==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-OCT-09 3K87 . COMPND 2 MOLECULE: CHLOROPHENOL-4-MONOOXYGENASE COMPONENT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CEPACIA; . AUTHOR C.H.KANG,B.N.WEBB . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 73.2 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 . 124 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 4 1.2 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 . 2 0.6 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 . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 0 0 1 1 4 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 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 . 2 2 5 2 4 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 0 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 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 1014 A F 0 0 162 0, 0.0 2,-0.5 0, 0.0 286,-0.0 0.000 360.0 360.0 360.0 148.1 68.6 40.4 18.1 2 1015 A E - 0 0 85 303,-0.2 2,-0.0 1,-0.0 0, 0.0 -0.866 360.0-122.7-103.1 130.4 64.9 40.8 19.1 3 1016 A T - 0 0 57 -2,-0.5 302,-0.3 1,-0.1 3,-0.1 -0.334 33.6 -96.9 -68.3 151.3 62.7 43.0 17.0 4 1017 A V - 0 0 19 300,-2.3 2,-0.2 1,-0.1 -1,-0.1 -0.165 51.2 -86.4 -56.2 158.7 60.8 45.9 18.5 5 1018 A A >> - 0 0 65 1,-0.1 4,-1.7 206,-0.1 3,-0.7 -0.474 34.1-119.8 -65.3 141.0 57.2 45.3 19.5 6 1019 A S H 3> S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.892 114.0 53.8 -46.1 -42.4 54.7 45.9 16.8 7 1020 A F H 3> S+ 0 0 141 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.847 109.2 46.8 -66.9 -36.5 53.0 48.7 18.9 8 1021 A D H <> S+ 0 0 42 -3,-0.7 4,-1.8 2,-0.2 -1,-0.3 0.708 109.4 55.7 -73.5 -26.9 56.3 50.5 19.3 9 1022 A F H X S+ 0 0 4 -4,-1.7 4,-1.9 -3,-0.3 -2,-0.2 0.939 110.5 43.6 -72.9 -47.2 57.0 50.2 15.6 10 1023 A R H X S+ 0 0 104 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.850 112.5 53.4 -65.9 -36.8 53.8 51.9 14.7 11 1024 A D H X S+ 0 0 38 -4,-1.7 4,-0.6 -5,-0.2 3,-0.3 0.927 110.3 46.8 -64.1 -46.1 54.2 54.5 17.3 12 1025 A A H >< S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 4,-0.4 0.874 108.7 56.1 -61.5 -38.1 57.6 55.4 16.0 13 1026 A L H >< S+ 0 0 35 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.808 94.8 65.5 -69.4 -27.3 56.3 55.5 12.4 14 1027 A S H 3< S+ 0 0 11 -4,-1.4 141,-2.5 -3,-0.3 142,-0.3 0.779 97.9 57.7 -64.3 -24.7 53.7 58.0 13.4 15 1028 A K T << S+ 0 0 40 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.593 96.8 72.7 -82.6 -12.8 56.7 60.3 14.0 16 1029 A A S < S- 0 0 9 -3,-1.4 139,-0.5 -4,-0.4 2,-0.3 -0.524 80.3-130.2 -89.2 168.1 58.0 59.9 10.4 17 1030 A S E -A 154 0A 4 -2,-0.2 137,-0.2 137,-0.1 -2,-0.1 -0.818 23.8-179.7-118.9 159.8 56.2 61.6 7.5 18 1031 A T E -A 153 0A 38 135,-1.9 135,-2.7 -2,-0.3 165,-0.1 -0.967 31.1-107.5-144.1 162.4 55.1 60.2 4.1 19 1032 A P E -A 152 0A 11 0, 0.0 2,-0.4 0, 0.0 133,-0.2 -0.302 37.8-125.3 -71.5 176.6 53.3 61.4 1.0 20 1033 A V + 0 0 5 131,-0.9 54,-2.4 54,-0.3 2,-0.3 -0.996 32.1 175.9-124.5 127.9 49.8 60.2 0.6 21 1034 A T E -CD 36 73B 0 15,-2.0 15,-2.6 -2,-0.4 2,-0.5 -0.858 25.7-139.3-123.2 163.0 48.6 58.3 -2.6 22 1035 A V E -CD 35 72B 0 50,-2.0 50,-2.1 -2,-0.3 2,-0.5 -0.997 17.0-158.7-111.1 126.3 45.5 56.6 -3.8 23 1036 A V E +CD 34 71B 0 11,-2.8 11,-2.0 -2,-0.5 2,-0.3 -0.946 20.2 174.9-100.9 127.8 46.1 53.4 -5.6 24 1037 A A E -CD 33 70B 0 46,-1.7 46,-2.5 -2,-0.5 2,-0.3 -0.827 11.8-176.7-129.4 165.3 43.3 52.4 -7.9 25 1038 A T E +C 32 0B 0 7,-2.3 7,-1.8 -2,-0.3 2,-0.3 -0.975 6.3 178.6-156.7 157.7 42.4 49.7 -10.4 26 1039 A N + 0 0 60 -2,-0.3 5,-0.2 5,-0.2 42,-0.1 -0.942 30.2 102.0-159.4 164.4 39.7 48.6 -12.9 27 1040 A G S > S- 0 0 35 -2,-0.3 3,-1.8 81,-0.1 39,-0.1 -0.976 86.6 -25.9 148.5-162.0 39.4 45.8 -15.3 28 1041 A P T 3 S+ 0 0 124 0, 0.0 3,-0.1 0, 0.0 38,-0.1 0.727 134.6 51.0 -60.3 -23.8 37.7 42.4 -15.6 29 1042 A F T 3 S- 0 0 117 1,-0.3 2,-0.1 33,-0.2 37,-0.1 0.452 114.8-118.3 -96.7 -3.7 37.6 42.0 -11.7 30 1043 A G < - 0 0 20 -3,-1.8 2,-0.4 32,-0.1 -1,-0.3 -0.459 38.8 -35.2 105.1-169.9 36.1 45.4 -11.3 31 1044 A L + 0 0 38 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.769 60.5 138.9-105.1 134.6 36.8 48.8 -9.7 32 1045 A A E +C 25 0B 0 -7,-1.8 -7,-2.3 -2,-0.4 2,-0.3 -0.984 15.1 171.5-164.3 166.2 38.6 49.4 -6.4 33 1046 A G E -C 24 0B 0 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.3 -0.962 7.0-167.6-173.6 156.8 41.2 51.7 -4.7 34 1047 A L E -C 23 0B 27 -11,-2.0 -11,-2.8 -2,-0.3 2,-0.4 -0.974 34.5 -97.0-151.6 160.0 42.7 52.4 -1.3 35 1048 A T E -C 22 0B 36 50,-1.6 2,-0.4 -2,-0.3 -13,-0.2 -0.658 44.2-176.9 -81.4 132.6 44.8 55.1 0.3 36 1049 A C E +C 21 0B 6 -15,-2.6 -15,-2.0 -2,-0.4 3,-0.1 -0.992 27.3 166.2-141.2 124.2 48.5 54.1 0.4 37 1050 A S + 0 0 47 -2,-0.4 2,-1.9 -17,-0.2 -1,-0.1 0.557 65.3 86.6-106.1 -19.0 51.5 55.9 1.8 38 1051 A A + 0 0 13 14,-0.3 14,-2.2 167,-0.1 2,-0.3 -0.515 66.3 119.4 -84.7 73.1 54.0 53.0 1.6 39 1052 A V E +E 51 0B 9 -2,-1.9 2,-0.3 12,-0.2 12,-0.2 -0.972 31.7 161.1-134.7 141.3 55.0 53.7 -1.9 40 1053 A C E -E 50 0B 9 10,-2.1 10,-2.3 -2,-0.3 2,-0.1 -0.993 40.8 -93.9-159.1 164.2 58.4 54.6 -3.4 41 1054 A S E -E 49 0B 32 -2,-0.3 8,-0.3 8,-0.2 176,-0.1 -0.455 31.0-177.8 -68.9 146.0 60.4 54.7 -6.6 42 1055 A V E - 0 0 1 6,-2.9 2,-0.3 1,-0.4 7,-0.2 0.794 57.2 -32.7-108.5 -58.1 62.6 51.7 -7.3 43 1056 A C E > -E 48 0B 2 5,-1.2 5,-2.5 3,-0.2 -1,-0.4 -0.983 42.9-126.1-157.9 164.4 64.6 52.4 -10.5 44 1057 A D E 5S+E 47 0B 45 -2,-0.3 130,-0.2 3,-0.2 131,-0.1 0.630 84.5 79.0 -96.7 -9.8 64.2 54.2 -13.8 45 1058 A R T 5S+ 0 0 173 1,-0.7 -1,-0.2 3,-0.1 251,-0.2 -0.921 116.1 13.9-139.6 104.3 65.0 51.4 -16.4 46 1059 A P T 5S- 0 0 51 0, 0.0 -1,-0.7 0, 0.0 2,-0.3 0.722 112.8-120.4 -70.1 148.8 62.5 49.8 -16.5 47 1060 A P E 5 +E 44 0B 2 0, 0.0 92,-2.4 0, 0.0 2,-0.4 -0.430 49.0 170.7 -61.2 114.7 60.6 52.7 -14.7 48 1061 A T E < +EF 43 138B 3 -5,-2.5 -6,-2.9 -2,-0.3 -5,-1.2 -0.991 21.9 179.9-139.0 133.0 59.3 50.9 -11.6 49 1062 A V E -EF 41 137B 0 88,-2.4 88,-2.8 -2,-0.4 2,-0.4 -0.781 16.9-145.0-118.1 169.1 57.7 51.9 -8.3 50 1063 A L E -EF 40 136B 0 -10,-2.3 -10,-2.1 -2,-0.3 2,-0.3 -0.981 10.8-171.3-132.7 154.0 56.6 49.7 -5.5 51 1064 A L E -EF 39 135B 0 84,-2.0 84,-3.2 -2,-0.4 2,-0.6 -0.996 14.6-143.7-141.6 143.2 53.7 49.8 -3.1 52 1065 A C E + F 0 134B 4 -14,-2.2 2,-0.4 -2,-0.3 -14,-0.3 -0.931 25.3 173.6-114.4 123.0 53.0 47.7 0.0 53 1066 A I E - F 0 133B 5 80,-2.5 80,-2.9 -2,-0.6 2,-0.2 -0.974 38.7-105.7-137.0 132.5 49.4 46.8 0.7 54 1067 A N E > - F 0 132B 43 -2,-0.4 3,-1.4 78,-0.3 6,-0.3 -0.398 27.5-141.6 -56.8 122.8 47.8 44.5 3.3 55 1068 A R T 3 S+ 0 0 99 76,-2.3 -1,-0.2 1,-0.2 77,-0.1 0.646 91.5 71.7 -66.3 -9.8 46.7 41.4 1.4 56 1069 A K T 3 S+ 0 0 174 75,-0.3 -1,-0.2 4,-0.1 76,-0.1 0.668 77.7 105.9 -82.4 -12.9 43.4 41.1 3.4 57 1070 A S S <> S- 0 0 38 -3,-1.4 4,-2.0 1,-0.1 5,-0.1 -0.245 75.4-127.3 -73.8 149.7 41.8 44.1 1.7 58 1071 A Y H > S+ 0 0 123 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.956 