==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-APR-99 1CJC . COMPND 2 MOLECULE: PROTEIN (ADRENODOXIN REDUCTASE); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.A.ZIEGLER,C.VONRHEIN,G.E.SCHULZ . 455 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 1 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 . 23 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 3 0 0 2 4 1 0 2 0 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 4 3 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 . 3 2 0 0 0 0 1 0 1 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 . 1 1 0 0 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 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 6 A T 0 0 105 0, 0.0 398,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 90.4 0.6 14.2 -12.5 2 7 A P - 0 0 15 0, 0.0 26,-2.8 0, 0.0 2,-0.6 -0.383 360.0-148.7 -60.8 133.8 0.2 12.6 -9.1 3 8 A Q E +a 28 0A 28 24,-0.2 88,-2.1 -2,-0.1 89,-1.4 -0.954 20.2 177.3-112.1 114.3 2.4 14.2 -6.4 4 9 A I E -ab 29 92A 0 24,-2.4 26,-2.7 -2,-0.6 2,-0.4 -0.940 11.5-159.8-121.4 141.5 3.5 11.9 -3.6 5 10 A C E -ab 30 93A 0 87,-2.3 89,-2.8 -2,-0.4 2,-0.4 -0.925 1.1-160.2-121.6 143.9 5.8 12.6 -0.7 6 11 A V E -ab 31 94A 0 24,-2.7 26,-3.1 -2,-0.4 2,-0.8 -0.986 9.8-147.9-123.1 130.5 7.8 10.3 1.4 7 12 A V E S+ab 32 95A 6 87,-2.9 89,-2.6 -2,-0.4 26,-0.2 -0.863 72.3 25.5-105.0 97.9 9.1 11.2 5.0 8 13 A G - 0 0 8 24,-3.0 25,-0.2 -2,-0.8 24,-0.1 0.085 63.6-137.4 119.8 131.2 12.4 9.4 5.6 9 14 A S + 0 0 0 4,-0.2 30,-1.6 28,-0.2 24,-0.1 -0.075 65.3 111.6-108.2 29.6 15.1 8.2 3.2 10 15 A G S > S- 0 0 13 86,-0.5 4,-2.5 29,-0.1 5,-0.2 -0.164 94.8 -70.4 -81.0-167.3 15.9 4.8 4.8 11 16 A P H > S+ 0 0 19 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.854 134.3 55.3 -55.9 -40.2 14.9 1.5 3.1 12 17 A A H > S+ 0 0 8 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.931 110.3 44.1 -63.7 -44.3 11.2 2.1 3.7 13 18 A G H > S+ 0 0 0 83,-0.4 4,-2.8 -3,-0.2 5,-0.2 0.943 117.9 44.5 -64.3 -47.8 11.2 5.5 2.0 14 19 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.884 114.2 46.8 -65.6 -42.7 13.2 4.3 -0.9 15 20 A Y H X S+ 0 0 16 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.873 112.8 50.8 -71.4 -33.0 11.4 1.0 -1.5 16 21 A T H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.957 113.2 46.5 -66.2 -44.3 8.1 2.8 -1.3 17 22 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.911 111.2 51.7 -61.0 -44.9 9.4 5.4 -3.8 18 23 A Q H X S+ 0 0 45 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.921 110.2 48.8 -60.6 -42.6 10.7 2.6 -6.1 19 24 A H H X S+ 0 0 15 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.965 