8.3 -14.3 64.4 73 73 A T - 0 0 80 -2,-0.3 2,-0.7 1,-0.1 94,-0.2 -0.019 53.0-156.8 -44.7 121.6 10.5 -11.4 63.2 74 74 A A B +L 166 0F 0 92,-2.8 92,-2.2 3,-0.1 2,-0.5 -0.898 25.6 156.6-112.6 104.5 11.7 -12.3 59.8 75 75 A T S S- 0 0 71 -2,-0.7 87,-0.2 90,-0.2 90,-0.1 -0.971 77.3 -15.7-128.0 119.0 15.0 -10.7 58.7 76 76 A K S S- 0 0 111 85,-2.7 2,-0.2 -2,-0.5 86,-0.2 0.940 82.8-165.1 55.8 47.6 17.0 -12.4 55.9 77 77 A V - 0 0 3 80,-0.3 2,-0.3 81,-0.1 -1,-0.2 -0.452 16.1-125.9 -64.7 131.1 15.2 -15.6 56.4 78 78 A R > - 0 0 148 -2,-0.2 3,-1.5 1,-0.1 4,-0.3 -0.604 17.5-124.1 -78.9 141.0 17.0 -18.6 54.7 79 79 A E G > S+ 0 0 106 -2,-0.3 3,-2.2 1,-0.3 4,-0.3 0.927 108.5 52.8 -51.0 -52.7 14.8 -20.5 52.3 80 80 A E G 3 S+ 0 0 121 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.661 111.9 46.9 -60.2 -17.7 15.3 -23.9 54.0 81 81 A D G X S+ 0 0 65 -3,-1.5 3,-0.9 1,-0.1 4,-0.5 0.243 77.3 109.9-107.5 14.1 14.3 -22.4 57.3 82 82 A A G X> + 0 0 2 -3,-2.2 3,-2.4 -4,-0.3 4,-0.5 0.867 67.3 63.5 -60.6 -39.5 11.1 -20.6 56.2 83 83 A A G >4 S+ 0 0 71 1,-0.3 3,-1.4 -4,-0.3 -1,-0.2 0.857 95.7 61.6 -58.1 -31.7 8.5 -22.8 58.0 84 84 A E G <4 S+ 0 0 114 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.728 106.7 44.4 -70.2 -15.7 10.0 -21.9 61.3 85 85 A Y G <4 S+ 0 0 57 -3,-2.4 -14,-3.1 -4,-0.5 -13,-0.9 0.402 97.3 88.1-102.3 -2.2 9.0 -18.2 60.7 86 86 A I E << -C 70 0A 21 -3,-1.4 -16,-0.2 -4,-0.5 3,-0.1 -0.905 52.7-170.3-105.1 116.3 5.6 -19.0 59.3 87 87 A A E - 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