==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-FEB-09 3GCE . COMPND 2 MOLECULE: FERREDOXIN COMPONENT OF CARBAZOLE 1,9A- . SOURCE 2 ORGANISM_SCIENTIFIC: NOCARDIOIDES AROMATICIVORANS; . AUTHOR K.INOUE,H.NOJIRI . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 62.5 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 . 40 38.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 3.8 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 . 3 2.9 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 . 12 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 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 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 1 2 2 1 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 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 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 9 A S 0 0 165 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 34.2 25.0 5.0 12.6 2 10 A T - 0 0 110 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.697 360.0-174.3-133.0 157.0 23.5 5.7 15.0 3 11 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 99,-0.2 -0.108 38.1-105.8 -79.7-174.5 20.0 6.8 15.9 4 12 A V E -A 101 0A 28 97,-2.5 97,-2.6 18,-0.0 2,-0.6 -0.975 20.6-144.5-114.9 123.7 18.8 7.8 19.4 5 13 A R E +A 100 0A 123 -2,-0.5 95,-0.2 95,-0.2 3,-0.1 -0.789 24.5 172.2 -85.9 121.4 16.6 5.3 21.3 6 14 A V E - 0 0 14 93,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.763 54.2 -37.2-100.9 -31.8 14.2 7.5 23.3 7 15 A A E -A 99 0A 3 92,-0.7 92,-3.4 5,-0.0 -1,-0.4 -0.968 61.1 -83.9-176.4 169.5 11.7 5.0 24.8 8 16 A T E >> -A 98 0A 20 -2,-0.3 3,-2.1 90,-0.2 4,-0.5 -0.750 47.1-113.7 -89.4 144.9 9.8 1.8 24.3 9 17 A L G >4 S+ 0 0 23 88,-3.0 3,-1.4 -2,-0.3 -1,-0.1 0.858 114.6 47.8 -50.1 -44.9 6.5 2.3 22.4 10 18 A D G 34 S+ 0 0 120 1,-0.3 -1,-0.3 87,-0.2 87,-0.0 0.491 95.3 72.4 -85.6 2.0 4.2 1.4 25.4 11 19 A Q G <4 S+ 0 0 119 -3,-2.1 2,-0.6 1,-0.1 -1,-0.3 0.625 90.7 76.3 -77.3 -15.5 6.1 3.7 27.7 12 20 A L S << S- 0 0 7 -3,-1.4 -1,-0.1 -4,-0.5 3,-0.1 -0.872 83.1-137.0 -99.6 120.2 4.4 6.4 25.7 13 21 A K > - 0 0 144 -2,-0.6 3,-2.2 3,-0.1 18,-0.5 -0.558 37.1-104.1 -66.7 129.3 0.7 7.0 26.4 14 22 A P T 3 S+ 0 0 81 0, 0.0 18,-0.2 0, 0.0 -1,-0.1 -0.323 104.5 13.0 -58.3 139.7 -1.0 7.4 23.1 15 23 A G T 3 S+ 0 0 27 16,-3.3 40,-0.3 