==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-JAN-02 1GTT . 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 . 1684 8 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66440.0 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 . 417 24.8 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 . 3 0.2 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 . 192 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 7.7 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 12 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 7 13 12 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 . 12 8 4 4 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 77 0, 0.0 169,-0.1 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 -79.0 58.1 -9.0 7.7 2 2 A K + 0 0 209 167,-0.5 168,-0.1 2,-0.1 2,-0.1 0.192 360.0 75.3-164.5 -22.5 59.6 -6.2 9.7 3 3 A G S S- 0 0 25 166,-0.8 2,-0.2 1,-0.1 167,-0.1 -0.334 100.9 -66.4 -91.2-175.8 63.1 -6.4 8.4 4 4 A T - 0 0 23 -2,-0.1 167,-2.6 163,-0.1 2,-0.8 -0.567 45.1-142.7 -70.4 138.2 64.4 -5.2 5.0 5 5 A I E -Ab 40 171A 1 35,-0.6 35,-2.7 -2,-0.2 2,-0.2 -0.906 20.9-176.3-107.4 107.1 63.0 -7.1 2.1 6 6 A F E -Ab 39 172A 4 165,-2.8 167,-2.5 -2,-0.8 2,-0.3 -0.585 4.6-170.3 -88.6 162.3 65.6 -7.6 -0.6 7 7 A A E -Ab 38 173A 1 31,-2.4 31,-2.5 165,-0.3 2,-0.4 -0.993 17.2-128.8-152.6 148.7 64.7 -9.2 -3.9 8 8 A V E -A 37 0A 4 165,-1.4 3,-0.3 -2,-0.3 2,-0.3 -0.910 17.7-161.6-105.9 133.8 66.5 -10.6 -7.0 9 9 A A E S+A 36 0A 5 27,-3.0 27,-0.7 -2,-0.4 93,-0.0 -0.718 72.7 21.8-101.5 156.8 65.5 -9.7 -10.6 10 10 A L S S+ 0 0 5 -2,-0.3 -1,-0.2 166,-0.2 27,-0.0 0.822 82.3 124.2 58.8 31.5 66.5 -11.6 -13.7 11 11 A N + 0 0 1 -3,-0.3 139,-2.8 165,-0.2 2,-0.5 0.410 46.6 86.4 -98.1 -1.4 67.1 -14.8 -11.7 12 12 A H B >> S-G 149 0B 9 164,-0.4 4,-1.7 137,-0.2 3,-1.2 -0.906 73.7-139.0-108.7 126.9 64.8 -17.1 -13.7 13 13 A R H 3> S+ 0 0 119 135,-2.8 4,-2.5 -2,-0.5 5,-0.2 0.793 100.9 63.2 -57.6 -31.3 66.2 -18.8 -16.8 14 14 A S H 3> S+ 0 0 43 134,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.859 108.2 42.2 -58.4 -37.5 62.9 -18.2 -18.7 15 15 A Q H <> S+ 0 0 2 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.860 111.8 52.4 -79.4 -37.2 63.5 -14.4 -18.4 16 16 A L H X S+ 0 0 29 -4,-1.7 4,-0.6 2,-0.2 -2,-0.2 0.911 113.1 46.9 -62.7 -38.9 67.2 -14.6 -19.2 17 17 A D H >< S+ 0 0 105 -4,-2.5 3,-1.2 -5,-0.2 