112.8 49.9 -47.3 -54.1 39.0 44.2 -0.8 59 1072 A A H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.861 104.5 55.6 -63.8 -38.8 41.2 46.5 -3.0 60 1073 A A H > S+ 0 0 0 -6,-0.3 4,-2.6 1,-0.2 5,-0.3 0.941 106.1 52.5 -61.2 -44.6 44.2 44.3 -2.8 61 1074 A G H X S+ 0 0 38 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.923 115.2 40.6 -52.7 -49.2 42.3 41.3 -4.1 62 1075 A I H X S+ 0 0 34 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.932 113.3 52.7 -68.8 -47.8 41.0 43.3 -7.1 63 1076 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.4 0.940 110.9 47.8 -53.0 -50.1 44.3 45.1 -7.9 64 1077 A K H < S+ 0 0 66 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.853 115.2 44.6 -66.0 -34.7 46.3 41.8 -8.0 65 1078 A S H < S+ 0 0 65 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.842 110.9 51.3 -80.8 -33.4 43.8 40.1 -10.2 66 1079 A N H < S- 0 0 20 -4,-2.9 -2,-0.2 2,-0.1 -1,-0.2 0.856 93.2-150.9 -66.3 -34.6 43.4 43.1 -12.6 67 1080 A G < + 0 0 26 -4,-2.3 56,-2.8 -5,-0.3 2,-0.3 0.535 66.6 81.6 80.0 2.4 47.2 43.2 -12.9 68 1081 A V E + G 0 122B 18 -5,-0.4 2,-0.3 54,-0.3 54,-0.2 -0.934 52.3 160.1-136.1 155.1 47.1 46.9 -13.6 69 1082 A L E - G 0 121B 0 52,-1.9 52,-2.4 -2,-0.3 2,-0.4 -0.967 29.0-125.5-164.0 165.6 46.8 49.9 -11.2 70 1083 A S E -DG 24 120B 0 -46,-2.5 -46,-1.7 -2,-0.3 2,-0.5 -0.976 10.4-149.0-123.2 146.4 47.4 53.6 -10.9 71 1084 A V E -DG 23 119B 0 48,-2.2 48,-2.4 -2,-0.4 2,-0.6 -0.966 16.4-171.0-112.0 124.9 49.4 55.4 -8.2 72 1085 A N E -DG 22 118B 0 -50,-2.1 -50,-2.0 -2,-0.5 2,-0.6 -0.882 12.1-155.3-127.6 97.3 48.1 58.9 -7.5 73 1086 A W E -DG 21 117B 14 44,-2.0 43,-1.7 -2,-0.6 44,-1.2 -0.622 28.3-130.6 -72.5 119.1 50.1 61.2 -5.3 74 1087 A L - 0 0 5 -54,-2.4 77,-2.3 -2,-0.6 -54,-0.3 -0.381 9.8-129.3 -80.0 147.7 47.5 63.6 -3.8 75 1088 A A B > -I 150 0C 11 75,-0.3 3,-2.0 39,-0.2 -1,-0.1 -0.461 37.2 -94.0 -85.3 162.2 47.8 67.4 -3.7 76 1089 A A G > S+ 0 0 22 73,-3.1 3,-0.5 1,-0.3 76,-0.1 0.802 122.9 55.8 -45.8 -34.1 47.4 69.5 -0.6 77 1090 A G G 3 S+ 0 0 80 72,-0.3 -1,-0.3 1,-0.2 3,-0.3 0.339 91.4 74.3 -85.0 11.7 43.6 70.1 -1.4 78 1091 A Q G <> + 0 0 15 -3,-2.0 4,-2.0 1,-0.2 3,-0.4 0.013 46.3 121.2-119.7 25.7 42.7 66.4 -1.6 79 1092 A A H <> S+ 0 0 20 -3,-0.5 4,-2.4 1,-0.3 5,-0.2 0.873 77.0 58.5 -60.0 -35.8 42.6 65.2 2.0 80 1093 A V H > S+ 