==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JUN-08 3DKQ . COMPND 2 MOLECULE: PKHD-TYPE HYDROXYLASE SBAL_3634; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA BALTICA OS155; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 658 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29296.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 477 72.5 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 . 190 28.9 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 . 7 1.1 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 . 42 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 0 0 0 3 0 0 0 0 3 0 0 3 0 0 3 3 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 . 4 8 10 6 4 3 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 1 2 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 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 N 0 0 120 0, 0.0 2,-0.3 0, 0.0 197,-0.0 0.000 360.0 360.0 360.0 105.2 76.0 124.2 -17.5 2 -4 A L - 0 0 35 7,-0.0 2,-0.3 9,-0.0 9,-0.1 -0.750 360.0-169.9 -98.5 144.6 76.4 120.4 -16.8 3 -3 A Y - 0 0 76 -2,-0.3 7,-0.5 7,-0.1 571,-0.1 -0.934 26.5-101.9-131.7 150.8 76.2 117.6 -19.5 4 -2 A F - 0 0 27 -2,-0.3 2,-0.6 570,-0.2 5,-0.2 -0.356 16.9-145.8 -69.9 148.8 76.0 113.8 -19.4 5 -1 A Q B > S-A 8 0A 64 3,-3.3 3,-1.8 -2,-0.1 2,-0.5 -0.901 73.3 -60.0-112.4 87.5 79.1 111.7 -20.1 6 0 A G T 3 S- 0 0 17 569,-2.0 137,-0.1 -2,-0.6 -2,-0.1 -0.569 121.8 -14.6 70.3-115.8 77.3 108.9 -21.9 7 1 A X T 3 S+ 0 0 27 -2,-0.5 -1,-0.3 -3,-0.1 2,-0.3 0.451 127.0 70.6-101.0 2.1 74.9 107.6 -19.3 8 2 A L B < -A 5 0A 4 -3,-1.8 -3,-3.3 149,-0.1 2,-0.4 -0.743 59.9-153.5-119.1 159.3 76.4 109.3 -16.2 9 3 A I E -B 156 0B 0 147,-2.3 147,-2.8 -2,-0.3 2,-0.5 -0.999 7.5-145.6-134.8 139.7 76.6 112.9 -14.9 10 4 A E E -B 155 0B 58 -7,-0.5 145,-0.2 -2,-0.4 -7,-0.1 -0.895 7.0-165.2-102.2 129.5 79.2 114.6 -12.6 11 5 A I E -B 154 0B 0 143,-3.2 143,-2.4 -2,-0.5 3,-0.5 -0.947 21.7-153.1-112.9 100.7 77.9 117.3 -10.2 12 6 A P + 0 0 52 0, 0.0 141,-0.1 0, 0.0 140,-0.1 -0.352 62.2 11.2 -78.8 159.1 81.0 119.1 -9.0 13 7 A N + 0 0 119 138,-0.2 140,-0.2 1,-0.1 3,-0.1 0.819 64.5 154.8 50.1 44.7 81.6 121.0 -5.8 14 8 A V S S+ 0 0 4 138,-2.0 2,-0.3 -3,-0.5 139,-0.2 0.877 80.3 19.8 -65.4 -39.6 78.4 119.8 -4.1 15 9 A F S S- 0 0 7 137,-1.3 -1,-0.2 136,-0.0 -2,-0.1 -0.967 94.6-115.9-123.8 143.8 80.3 120.5 -0.8 16 10 A S > - 0 0 56 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.240 31.4-104.7 -68.6 167.6 83.3 122.8 -0.5 17 11 A K H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.879 123.6 52.4 -61.0 -37.4 86.7 121.4 0.4 18 12 A Q H > S+ 0 0 164 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.873 110.5 47.1 -68.7 -40.4 86.3 122.9 3.9 19 13 A E H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.883 110.2 52.2 -68.2 -40.7 82.9 121.2 4.3 20 14 A V H X S+ 0 0 9 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.916 109.3 51.5 -60.1 -41.8 84.3 117.8 3.1 21 15 