1,-0.2 17,-0.1 0.414 98.5 113.6 76.6 0.1 -1.8 11.1 22.4 16 24 A V < - 0 0 59 -3,-2.2 15,-0.3 15,-0.1 -1,-0.2 -0.909 59.5-144.2-106.9 108.5 0.5 12.3 25.2 17 25 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.391 20.9 179.0 -71.0 142.7 3.5 14.3 23.8 18 26 A T E -C 29 0B 52 11,-2.6 11,-3.1 -2,-0.1 2,-0.4 -0.905 20.0-129.1-134.3 168.3 6.9 14.1 25.5 19 27 A A E -C 28 0B 26 -2,-0.3 2,-0.3 9,-0.3 9,-0.2 -0.937 22.1-179.3-122.8 147.4 10.3 15.6 24.7 20 28 A F E -C 27 0B 49 7,-2.0 7,-3.2 -2,-0.4 2,-0.6 -0.966 33.2-109.8-139.2 149.3 13.7 13.9 24.5 21 29 A D E -C 26 0B 107 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.754 31.4-173.9 -78.0 122.4 17.2 15.0 23.8 22 30 A V E > S-C 25 0B 0 3,-3.5 3,-1.8 -2,-0.6 82,-0.4 -0.861 72.0 -41.8-120.8 91.1 18.3 13.7 20.4 23 31 A D T 3 S- 0 0 114 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.896 123.3 -39.4 59.1 44.0 22.0 14.5 20.0 24 32 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 79,-0.0 -1,-0.3 0.144 121.4 105.3 91.9 -20.5 21.7 18.0 21.6 25 33 A D E < -C 22 0B 39 -3,-1.8 -3,-3.5 15,-0.0 2,-0.5 -0.813 69.8-130.1 -97.4 136.0 18.3 18.8 19.9 26 34 A E E -C 21 0B 77 -2,-0.4 15,-2.6 -5,-0.2 2,-0.5 -0.707 30.0-168.9 -87.5 126.1 15.1 18.7 21.9 27 35 A V E -CD 20 40B 0 -7,-3.2 -7,-2.0 -2,-0.5 2,-0.5 -0.960 18.5-141.2-126.9 124.8 12.5 16.6 20.1 28 36 A M E -CD 19 39B 1 11,-2.7 11,-2.1 -2,-0.5 2,-0.4 -0.728 22.6-169.3 -82.3 128.7 8.8 16.2 20.8 29 37 A V E +CD 18 38B 0 -11,-3.1 -11,-2.6 -2,-0.5 2,-0.3 -0.961 7.8 175.3-121.4 135.3 7.6 12.6 20.3 30 38 A V E - D 0 37B 0 7,-2.2 7,-2.7 -2,-0.4 2,-0.4 -0.995 20.1-142.0-144.1 136.5 4.0 11.6 20.2 31 39 A R E - D 0 36B 30 -18,-0.5 -16,-3.3 -2,-0.3 2,-0.4 -0.780 14.9-179.9 -92.0 137.6 2.2 8.3 19.6 32 40 A D E > S- D 0 35B 49 3,-2.5 3,-2.8 -2,-0.4 2,-0.1 -0.969 70.9 -41.0-131.7 122.9 -1.1 8.1 17.7 33 41 A G T 3 S- 0 0 48 -2,-0.4 -18,-0.1 1,-0.3 -2,-0.0 -0.443 124.0 -33.0 57.6-126.8 -2.5 4.6 17.3 34 42 A D T 3 S+ 0 0 128 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.2 0.343 120.3 102.7-100.8 4.9 0.7 2.6 16.6 35 43 A S E < -D 32 0B 58 -3,-2.8 -3,-2.5 2,-0.0 2,-0.4 -0.586 56.3-155.9 -87.2 149.9 2.3 5.4 14.7 36 44 A V E -D 31 0B 20 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.994 8.3-168.8-125.6 135.9 5.0 7.6 16.3 37 45 A Y E -D 30 0B 44 