==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 14-MAR-02 1L6V . COMPND 2 MOLECULE: ADRENODOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.BEILKE,R.WEISS,F.LOHR,P.PRISTOVSEK,F.HANNEMANN, . 106 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 45.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 6.6 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 . 0 0.0 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-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 0.9 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 . 11 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 5 A D 0 0 178 0, 0.0 20,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 76.2 11.9 -14.5 -5.0 2 6 A K E -A 20 0A 116 18,-0.2 2,-0.4 92,-0.0 18,-0.3 -0.817 360.0-151.2-118.2 158.4 8.5 -13.8 -3.6 3 7 A I E -A 19 0A 6 16,-2.5 16,-4.6 -2,-0.3 2,-0.2 -0.986 9.5-138.4-132.3 141.5 7.3 -11.6 -0.8 4 8 A T E -A 18 0A 41 -2,-0.4 94,-4.5 14,-0.3 95,-0.8 -0.642 18.2-170.9 -97.5 155.5 4.3 -11.9 1.5 5 9 A V E -Ab 17 99A 4 12,-1.2 12,-2.0 93,-0.3 2,-0.5 -0.969 15.7-136.6-143.7 156.2 2.0 -9.1 2.6 6 10 A H E - b 0 100A 56 93,-4.8 95,-4.2 -2,-0.3 2,-0.5 -0.969 13.8-157.1-120.0 129.4 -0.8 -8.6 5.1 7 11 A F E - b 0 101A 10 -2,-0.5 8,-4.0 93,-0.2 7,-1.0 -0.910 10.6-141.2-109.2 129.6 -4.0 -6.7 4.3 8 12 A I + 0 0 33 93,-3.6 95,-0.4 -2,-0.5 2,-0.1 -0.606 25.8 169.4 -87.4 147.5 -6.1 -5.1 7.0 9 13 A N - 0 0 27 -2,-0.2 -1,-0.1 93,-0.1 94,-0.0 -0.238 41.3-106.0-128.4-143.8 -9.9 -5.2 6.8 10 14 A R S S+ 0 0 122 -2,-0.1 -1,-0.0 4,-0.0 -2,-0.0 0.607 106.0 48.9-125.0 -38.2 -12.8 -4.5 9.1 11 15 A D S S- 0 0 157 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.998 143.9 -15.1 -68.0 -74.2 -14.2 -7.9 10.1 12 16 A G S S- 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.476 84.8-152.4-108.8 -9.3 -11.0 -9.7 11.1 13 17 A E + 0 0 92 1,-0.1 -5,-0.2 -5,-0.1 89,-0.0 0.827 62.6 96.5 31.7 101.0 -8.6 -7.2 9.6 14 18 A T + 0 0 107 -7,-1.0 -6,-0.3 87,-0.1 -1,-0.1 0.302 44.3 154.8 160.9 32.1 -5.6 -9.3 8.7 15 19 A L - 0 0 50 -8,-4.0 2,-0.3 -9,-0.1 -6,-0.1 0.417 18.8-172.6 -55.4-155.1 -5.8 -10.3 5.1 16 20 A T - 0 0 44 -10,-0.3 -10,-0.3 -8,-0.1 2,-0.3 -0.912 15.2-165.4 169.3 168.2 -2.7 -11.2 3.1 17 21 A T E -A 5 0A 7 -12,-2.0 -12,-1.2 -2,-0.3 2,-0.4 -0.846 25.9-116.5-175.6 137.7 -1.3 -12.0 -0.3 18 22 A K E -A 4 0A 105 -2,-0.3 -14,-0.3 -14,-0.2 2,-0.2 -0.673 38.4-178.5 -83.7 131.0 1.8 -13.4 -1.9 19 23 A G E -A 3 0A 4 -16,-4.6 -16,-2.5 -2,-0.4 2,-0.4 -0.646 23.0-119.4-121.1 178.1 3.7 -11.0 -4.1 20 24 A K E > -A 2 0A 119 -18,-0.3 3,-2.4 -2,-0.2 2,-0.6 -0.984 33.7-105.2-125.8 132.6 6.8 -11.0 -6.2 21 25 A I T 3 S+ 0 0 94 -20,-1.4 72,-0.1 -2,-0.4 73,-0.0 -0.374 115.0 25.4 -56.8 103.6 9.9 -8.8 -5.8 22 26 A G T 3 S+ 0 0 48 -2,-0.6 -1,-0.3 2,-0.1 71,-0.1 0.497 87.2 171.2 114.6 13.3 9.4 -6.3 -8.6 23 27 A D < - 0 0 22 -3,-2.4 2,-0.1 1,-0.1 3,-0.1 0.113 29.5-114.6 -45.6 168.9 5.6 -6.7 -8.9 24 28 A S > - 0 0 77 1,-0.2 3,-0.7 67,-0.2 66,-0.2 -0.175 41.8 -64.7 -97.1-167.5 3.8 -4.3 -11.2 25 29 A L T 3 S+ 0 0 91 1,-0.2 -1,-0.2 63,-0.1 64,-0.1 -0.387 116.7 13.9 -79.2 159.7 1.3 -1.5 -10.5 26 30 A L T 3 S+ 0 0 49 1,-0.1 -1,-0.2 -2,-0.1 2,-0.1 0.860 106.3 124.9 40.6 44.9 -2.2 -2.3 -9.2 27 31 A D X + 0 0 52 -3,-0.7 2,-1.5 3,-0.1 3,-0.5 -0.341 38.5 44.0-114.4-164.1 -0.8 -5.7 -8.4 28 32 A V T 3> S+ 0 0 12 1,-0.3 4,-1.3 -2,-0.1 5,-0.3 -0.498 115.2 45.7 67.6 -92.6 -0.5 -7.8 -5.3 29 33 A V H >>>S+ 0 0 13 -2,-1.5 4,-2.8 1,-0.2 3,-2.7 0.933 122.5 35.5 -41.2 -74.1 -4.0 -7.3 -3.9 30 34 A V H <45S+ 0 0 70 -3,-0.5 -1,-0.2 1,-0.3 -3,-0.1 0.885 105.1 73.6 -48.7 -43.8 -5.8 -7.8 -7.2 31 35 A Q H 345S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.794 119.4 17.4 -40.2 -34.2 -3.1 -10.4 -8.0 32 36 A N H <<5S- 0 0 100 -3,-2.7 -1,-0.3 -4,-1.3 -2,-0.3 0.554 108.7-119.9-112.8 -19.5 -5.1 -12.5 -5.5 33 37 A N T <5 - 0 0 126 -4,-2.8 -3,-0.3 -5,-0.3 -4,-0.1 0.720 41.5-166.7 83.0 24.4 -8.2 -10.4 -5.5 34 38 A L < - 0 0 15 -5,-1.8 -1,-0.1 -6,-0.3 5,-0.1 0.059 38.5 -95.0 -40.0 154.0 -7.9 -9.6 -1.8 35 39 A D + 0 0 72 -28,-0.1 3,-0.4 2,-0.1 4,-0.1 0.899 61.3 163.1 -38.3 -59.7 -11.0 -8.2 -0.2 36 40 A I > - 0 0 19 1,-0.2 3,-2.1 2,-0.1 2,-1.4 0.872 