111.9 48.7 -64.7 -43.4 7.4 0.8 -6.1 20 25 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 7,-0.2 0.897 114.4 44.5 -63.2 -40.9 5.4 4.0 -6.9 21 26 A L H < S+ 0 0 16 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 113.6 50.6 -73.9 -33.1 7.7 5.0 -9.8 22 27 A K H < S+ 0 0 162 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.898 119.7 34.7 -69.8 -40.9 7.8 1.5 -11.2 23 28 A H H < S+ 0 0 107 -4,-2.4 2,-0.4 -5,-0.2 -2,-0.2 0.444 115.3 54.1 -94.9 -7.2 4.0 1.1 -11.2 24 29 A H < - 0 0 43 -4,-1.2 -1,-0.2 -5,-0.2 362,-0.0 -0.970 64.9-160.5-131.5 114.9 2.8 4.6 -12.0 25 30 A S S S+ 0 0 101 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.1 0.640 87.8 30.7 -70.9 -15.5 4.3 6.1 -15.1 26 31 A R S S+ 0 0 142 2,-0.1 -1,-0.2 42,-0.0 -5,-0.1 0.629 85.4 116.2-114.3 -27.8 3.6 9.7 -14.3 27 32 A A - 0 0 0 -7,-0.2 2,-0.4 -26,-0.1 -24,-0.2 -0.102 51.4-146.9 -48.6 143.3 3.7 10.1 -10.5 28 33 A H E -a 3 0A 41 -26,-2.8 -24,-2.4 2,-0.0 2,-0.5 -0.895 11.2-158.7-110.9 138.1 6.4 12.3 -9.0 29 34 A V E -ac 4 69A 0 39,-2.6 41,-2.0 -2,-0.4 2,-0.5 -0.975 5.7-166.0-125.1 128.4 7.9 11.3 -5.6 30 35 A D E -ac 5 70A 0 -26,-2.7 -24,-2.7 -2,-0.5 2,-0.5 -0.932 8.7-154.5-109.1 131.8 9.7 13.6 -3.3 31 36 A I E -ac 6 71A 0 39,-3.1 41,-3.0 -2,-0.5 2,-0.3 -0.922 7.4-162.7-111.6 117.1 11.7 12.1 -0.4 32 37 A Y E +ac 7 72A 1 -26,-3.1 -24,-3.0 -2,-0.5 2,-0.3 -0.773 10.5 179.7 -97.0 142.8 12.3 14.3 2.7 33 38 A E - 0 0 16 39,-2.2 42,-2.6 -2,-0.3 41,-0.4 -0.981 27.9-150.8-148.3 136.1 15.0 13.5 5.2 34 39 A K S S+ 0 0 61 -2,-0.3 42,-0.2 40,-0.2 -1,-0.1 0.814 80.5 73.0 -77.1 -33.6 16.1 15.1 8.4 35 40 A Q S S- 0 0 31 2,-0.2 39,-2.4 40,-0.1 40,-0.3 -0.297 91.4-117.4 -73.0 166.0 19.8 14.0 8.2 36 41 A L S S+ 0 0 18 37,-0.2 37,-0.2 38,-0.1 -1,-0.1 0.635 98.4 50.0 -76.8 -17.8 22.0 15.8 5.7 37 42 A V S S- 0 0 3 388,-0.0 3,-0.4 1,-0.0 -2,-0.2 -0.907 82.4-121.1-123.1 153.3 22.5 12.5 3.9 38 43 A P S S+ 0 0 0 0, 0.0 -28,-0.1 0, 0.0 5,-0.1 -0.215 72.9 61.7 -83.0 174.5 20.2 9.7 2.7 39 44 A F > - 0 0 5 -30,-1.6 3,-2.0 -29,-0.1 4,-0.2 0.217 65.9-152.6 98.8 -7.5 19.8 6.0 3.5 40 45 A G T >> S+ 0 0 20 -3,-0.4 4,-2.5 1,-0.3 3,-1.3 -0.166 74.5 2.2 50.4-136.8 19.0 5.8 7.1 41 46 A L H 3>>S+ 0 0 55 1,-0.3 5,-2.6 2,-0.2 4,-2.3 0.634 120.1 73.7 -62.6 -13.8 20.1 2.7 8.9 42 47 A V H <45S+ 0 0 0 -3,-2.0 -1,-0.3 3,-0.2 -2,-0.2 0.925 113.9 26.4 -64.2 -37.4 21.7 1.3 5.8 43 48 A R H <45S+ 0 0 16 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.2 0.861 136.4 31.3 -84.8 -45.2 24.5 3.9 6.4 44 49 A F H <5S+ 0 0 14 -4,-2.5 82,-0.3 83,-0.1 -3,-0.2 0.537 127.6 31.8 -97.3 -11.6 24.1 4.2 10.2 45 50 A G T <5S+ 0 0 19 -4,-2.3 -3,-0.2 -5,-0.2 -4,-0.1 0.737 91.9 84.5-107.6 -60.5 23.0 0.8 11.4 46 51 A V S - 0 0 0 1,-0.1 3,-1.8 2,-0.1 7,-0.2 -0.307 16.2-123.1 -61.6 149.7 27.9 -2.9 10.3 48 53 A P T 3 S+ 0 0 2 0, 0.0 122,-0.6 0, 0.0 -1,-0.1 0.731 113.3 56.2 -64.0 -24.9 31.0 -1.7 8.5 49 54 A D T 3 S+ 0 0 37 1,-0.2 3,-0.1 120,-0.1 -2,-0.1 0.217 97.5 66.1 -91.8 10.4 32.1 -5.4 8.1 50 55 A H X> + 0 0 7 -3,-1.8 3,-1.2 1,-0.1 4,-0.8 -0.386 57.4 146.5-121.7 51.2 28.8 -6.2 6.4 51 56 A P G >4 + 0 0 67 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.828 65.0 66.9 -58.0 -34.1 29.3 -4.1 3.2 52 57 A E G >4 S+ 0 0 88 1,-0.3 3,-1.4 2,-0.2 4,-0.2 0.828 95.9 56.2 -54.8 -39.6 27.4 -6.5 1.2 53 58 A V G X4 S+ 0 0 46 -3,-1.2 3,-0.9 1,-0.3 -1,-0.3 0.838 100.6 58.8 -64.5 -32.4 24.2 -5.6 3.1 54 59 A K G X< S+ 0 0 18 -4,-0.8 3,-2.3 -3,-0.7 -1,-0.3 0.540 75.2 97.2 -74.0 -10.1 24.7 -2.0 2.1 55 60 A N G X> + 0 0 100 -3,-1.4 3,-2.0 -4,-0.3 4,-0.6 0.679 61.5 80.9 -59.5 -14.8 24.6 -2.7 -1.6 56 61 A V H <> S+ 0 0 32 -3,-0.9 4,-2.2 1,-0.3 3,-0.5 0.788 76.1 77.2 -60.2 -18.4 20.9 -1.8 -1.7 57 62 A I H <> S+ 0 0 38 -3,-2.3 4,-2.5 1,-0.3 -1,-0.3 0.833 84.1 62.7 -62.2 -30.7 22.2 1.8 -1.8 58 63 A N H <> S+ 0 0 100 -3,-2.0 4,-1.9 2,-0.2 -1,-0.3 0.946 106.8 41.0 -64.5 -41.5 23.0 1.2 -5.5 59 64 A T H X S+ 0 0 62 -4,-0.6 4,-2.1 -3,-0.5 -2,-0.2 0.910 113.8 53.7 -73.3 -33.6 19.3 0.7 -6.4 60 65 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.912 107.2 52.4 -59.6 -42.3 18.3 3.5 -4.1 61 66 A T H X S+ 0 0 16 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.897 106.5 52.9 -64.9 -35.9 20.8 5.8 -6.0 62 67 A Q H < S+ 0 0 118 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.916 110.5 47.3 -66.8 -41.2 19.3 4.8 -9.4 63 68 A T H >< S+ 0 0 16 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.931 111.0 51.8 -63.3 -44.1 15.8 5.8 -8.1 64 69 A A H 3< S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 107.2 52.6 -64.8 -28.3 17.1 9.1 -6.7 65 70 A R T 3< S+ 0 0 132 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.512 88.3 111.4 -85.3 -3.7 18.7 10.0 -10.0 66 71 A S S X S- 0 0 43 -3,-1.3 3,-1.5 -4,-0.5 -3,-0.0 -0.255 79.2-117.3 -74.5 155.9 15.5 9.5 -11.9 67 72 A D T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -39,-0.0 -4,-0.0 0.796 111.9 49.3 -59.9 -31.5 13.6 12.3 -13.5 68 73 A R T 3 S+ 0 0 71 -5,-0.1 -39,-2.6 -40,-0.1 2,-0.3 0.286 100.3 73.3 -96.3 13.6 10.5 11.6 -11.4 69 74 A C E < -c 29 0A 11 -3,-1.5 2,-0.3 -41,-0.2 -39,-0.2 -0.937 52.9-177.4-128.4 144.8 12.2 11.5 -7.9 70 75 A A E -c 30 0A 22 -41,-2.0 -39,-3.1 -2,-0.3 2,-0.4 -0.988 14.1-145.2-139.9 146.0 13.7 14.3 -5.8 71 76 A F E -c 31 0A 5 -2,-0.3 