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.4 -0.910 1.0-168.3-123.1 150.7 5.8 11.2 15.1 38 46 A A E +D 29 0B 4 52,-0.4 52,-2.5 35,-0.4 2,-0.3 -0.991 13.9 156.5-144.3 129.5 8.7 13.4 16.0 39 47 A I E -DE 28 89B 1 -11,-2.1 -11,-2.7 -2,-0.4 50,-0.2 -0.924 54.0 -69.6-140.6 165.9 9.3 17.1 15.5 40 48 A S E -D 27 0B 25 48,-2.8 -13,-0.3 -2,-0.3 10,-0.1 -0.325 38.5-141.0 -53.1 138.2 11.5 19.8 17.1 41 49 A N S S+ 0 0 0 -15,-2.6 9,-2.8 -21,-0.1 2,-0.6 0.561 77.3 90.4 -80.1 -10.7 10.1 20.6 20.5 42 50 A L B S-F 49 0C 53 -16,-0.4 7,-0.2 7,-0.2 5,-0.1 -0.813 79.7-127.4 -94.0 122.4 10.8 24.3 20.1 43 51 A C - 0 0 10 5,-2.5 5,-0.3 -2,-0.6 -2,-0.1 -0.317 10.0-140.3 -61.2 142.2 8.0 26.4 18.6 44 52 A S S S+ 0 0 47 41,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.634 94.8 64.2 -79.5 -11.3 9.2 28.4 15.5 45 53 A H S S- 0 0 86 1,-0.3 2,-0.3 40,-0.1 -1,-0.2 0.943 122.1 -35.9 -80.3 -48.3 7.1 31.5 16.6 46 54 A A S S- 0 0 44 2,-0.1 2,-0.8 0, 0.0 -1,-0.3 -0.894 90.5 -50.9-156.6-177.5 8.9 32.3 19.8 47 55 A E S S+ 0 0 132 -2,-0.3 2,-0.3 -3,-0.1 -3,-0.1 -0.554 80.0 127.3 -69.7 110.0 10.5 30.4 22.7 48 56 A A - 0 0 9 -2,-0.8 -5,-2.5 -5,-0.3 2,-0.6 -0.958 55.6-121.1-157.5 159.1 8.0 27.8 23.8 49 57 A Y B > -F 42 0C 85 -2,-0.3 3,-1.7 -7,-0.2 -7,-0.2 -0.880 14.6-157.9-112.9 109.9 8.0 24.0 24.3 50 58 A L G > S+ 0 0 0 -9,-2.8 3,-2.2 -2,-0.6 13,-0.1 0.791 86.3 65.7 -62.5 -34.9 5.5 22.1 22.2 51 59 A D G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -10,-0.3 4,-0.1 0.708 97.6 58.5 -59.2 -20.8 5.3 18.9 24.4 52 60 A M G < S+ 0 0 136 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.452 99.6 76.6 -87.8 -1.8 3.8 21.1 27.1 53 61 A G S < S- 0 0 16 -3,-2.2 2,-0.5 -4,-0.2 11,-0.2 0.104 94.8 -74.3 -87.8-155.2 0.9 22.1 24.7 54 62 A V E -G 63 0D 80 9,-1.6 9,-2.8 -38,-0.1 2,-0.5 -0.923 33.4-145.4-116.1 127.0 -2.1 20.1 23.5 55 63 A F E -G 62 0D 23 -2,-0.5 2,-0.8 -40,-0.3 7,-0.2 -0.810 5.4-157.1 -92.9 131.2 -2.1 17.3 21.1 56 64 A H E >>> -G 61 0D 27 5,-3.4 5,-1.6 -2,-0.5 4,-1.2 -0.876 8.2-174.6-108.2 95.9 -5.1 17.0 18.7 57 65 A A T 345S+ 0 0 42 -2,-0.8 3,-0.2 1,-0.2 -1,-0.2 0.847 79.4 60.6 -61.4 -34.6 -5.2 13.3 17.6 58 66 A E T 345S+ 0 0 150 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.819 121.2 23.6 -65.3 -34.6 -8.1 13.9 15.1 59 67 A S T <45S- 0 0 41 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.380 