41.2-136.1 32.3 69.3 -9.6 -4.7 -0.8 37 41 A D T 3 S+ 0 0 104 1,-0.3 -1,-0.2 2,-0.1 68,-0.1 -0.331 92.7 23.6 -55.6 89.9 -12.9 -3.1 -0.2 38 42 A G T 3 S- 0 0 25 -2,-1.4 -1,-0.3 -3,-0.4 -2,-0.1 -0.136 88.2-146.9 144.2 -40.0 -12.7 -0.7 -3.2 39 43 A F S < S- 0 0 143 -3,-2.1 12,-0.1 -4,-0.1 -2,-0.1 0.900 77.8 -21.1 40.2 94.0 -10.1 -2.3 -5.5 40 44 A G S S- 0 0 10 10,-0.5 11,-0.1 3,-0.1 2,-0.1 0.926 72.1-154.6 40.8 82.2 -8.3 0.6 -7.0 41 45 A A S > S+ 0 0 44 9,-0.5 3,-0.6 2,-0.1 7,-0.1 -0.167 96.8 28.5 -65.8-167.1 -10.9 3.3 -6.4 42 46 A C T 3 S- 0 0 39 1,-0.3 3,-0.1 5,-0.1 8,-0.1 0.115 112.3-115.5 -3.6 172.6 -9.6 5.3 -9.4 43 47 A E T 3 - 0 0 164 1,-0.4 -1,-0.3 3,-0.1 2,-0.2 -0.541 66.7 -77.0 -57.4 15.5 -8.4 2.2 -11.2 44 48 A G S < S+ 0 0 6 -3,-0.6 -1,-0.4 1,-0.1 45,-0.1 -0.490 95.8 114.1 92.9-164.8 -4.9 3.7 -10.7 45 49 A T S S- 0 0 129 43,-0.4 -1,-0.1 -2,-0.2 -3,-0.1 0.523 102.2 -75.4 73.6 5.2 -3.3 6.5 -12.6 46 50 A L S S+ 0 0 28 42,-0.1 3,-0.1 41,-0.0 -3,-0.1 0.663 95.9 111.8 73.9 124.5 -3.5 8.4 -9.4 47 51 A A S S+ 0 0 63 1,-0.7 2,-0.2 -5,-0.1 -5,-0.1 0.068 71.4 49.7 170.5 -32.9 -6.8 9.9 -8.2 48 52 A C - 0 0 22 -7,-0.1 -1,-0.7 29,-0.0 3,-0.1 -0.432 65.1-138.4-113.5-171.4 -7.7 7.9 -5.1 49 53 A S S S+ 0 0 33 -2,-0.2 2,-0.7 -3,-0.1 4,-0.5 0.207 79.0 93.3-134.1 8.3 -5.8 6.9 -1.9 50 54 A T + 0 0 15 1,-0.1 -9,-0.5 2,-0.1 -10,-0.5 -0.522 67.4 77.5-104.3 62.5 -7.0 3.4 -1.6 51 55 A C S S+ 0 0 18 -2,-0.7 -22,-0.1 -11,-0.1 -1,-0.1 0.553 105.1 15.1-127.8 -68.9 -4.1 1.7 -3.4 52 56 A H S S- 0 0 26 -3,-0.0 34,-0.1 3,-0.0 -2,-0.1 0.919 89.3-178.5 -78.2 -47.9 -1.0 1.4 -1.3 53 57 A L - 0 0 4 -4,-0.5 32,-0.8 48,-0.1 50,-0.2 0.002 48.9 -10.5 70.2 177.3 -2.8 2.2 2.0 54 58 A I B S-C 102 0B 16 48,-3.2 48,-0.7 30,-0.2 2,-0.5 -0.145 71.1-161.0 -45.7 132.5 -1.0 2.4 5.3 55 59 A F > - 0 0 8 46,-0.2 5,-0.6 44,-0.0 4,-0.3 -0.979 36.2 -87.1-128.3 120.2 2.5 1.1 4.9 56 60 A E T >>5 - 0 0 64 -2,-0.5 3,-4.6 44,-0.3 4,-1.4 0.154 36.4-135.0 -23.2 108.7 4.7 -0.0 7.8 57 61 A Q H 3>5S+ 0 0 102 1,-0.3 4,-0.9 2,-0.2 5,-0.4 0.748 106.2 71.7 -45.2 -25.6 6.3 3.3 8.9 58 62 A H H 