0 0 109 -3,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.891 102.4 53.0 -61.9 -40.2 39.0 64.3 1.5 81 1094 A I H > S+ 0 0 25 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.980 111.2 47.3 -56.9 -48.6 40.0 62.0 -1.4 82 1095 A S H X S+ 0 0 1 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.895 111.4 49.9 -55.2 -43.8 42.5 60.3 1.0 83 1096 A Q H >X>S+ 0 0 70 -4,-2.4 5,-2.2 1,-0.2 3,-0.7 0.926 110.1 51.9 -65.7 -41.5 39.9 60.0 3.7 84 1097 A T H ><5S+ 0 0 32 -4,-2.6 3,-1.1 1,-0.2 7,-0.3 0.941 111.3 45.0 -61.8 -46.7 37.4 58.4 1.3 85 1098 A F H 3<5S+ 0 0 5 -4,-2.5 -50,-1.6 1,-0.3 -1,-0.2 0.540 108.1 58.0 -76.5 -5.8 39.9 55.8 0.1 86 1099 A A H <<5S- 0 0 65 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.454 122.5-106.7 -96.0 -6.1 41.0 55.0 3.7 87 1100 A G T X<5 + 0 0 28 -3,-1.1 3,-2.2 -4,-0.5 2,-0.2 0.509 64.6 155.6 92.5 6.4 37.4 54.2 4.4 88 1101 A V T 3 - 0 0 65 0, 0.0 3,-1.5 0, 0.0 4,-0.4 -0.198 30.2-113.0 -56.1 141.4 31.1 51.8 -0.6 93 1106 A M G > S+ 0 0 19 1,-0.3 3,-1.6 2,-0.2 4,-0.2 0.860 112.8 42.3 -46.9 -53.4 34.0 50.7 -2.8 94 1107 A E G > S+ 0 0 127 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.699 107.6 61.8 -76.2 -12.8 32.3 51.2 -6.2 95 1108 A E G X S+ 0 0 134 -3,-1.5 3,-0.7 1,-0.2 -1,-0.3 0.431 84.1 83.2 -83.7 1.8 30.8 54.6 -5.2 96 1109 A R G < S+ 0 0 32 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.1 0.667 84.6 53.8 -81.4 -14.2 34.2 56.0 -4.6 97 1110 A F G < + 0 0 26 -3,-0.6 2,-1.7 -4,-0.2 -1,-0.2 -0.016 67.2 128.0-113.4 24.4 34.9 57.0 -8.2 98 1111 A A < + 0 0 84 -3,-0.7 2,-0.2 3,-0.1 -1,-0.1 -0.599 51.7 78.1 -84.8 75.7 31.8 59.1 -8.9 99 1112 A D S > S- 0 0 73 -2,-1.7 3,-2.3 3,-0.1 -3,-0.0 -0.761 84.9-111.4-178.0 141.9 33.5 62.3 -10.3 100 1113 A K T 3 S+ 0 0 171 1,-0.3 13,-0.1 -2,-0.2 -2,-0.0 0.618 101.8 85.2 -46.0 -18.2 35.1 63.6 -13.5 101 1114 A G T 3 S+ 0 0 14 11,-0.1 12,-2.9 12,-0.1 2,-0.6 0.749 79.4 70.8 -61.8 -28.5 38.4 63.6 -11.7 102 1115 A W E < +J 112 0D 25 -3,-2.3 2,-0.3 10,-0.2 10,-0.2 -0.838 62.3 155.7 -93.5 124.3 39.0 60.0 -12.5 103 1116 A Q E -J 111 0D 76 8,-2.3 8,-3.5 -2,-0.6 2,-0.2 -0.925 40.4-104.7-137.6 167.0 39.7 59.0 -16.2 104 1117 A T + 0 0 92 -2,-0.3 5,-0.0 6,-0.2 16,-0.0 -0.554 34.4 166.9 -85.4 148.4 41.4 56.2 -18.1 105 1118 A I - 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