102.9-123.6-111.2 0.3 -6.1 16.4 13.1 60 68 A L T <5 + 0 0 21 -4,-1.2 13,-2.3 1,-0.2 14,-0.5 0.886 64.4 139.5 53.7 44.5 -2.5 15.2 14.1 61 69 A E E < -GH 56 72D 27 -5,-1.6 -5,-3.4 11,-0.2 2,-0.5 -0.926 47.6-148.4-116.1 141.6 -1.6 18.7 15.3 62 70 A I E -GH 55 71D 0 9,-2.1 9,-1.9 -2,-0.4 2,-0.5 -0.930 18.4-146.2-101.4 134.8 0.3 19.8 18.3 63 71 A E E -GH 54 70D 36 -9,-2.8 -9,-1.6 -2,-0.5 7,-0.2 -0.895 18.1-120.7-107.5 123.3 -0.9 23.2 19.7 64 72 A C > - 0 0 2 5,-2.7 4,-1.0 -2,-0.5 -14,-0.1 -0.361 14.2-139.6 -62.0 136.6 1.8 25.4 21.2 65 73 A P T 4 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 0.709 93.2 53.0 -70.8 -15.2 1.0 26.2 24.9 66 74 A L T 4 S- 0 0 95 1,-0.1 -18,-0.0 -20,-0.1 -19,-0.0 0.959 132.6 -3.0 -91.8 -56.8 2.1 29.8 24.6 67 75 A H T 4 S- 0 0 86 -21,-0.1 16,-0.1 2,-0.1 -1,-0.1 0.187 93.3-119.0-122.2 14.3 0.2 31.5 21.7 68 76 A V < + 0 0 75 -4,-1.0 2,-0.0 1,-0.1 13,-0.0 0.702 55.5 155.6 56.1 27.3 -1.6 28.3 20.6 69 77 A G - 0 0 1 -6,-0.1 -5,-2.7 13,-0.1 2,-0.3 -0.282 33.0-135.7 -58.5 165.7 -0.2 28.2 17.1 70 78 A R E -HI 63 80D 61 10,-1.4 9,-3.0 -7,-0.2 10,-1.2 -0.968 18.3-164.2-134.7 151.9 -0.2 24.7 15.6 71 79 A F E -HI 62 78D 0 -9,-1.9 -9,-2.1 -2,-0.3 2,-0.6 -0.973 29.3-116.9-126.7 148.9 2.1 22.3 13.7 72 80 A D E >> -H 61 0D 17 5,-2.9 4,-2.8 -2,-0.3 3,-0.8 -0.739 22.7-150.9 -75.8 119.8 1.4 19.1 11.8 73 81 A V T 34 S+ 0 0 2 -13,-2.3 -35,-0.4 -2,-0.6 -1,-0.1 0.667 91.9 61.6 -68.7 -16.8 3.3 16.4 13.7 74 82 A R T 34 S+ 0 0 140 -14,-0.5 -1,-0.2 -37,-0.1 -36,-0.1 0.783 126.8 6.0 -74.7 -29.2 3.8 14.4 10.5 75 83 A T T <4 S- 0 0 75 -3,-0.8 14,-0.3 2,-0.1 -2,-0.2 0.538 91.0-114.9-134.2 -17.3 5.8 17.1 8.7 76 84 A G < + 0 0 0 -4,-2.8 11,-2.3 1,-0.3 -3,-0.1 0.500 62.8 153.4 81.8 4.7 6.6 20.0 11.0 77 85 A A - 0 0 34 -5,-0.4 -5,-2.9 9,-0.2 -1,-0.3 -0.436 50.7-114.4 -70.2 142.9 4.4 22.2 8.8 78 86 A P E +I 71 0D 40 0, 0.0 -7,-0.3 0, 0.0 3,-0.1 -0.566 38.4 171.5 -74.2 136.2 2.7 25.3 10.5 79 87 A T E + 0 0 61 -9,-3.0 2,-0.3 1,-0.3 -8,-0.2 0.431 58.5 32.9-130.5 -3.6 -1.0 24.8 10.5 80 88 A A E > S-I 70 0D 33 -10,-1.2 3,-1.5 3,-0.1 -10,-1.4 -0.959 89.2 -70.9-154.4 138.1 -2.4 27.6 12.7 81 89 A L T 3 S+ 0 0 141 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.302 108.2 36.1 -61.1 151.4 -1.4 31.2 13.4 82 90 A P T 3 S+ 0 0 41 