345S+ 0 0 115 1,-0.2 -1,-0.3 3,-0.2 -2,-0.1 0.505 108.7 33.6 -70.3 -3.0 9.4 1.2 9.0 59 63 A I H <45S+ 0 0 21 -3,-4.6 -2,-0.2 -4,-0.3 -1,-0.2 0.711 127.8 33.6-115.5 -49.3 9.1 1.2 5.2 60 64 A F H < - 0 0 96 -2,-0.2 4,-2.8 0, 0.0 5,-0.2 -0.921 67.6 -69.4-153.3 175.0 6.2 17.3 -1.0 68 72 A D H > S+ 0 0 117 -2,-0.3 4,-1.3 1,-0.3 6,-0.0 0.784 136.2 50.6 -39.4 -31.6 3.3 18.7 -2.9 69 73 A E H 4 S+ 0 0 177 2,-0.2 -1,-0.3 1,-0.1 0, 0.0 0.953 115.0 38.4 -73.3 -53.2 5.2 17.4 -5.8 70 74 A E H 4 S+ 0 0 134 -3,-0.2 3,-0.3 1,-0.1 -2,-0.2 0.967 115.4 53.5 -61.5 -56.2 5.8 13.9 -4.4 71 75 A N H >< + 0 0 24 -4,-2.8 2,-2.6 1,-0.2 3,-0.9 0.934 66.8 158.0 -41.4 -72.3 2.4 13.6 -2.8 72 76 A D T 3< S+ 0 0 98 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.1 -0.404 84.1 13.6 78.1 -63.8 0.5 14.4 -6.0 73 77 A M T 3 S+ 0 0 79 -2,-2.6 3,-0.4 -3,-0.3 -1,-0.3 0.740 122.5 64.4-108.6 -40.0 -2.6 12.7 -4.7 74 78 A L < + 0 0 12 -3,-0.9 2,-3.1 1,-0.2 4,-0.1 0.920 50.8 130.6 -47.8 -96.5 -1.8 12.2 -1.0 75 79 A D S S- 0 0 93 1,-0.2 -1,-0.2 2,-0.1 -4,-0.1 -0.372 100.7 -6.5 74.1 -64.0 -1.5 15.8 0.3 76 80 A L S S- 0 0 137 -2,-3.1 2,-0.7 -3,-0.4 -1,-0.2 -0.135 77.2-173.3-155.2 43.2 -3.8 14.9 3.2 77 81 A A > - 0 0 12 1,-0.2 3,-5.0 2,-0.1 -2,-0.1 -0.227 44.5-108.9 -47.6 93.9 -5.0 11.4 2.4 78 82 A Y T 3 S+ 0 0 216 -2,-0.7 -1,-0.2 1,-0.3 3,-0.1 0.013 110.0 23.0 -32.1 99.2 -7.5 11.2 5.3 79 83 A G T 3 S+ 0 0 41 1,-0.4 -1,-0.3 -3,-0.1 5,-0.2 -0.030 87.6 136.3 125.6 -27.5 -5.7 8.8 7.5 80 84 A L < + 0 0 47 -3,-5.0 -1,-0.4 1,-0.1 5,-0.0 -0.221 16.0 148.3 -53.0 137.7 -2.2 9.3 6.2 81 85 A T S S- 0 0 64 -3,-0.1 -1,-0.1 3,-0.0 -4,-0.0 0.358 70.5 -51.0-133.3 -88.6 0.4 9.6 9.0 82 86 A D S S+ 0 0 108 -27,-0.1 -21,-0.7 3,-0.0 -22,-0.1 0.053 129.0 47.2-151.9 24.1 3.9 8.4 8.6 83 87 A R S S+ 0 0 85 -23,-0.2 -23,-0.2 -22,-0.1 -3,-0.1 0.542 88.2 84.2-133.7 -43.5 3.5 4.9 7.2 84 88 A S + 0 0 7 -30,-0.3 -30,-0.2 -5,-0.2 2,-0.2 -0.198 48.2 170.6 -64.6 159.3 0.9 5.2 4.4 85 89 A R - 0 0 54 -32,-0.8 2,-0.1 -36,-0.1 -36,-0.0 -0.601 31.4-127.1-176.3 108.9 2.0 6.1 0.9 86 90 A L + 0 0 13 -2,-0.2 -12,-0.1 