4,-0.3 0.961 112.4 48.9 -67.4 -50.0 66.2 -16.6 -22.3 18 18 A A H 3< S+ 0 0 64 -4,-2.2 3,-0.3 1,-0.2 4,-0.2 0.829 117.2 41.3 -58.3 -36.0 63.5 -14.1 -23.3 19 19 A W H 3X S+ 0 0 35 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.378 81.9 105.9 -95.9 1.5 65.8 -11.1 -22.8 20 20 A Q T << S+ 0 0 136 -3,-1.2 4,-0.4 -4,-0.6 -1,-0.2 0.876 84.0 43.0 -49.0 -50.0 69.0 -12.6 -24.4 21 21 A E T >4 S+ 0 0 156 -4,-0.3 3,-0.7 -3,-0.3 4,-0.3 0.858 115.0 49.9 -67.6 -37.6 68.7 -10.5 -27.7 22 22 A A G >4 S+ 0 0 36 1,-0.2 3,-1.6 -4,-0.2 6,-0.4 0.874 102.7 61.3 -71.0 -35.5 67.8 -7.3 -25.8 23 23 A F G 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.627 96.7 59.9 -70.9 -10.7 70.7 -7.7 -23.4 24 24 A Q G < S+ 0 0 121 -3,-0.7 -1,-0.3 -4,-0.4 2,-0.3 0.584 104.6 61.6 -85.8 -10.1 73.2 -7.5 -26.3 25 25 A Q S X> S- 0 0 110 -3,-1.6 3,-1.7 -4,-0.3 4,-1.2 -0.755 90.8 -38.5-122.0 161.0 72.0 -4.0 -27.2 26 26 A S T 34 S+ 0 0 89 1,-0.4 -1,-0.1 -2,-0.3 -2,-0.1 -0.217 117.2 23.4 -52.0 142.1 71.7 -0.5 -25.9 27 27 A P T 34 S+ 0 0 51 0, 0.0 -1,-0.4 0, 0.0 3,-0.1 -0.996 135.3 36.6 -89.2 2.1 71.0 0.4 -23.2 28 28 A Y T <4 S- 0 0 13 -3,-1.7 2,-3.0 -6,-0.4 281,-0.3 0.825 71.0-179.6 -78.6 -38.7 72.1 -2.9 -21.7 29 29 A K < + 0 0 136 -4,-1.2 -1,-0.2 -7,-0.3 -3,-0.1 -0.302 67.7 22.2 70.8 -55.1 75.1 -3.5 -24.0 30 30 A A S S- 0 0 44 -2,-3.0 279,-0.2 -3,-0.1 -6,-0.1 -0.953 93.2 -92.5-138.0 153.0 75.9 -6.8 -22.3 31 31 A P - 0 0 62 0, 0.0 278,-0.1 0, 0.0 279,-0.1 -0.130 61.7 -75.3 -60.6 159.2 74.0 -9.3 -20.1 32 32 A P - 0 0 31 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.349 40.3-171.5 -56.0 132.9 74.1 -9.0 -16.3 33 33 A K S S+ 0 0 151 -3,-0.1 2,-0.1 2,-0.1 3,-0.1 0.887 72.5 28.6 -88.0 -50.0 77.5 -10.1 -14.9 34 34 A T S S- 0 0 38 1,-0.2 -1,-0.0 125,-0.0 125,-0.0 -0.336 105.2 -68.2-101.7 178.5 76.4 -9.9 -11.2 35 35 A A - 0 0 12 -2,-0.1 2,-0.7 1,-0.1 -1,-0.2 -0.309 42.3-132.6 -69.4 144.0 73.1 -10.3 -9.5 36 36 A V E -A 9 0A 5 -27,-0.7 -27,-3.0 -3,-0.1 2,-0.3 -0.926 31.0-167.3-102.1 111.3 70.4 -7.7 -10.1 37 37 A W E +A 8 0A 13 -2,-0.7 278,-0.3 -29,-0.2 2,-0.3 -0.732 15.3 172.9-104.8 152.8 68.9 -6.6 -6.8 38 38 A F E -A 7 0A 27 -31,-2.5 -31,-2.4 -2,-0.3 2,-0.4 -0.891 21.4-130.7-144.1 170.9 65.9 -4.5 -5.7 39 39 A I E -A 6 0A 17 -2,-0.3 -33,-0.2 -33,-0.2 71,-0.1 -0.978 3.1-149.7-126.9 138.5 64.2 -3.6 -2.4 40 40 A K E -A 5 0A 2 -35,-2.7 -35,-0.6 -2,-0.4 71,-0.1 -0.923 33.8-144.7-104.4 100.3 60.5 -3.8 -1.4 41 41 A P >> - 0 0 8 0, 0.0 3,-2.8 0, 0.0 4,-0.6 -0.197 27.2 -89.8 -74.6 168.7 60.3 -0.9 1.1 42 42 A R G >4 S+ 0 0 42 1,-0.3 3,-0.5 2,-0.2 74,-0.1 0.676 120.4 64.2 -57.4 -23.7 58.1 -0.9 4.2 43 43 A N G 34 S+ 0 0 7 1,-0.2 71,-1.9 334,-0.1 -1,-0.3 0.730 103.6 52.0 -69.1 -19.8 55.0 0.6 2.6 44 44 A T G <4 S+ 0 0 0 -3,-2.8 72,-2.1 69,-0.3 2,-0.4 0.760 84.6 101.7 -83.2 -26.1 54.8 -2.5 0.5 45 45 A V E << +h 116 0C 19 -4,-0.6 2,-0.3 -3,-0.5 69,-0.1 -0.452 43.0 155.7 -82.7 119.8 55.0 -5.1 3.1 46 46 A I E -h 117 0C 10 70,-1.5 72,-2.2 -2,-0.4 2,-0.1 -0.907 30.4-128.7-132.8 160.5 51.7 -6.8 4.2 47 47 A G > - 0 0 21 -2,-0.3 3,-1.6 1,-0.2 72,-0.2 -0.414 50.4 -55.4 -93.8-178.7 50.6 -10.1 5.8 48 48 A a T 3 S+ 0 0 23 70,-0.4 1270,-0.3 1,-0.2 -1,-0.2 -0.244 121.4 19.3 -55.4 137.8 48.1 -12.7 4.8 49 49 A G T 3 S+ 0 0 0 151,-3.2 -1,-0.2 1,-0.3 152,-0.2 0.292 91.5 122.8 85.0 -8.3 44.6 -11.4 4.2 50 50 A E < - 0 0 37 -3,-1.6 -1,-0.3 150,-0.2 2,-0.1 -0.591 65.7-105.9 -85.8 147.9 45.6 -7.8 3.8 51 51 A P - 0 0 37 0, 0.0 152,-0.2 0, 0.0 -1,-0.1 -0.448 11.6-136.1 -76.9 153.4 44.5 -6.1 0.5 52 52 A I E -i 203 0D 1 150,-2.9 152,-2.2 -2,-0.1 2,-0.4 -0.919 29.4-134.4 -99.1 110.1 46.6 -5.3 -2.4 53 53 A P E -i 204 0D 16 0, 0.0 152,-0.2 0, 0.0 150,-0.1 -0.574 17.5-140.5 -72.2 129.9 45.5 -1.8 -3.4 54 54 A F E -i 205 0D 8 150,-3.1 152,-2.1 -2,-0.4 2,-0.5 -0.764 6.3-134.8 -97.2 121.7 45.0 -1.6 -7.1 55 55 A P > - 0 0 3 0, 0.0 3,-1.8 0, 0.0 150,-0.1 -0.648 29.7-117.1 -79.4 122.0 46.1 1.6 -8.9 56 56 A Q T 3 S+ 0 0 113 -2,-0.5 3,-0.1 1,-0.2 149,-0.0 -0.178 94.4 18.3 -60.8 143.4 43.4 2.6 -11.4 57 57 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.2 -3,-0.0 2,-0.1 0.115 102.3 106.0 91.0 -24.7 44.4 2.6 -15.0 58 58 A E < - 0 0 79 -3,-1.8 2,-0.5 39,-0.0 -1,-0.2 -0.405 69.5-124.2 -92.1 161.0 47.4 0.4 -14.5 59 59 A K - 0 0 107 -2,-0.1 2,-0.4 -3,-0.1 125,-0.1 -0.945 32.0-162.8-101.2 128.3 48.0 -3.3 -15.4 60 60 A V E -J 183 0E 0 123,-0.6 123,-2.4 -2,-0.5 2,-0.4 -0.941 4.8-160.7-117.9 138.8 49.1 -5.3 -12.3 61 61 A L E -JK 182 96E 19 35,-3.0 35,-2.7 -2,-0.4 121,-0.2 -0.952 16.6-128.7-121.4 133.1 50.7 -8.7 -12.2 62 62 A S - 0 0 4 119,-2.7 119,-0.3 -2,-0.4 33,-0.1 -0.354 17.2-163.4 -65.8 156.7 51.0 -11.2 -9.4 63 63 A G - 0 0 4 117,-0.1 31,-2.8 -2,-0.1 112,-0.1 -0.336 5.7-167.7-147.7 58.4 54.5 -12.4 -8.6 64 64 A A E +C 93 