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 -0.987 104.6 82.6 -85.5 10.5 0.7 32.6 14.8 83 91 A C < + 0 0 7 -3,-1.5 -13,-0.2 1,-0.2 -3,-0.1 -0.587 43.9 155.0 -72.6 128.6 3.0 29.8 13.6 84 92 A V + 0 0 99 -2,-0.4 -1,-0.2 1,-0.2 -3,-0.1 0.449 53.4 62.1-129.4 -13.7 4.0 30.6 10.0 85 93 A L S S- 0 0 117 -8,-0.1 -41,-0.3 1,-0.0 -1,-0.2 -0.951 82.1-115.3-121.0 141.6 7.3 28.8 9.6 86 94 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.247 20.5-138.0 -69.7 156.9 7.8 25.0 9.8 87 95 A V - 0 0 15 -11,-2.3 2,-0.1 1,-0.1 -44,-0.1 -0.754 38.3 -81.2-104.3 164.2 9.9 23.2 12.4 88 96 A R - 0 0 140 -2,-0.3 -48,-2.8 -49,-0.1 2,-0.4 -0.395 39.2-148.1 -65.1 134.4 12.2 20.3 11.7 89 97 A A B -E 39 0B 42 -14,-0.3 2,-0.4 -50,-0.2 -50,-0.3 -0.839 12.1-146.0 -98.7 144.3 10.6 16.9 11.4 90 98 A Y - 0 0 17 -52,-2.5 -52,-0.4 -2,-0.4 2,-0.2 -0.924 16.0-116.1-115.9 139.7 12.7 13.9 12.6 91 99 A D - 0 0 132 -2,-0.4 11,-2.5 11,-0.3 2,-0.4 -0.531 36.1-169.6 -75.4 139.2 12.6 10.4 11.0 92 100 A V E -B 101 0A 36 9,-0.2 2,-0.4 -2,-0.2 9,-0.2 -0.993 13.3-177.5-135.3 137.7 11.4 7.7 13.4 93 101 A V E -B 100 0A 85 7,-2.3 7,-3.1 -2,-0.4 2,-0.6 -0.978 18.1-146.7-128.3 138.8 11.3 4.0 13.3 94 102 A V E +B 99 0A 61 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.963 25.2 177.6 -99.7 121.2 9.8 1.5 15.8 95 103 A D E > -B 98 0A 107 3,-2.4 3,-2.1 -2,-0.6 -2,-0.0 -0.982 68.3 -19.7-130.0 117.9 12.0 -1.6 15.9 96 104 A G T 3 S- 0 0 66 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.892 127.9 -52.1 49.7 48.5 11.2 -4.4 18.3 97 105 A T T 3 S+ 0 0 54 1,-0.2 -88,-3.0 -89,-0.1 2,-0.4 0.132 112.9 121.7 70.2 -3.7 9.2 -2.0 20.5 98 106 A E E < -AB 8 95A 62 -3,-2.1 -3,-2.4 -90,-0.2 2,-0.7 -0.620 59.7-137.3 -94.2 131.3 12.0 0.5 20.7 99 107 A I E -AB 7 94A 0 -92,-3.4 -93,-2.3 -2,-0.4 -92,-0.7 -0.757 24.5-170.9 -89.7 115.6 11.4 4.0 19.4 100 108 A L E -AB 5 93A 47 -7,-3.1 -7,-2.3 -2,-0.7 2,-0.4 -0.923 6.1-164.8-113.8 130.8 14.4 5.2 17.4 101 109 A V E -AB 4 92A 0 -97,-2.6 -97,-2.5 -2,-0.5 -9,-0.2 -0.943 19.2-130.7-116.5 126.9 14.9 8.8 16.2 102 110 A A - 0 0 41 -11,-2.5 -11,-0.3 -2,-0.4 -80,-0.0 -0.625 31.5-122.9 -74.2 128.8 17.5 9.8 13.5 103 111 A P 0 0 41 0, 0.0 -80,-0.1 0, 0.0 -12,-0.1 -0.308 360.0 360.0 -71.7 158.1 19.5 12.7 14.7 104 112 A K 0 0 150 -82,-0.4 -81,-0.1 -81,-0.1 -2,-0.0 0.885 360.0 360.0 -48.2 360.0 19.8 16.0 12.8