1,-0.1 -13,-0.1 -0.379 43.6 148.6 -62.2 133.4 0.0 6.1 -2.3 87 91 A G + 0 0 0 -2,-0.1 -1,-0.1 3,-0.1 -62,-0.1 0.498 15.9 157.4-127.4 -82.3 1.9 4.1 -5.0 88 92 A C S S+ 0 0 7 1,-0.1 -43,-0.4 2,-0.1 -63,-0.1 0.743 85.5 59.2 52.4 22.4 -0.1 2.2 -7.6 89 93 A Q S S+ 0 0 106 -65,-0.1 2,-0.4 -64,-0.1 -1,-0.1 0.091 83.5 95.3-165.7 28.0 3.1 2.7 -9.6 90 94 A I - 0 0 52 -66,-0.2 2,-0.2 3,-0.0 -2,-0.1 -0.974 65.3-126.7-130.7 143.8 5.8 1.0 -7.5 91 95 A C - 0 0 69 -2,-0.4 -67,-0.2 1,-0.2 -70,-0.1 -0.539 40.9 -88.4 -86.4 154.2 7.2 -2.5 -7.6 92 96 A L - 0 0 13 -72,-0.5 2,-0.3 -2,-0.2 -1,-0.2 0.106 47.7-160.7 -50.6 173.5 7.2 -4.8 -4.6 93 97 A T - 0 0 60 -72,-0.1 -1,-0.1 -3,-0.1 -70,-0.0 -0.940 34.1-109.6-153.5 171.4 10.2 -4.7 -2.3 94 98 A K S > S+ 0 0 136 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.729 116.6 60.3 -77.8 -23.6 12.1 -6.6 0.4 95 99 A A T 3 S+ 0 0 40 1,-0.2 -1,-0.2 -36,-0.1 -37,-0.1 0.886 100.5 52.9 -69.6 -40.6 10.9 -4.1 2.9 96 100 A M T > S+ 0 0 7 3,-0.1 3,-1.9 -37,-0.1 2,-1.2 0.464 78.3 127.0 -73.5 -1.0 7.3 -4.9 2.2 97 101 A D T < S- 0 0 59 -3,-0.7 -92,-0.2 1,-0.3 -3,-0.1 -0.440 91.9 -3.5 -62.4 95.8 8.2 -8.5 2.8 98 102 A N T 3 S+ 0 0 79 -94,-4.5 -1,-0.3 -2,-1.2 2,-0.3 0.881 98.7 162.8 84.7 44.5 5.6 -9.3 5.4 99 103 A M E < -b 5 0A 0 -3,-1.9 -93,-4.8 -95,-0.8 2,-0.7 -0.704 36.5-133.0 -98.3 149.3 4.1 -5.8 5.6 100 104 A T E -b 6 0A 47 -2,-0.3 2,-0.4 -95,-0.2 -44,-0.3 -0.893 20.7-163.4-105.9 109.3 0.7 -5.0 7.0 101 105 A V E -b 7 0A 5 -95,-4.2 -93,-3.6 -2,-0.7 2,-0.4 -0.747 5.8-171.8 -93.5 137.1 -1.4 -2.7 4.7 102 106 A R B -C 54 0B 111 -48,-0.7 -48,-3.2 -2,-0.4 -93,-0.1 -0.993 20.1-129.2-133.7 126.3 -4.3 -0.9 6.2 103 107 A V - 0 0 33 -95,-0.4 -53,-0.1 -2,-0.4 -24,-0.0 -0.465 11.7-137.3 -72.7 142.5 -6.9 1.2 4.2 104 108 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 -54,-0.1 0.560 47.4-115.6 -75.0 -8.6 -7.6 4.7 5.5 105 109 A D 0 0 116 1,-0.1 -55,-0.0 -68,-0.1 -3,-0.0 0.909 360.0 360.0 70.9 98.1 -11.3 4.0 4.9 106 110 A A 0 0 110 -56,-0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.816 360.0 360.0-132.8 360.0 -12.6 6.2 2.2