0A 3 29,-0.3 2,-0.3 126,-0.1 29,-0.2 -0.205 28.6 135.8 -50.2 132.7 54.3 -15.6 -6.5 65 65 A T E -C 92 0A 0 27,-2.4 27,-2.2 68,-0.1 2,-0.3 -0.888 47.0-109.3-160.3-177.7 57.7 -16.4 -5.1 66 66 A V E -C 91 0A 0 109,-0.3 108,-2.5 -2,-0.3 2,-0.4 -0.977 23.2-148.8-126.9 154.5 59.4 -17.6 -1.9 67 67 A A E -CD 90 173A 0 23,-3.6 23,-2.6 -2,-0.3 2,-0.3 -0.959 11.7-132.4-124.0 140.0 61.7 -15.7 0.3 68 68 A L E -CD 89 172A 0 104,-2.4 104,-2.1 -2,-0.4 2,-0.5 -0.692 23.6-146.8 -79.2 137.5 64.7 -16.8 2.5 69 69 A I E -CD 88 171A 8 19,-2.9 18,-2.1 -2,-0.3 19,-1.2 -0.961 13.4-128.7-112.0 122.0 64.4 -15.3 6.0 70 70 A V E -C 86 0A 2 100,-2.7 99,-2.9 -2,-0.5 16,-0.3 -0.489 20.0-172.3 -74.2 134.1 67.7 -14.5 7.8 71 71 A G + 0 0 39 14,-3.0 2,-0.3 1,-0.3 15,-0.2 0.628 67.5 12.9-105.4 -16.1 68.1 -15.9 11.3 72 72 A K S S- 0 0 85 13,-0.8 -1,-0.3 95,-0.1 94,-0.1 -0.983 103.6 -59.9-156.4 160.8 71.3 -14.3 12.4 73 73 A T - 0 0 81 -2,-0.3 2,-0.6 1,-0.1 94,-0.2 -0.034 52.8-157.3 -48.2 124.0 73.6 -11.4 11.3 74 74 A A B +L 166 0F 0 92,-2.8 92,-2.3 3,-0.1 2,-0.4 -0.919 25.9 154.9-117.2 103.5 74.8 -12.3 7.8 75 75 A T S S- 0 0 70 -2,-0.6 87,-0.2 90,-0.2 90,-0.1 -0.977 77.4 -14.5-129.5 118.4 78.0 -10.7 6.6 76 76 A K S S- 0 0 113 85,-2.7 2,-0.2 -2,-0.4 86,-0.2 0.934 83.4-165.7 55.1 47.6 80.1 -12.4 3.9 77 77 A V - 0 0 3 80,-0.3 2,-0.3 81,-0.1 -1,-0.2 -0.454 17.1-124.3 -65.5 129.0 78.2 -15.6 4.4 78 78 A R > - 0 0 147 -2,-0.2 3,-1.6 1,-0.1 4,-0.3 -0.582 16.8-125.1 -75.1 138.2 80.0 -18.6 2.7 79 79 A E G > S+ 0 0 105 -2,-0.3 3,-2.0 1,-0.3 4,-0.2 0.918 108.4 52.0 -48.9 -53.2 77.8 -20.4 0.3 80 80 A E G 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.640 112.2 47.3 -61.1 -18.5 78.3 -23.9 2.0 81 81 A D G X S+ 0 0 66 -3,-1.6 3,-0.9 1,-0.1 4,-0.5 0.243 77.1 110.1-105.7 11.5 77.3 -22.4 5.4 82 82 A A G X + 0 0 3 -3,-2.0 3,-2.0 -4,-0.3 4,-0.5 0.860 67.1 63.9 -57.7 -38.2 74.1 -20.6 4.3 83 83 A A G > S+ 0 0 68 1,-0.3 3,-1.3 -4,-0.2 -1,-0.2 0.849 95.5 60.5 -61.4 -30.1 71.6 -22.8 6.0 84 84 A E G < S+ 0 0 112 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.728 107.3 45.0 -73.5 -17.4 73.0 -21.9 9.4 85 85 A Y G < S+ 0 0 55 -3,-2.0 -14,-3.0 -4,-0.5 -13,-0.8 0.368 97.2 88.1 -96.3 -4.1 72.1 -18.2 8.7 86 86 A I E < -C 70 0A 21 -3,-1.3 -16,-0.2 -4,-0.5 3,-0.1 -0.914 53.2-170.7-104.9 113.6 68.6 -19.0 7.3 87 87 A A E - 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