348,-0.4 -41,-0.2 2,-0.3 -0.910 8.8-172.1-113.5 139.4 15.5 14.2 -2.5 72 77 A Y E +c 32 0A 33 -41,-3.0 -39,-2.2 -2,-0.4 3,-0.4 -0.696 14.9 176.8-129.8 78.0 15.2 16.9 0.2 73 78 A G B +G 417 0B 0 344,-2.9 344,-2.1 -2,-0.3 -37,-0.2 -0.265 62.3 43.9 -73.0 170.4 17.8 16.2 3.0 74 79 A N S S+ 0 0 45 -39,-2.4 2,-0.5 -41,-0.4 -40,-0.2 0.825 84.4 119.2 59.5 33.3 18.2 18.6 5.9 75 80 A V - 0 0 1 -42,-2.6 2,-0.9 -3,-0.4 -1,-0.2 -0.935 51.1-158.2-129.7 103.7 14.4 18.9 6.3 76 81 A E >>> - 0 0 65 -2,-0.5 4,-2.6 -42,-0.2 3,-2.0 -0.754 16.4-139.4 -84.4 103.7 13.1 17.7 9.6 77 82 A V B 345S+h 81 0C 10 -2,-0.9 5,-0.2 1,-0.3 -43,-0.1 -0.482 91.0 31.6 -64.8 134.6 9.4 16.9 9.1 78 83 A G T 345S+ 0 0 29 3,-3.1 -1,-0.3 -2,-0.2 4,-0.2 0.190 129.1 41.3 100.3 -13.4 7.4 18.1 12.1 79 84 A R T <45S+ 0 0 153 -3,-2.0 -2,-0.2 2,-0.5 3,-0.1 0.608 122.5 26.0-125.2 -60.1 9.8 21.0 12.6 80 85 A D T <5S+ 0 0 23 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.737 138.5 13.4 -81.7 -27.1 10.9 22.7 9.3 81 86 A V B - 0 0 49 -2,-0.3 4,-1.8 -5,-0.2 5,-0.1 -0.564 19.3-118.9 -93.3 162.7 4.6 20.3 9.1 83 88 A V H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.906 115.9 55.0 -63.6 -37.2 2.7 17.2 8.1 84 89 A Q H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 105.0 53.2 -65.5 -38.4 -0.4 19.3 7.3 85 90 A E H > S+ 0 0 34 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.903 111.4 45.8 -60.1 -42.2 1.7 21.4 4.9 86 91 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 3,-0.3 0.941 111.5 52.0 -67.1 -40.3 2.8 18.2 3.2 87 92 A Q H < S+ 0 0 27 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.863 110.4 49.3 -62.7 -35.3 -0.8 16.9 3.1 88 93 A D H < S+ 0 0 87 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.799 115.6 43.5 -73.1 -27.7 -1.9 20.2 1.6 89 94 A A H < S+ 0 0 0 -4,-1.3 312,-3.1 -3,-0.3 2,-0.3 0.766 112.4 49.0 -87.7 -27.7 0.8 20.0 -1.1 90 95 A Y S < S- 0 0 2 -4,-2.1 -86,-0.2 310,-0.2 3,-0.1 -0.812 70.1-130.6-119.0 158.0 0.6 16.4 -2.2 91 96 A H S S+ 0 0 20 -88,-2.1 2,-0.3 -2,-0.3 -87,-0.2 0.816 98.6 8.3 -71.0 -31.3 -2.0 13.9 -3.2 92 97 A A E -b 4 0A 1 -89,-1.4 -87,-2.3 302,-0.1 2,-0.4 -0.994 63.7-157.2-150.4 150.3 -0.5 11.4 -0.7 93 98 A V E -bd 5 357A 1 263,-2.4 265,-3.0 -2,-0.3 2,-0.5 -0.996 8.3-158.8-129.5 130.1 2.1 11.4 2.1 94 99 A V E -bd 6 358A 0 -89,-2.8 -87,-2.9 -2,-0.4 2,-0.5 -0.954 9.0-147.0-115.7 122.8 3.9 8.3 3.3 95 100 A L E +bd 7 359A 0 263,-3.0 265,-2.2 -2,-0.5 -87,-0.1 -0.783 34.1 152.8 -85.6 118.1 5.5 8.3 6.8 96 101 A S + 0 0 6 -89,-2.6 -86,-0.5 -2,-0.5 -83,-0.4 -0.277 20.7 130.9-140.6 45.6 8.6 6.2 6.7 97 102 A Y - 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