A S H X S+ 0 0 78 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.895 111.2 46.3 -61.5 -42.4 87.1 118.2 5.7 22 16 A H H X S+ 0 0 104 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.872 112.4 51.2 -67.6 -41.0 84.5 118.9 8.5 23 17 A L H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.926 111.7 47.5 -60.2 -47.0 82.4 115.9 7.2 24 18 A R H X S+ 0 0 36 -4,-2.9 4,-3.4 2,-0.2 5,-0.3 0.892 106.7 56.5 -62.6 -40.7 85.5 113.7 7.3 25 19 A E H X S+ 0 0 134 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.925 114.2 40.1 -56.8 -43.2 86.4 114.9 10.8 26 20 A Q H < S+ 0 0 55 -4,-1.8 3,-0.4 2,-0.2 -2,-0.2 0.940 119.1 45.4 -71.6 -49.0 83.0 113.8 12.0 27 21 A L H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.907 107.5 57.1 -61.8 -44.6 82.9 110.5 10.0 28 22 A D H 3< S+ 0 0 73 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.770 99.3 60.1 -60.1 -29.9 86.5 109.4 10.9 29 23 A A T 3< S+ 0 0 85 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.391 93.1 89.0 -79.5 2.5 85.8 109.5 14.6 30 24 A R S < S- 0 0 84 -3,-1.8 2,-0.8 -4,-0.1 -3,-0.0 -0.394 92.1 -87.7 -95.3 174.7 83.0 106.8 14.2 31 25 A R - 0 0 184 -2,-0.1 22,-0.5 22,-0.0 2,-0.5 -0.762 37.8-155.9 -90.2 108.4 83.2 103.0 14.3 32 26 A W - 0 0 37 -2,-0.8 2,-0.5 -4,-0.2 20,-0.2 -0.751 10.7-150.6 -87.0 127.2 84.1 101.6 10.9 33 27 A I E -C 51 0B 59 18,-3.0 18,-1.4 -2,-0.5 2,-0.1 -0.896 13.9-122.5-111.0 121.2 82.9 97.9 10.5 34 28 A D E -C 50 0B 116 -2,-0.5 2,-0.4 16,-0.2 16,-0.2 -0.368 31.9-168.8 -60.9 130.1 84.6 95.4 8.2 35 29 A G E +C 49 0B 4 14,-3.2 14,-2.4 1,-0.1 -1,-0.0 -0.979 31.1 161.2-132.7 118.0 82.2 94.0 5.7 36 30 A N + 0 0 116 -2,-0.4 11,-0.4 12,-0.2 2,-0.4 0.155 59.4 97.9-109.1 14.4 82.8 91.0 3.4 37 31 A Q - 0 0 109 9,-0.1 2,-0.3 2,-0.0 9,-0.1 -0.876 66.3-135.8-117.1 131.4 78.9 90.6 2.8 38 32 A T + 0 0 46 -2,-0.4 2,-0.3 7,-0.2 -2,-0.1 -0.617 24.0 170.0 -88.4 141.1 76.8 91.9 -0.2 39 33 A S S S+ 0 0 89 -2,-0.3 3,-0.1 0, 0.0 -2,-0.0 -0.877 70.9 22.3-149.9 114.1 73.5 93.6 0.2 40 34 A G S S+ 0 0 7 1,-0.4 65,-3.1 -2,-0.3 2,-0.3 0.245 89.4 114.1 111.0 -11.5 71.8 95.3 -2.8 41 35 A A B -H 104 0C 12 63,-0.3 -1,-0.4 1,-0.1 63,-0.2 -0.749 65.8-133.9 -91.1 139.2 73.7 93.4 -5.6 42 36 A X S S+ 0 0 109 61,-3.4 2,-0.2 -2,-0.3 62,-0.1 0.846 86.7 25.3 -60.8 -43.1 71.5 91.1 -7.9 43 37 A A S S- 0 0 70 60,-0.2 60,-0.1 1,-0.1 -2,-0.1 -0.721 108.1 -69.0-115.9 169.2 73.9 88.0 -7.8 44 38 A T - 0 0 152 -2,-0.2 2,-0.3 58,-0.0 -1,-0.1 -0.376 60.4-166.9 -59.3 130.4 76.5 86.9 -5.2 45 39 A T - 0 0 25 -4,-0.1 2,-0.9 -2,-0.1 -7,-0.2 -0.964 28.2-119.5-131.1 142.8 79.5 89.4 -5.4 46 40 A R + 0 0 91 -2,-0.3 54,-2.9 55,-0.2 2,-0.3 -0.748 48.9 164.3 -82.7 107.1 83.0 89.5 -4.1 47 41 A K E +I 99 0D 11 -2,-0.9 2,-0.3 -11,-0.4 52,-0.2 -0.970 17.1 168.1-126.7 143.1 83.0 92.5 -1.7 48 42 A R E +I 98 0D 98 50,-2.5 50,-1.4 -2,-0.3 2,-0.2 -0.804 30.5 110.7-157.4 107.4 85.5 93.6 1.0 49 43 A N E -C 35 0B 1 -14,-2.4 -14,-3.2 -2,-0.3 2,-0.3 -0.887 57.3 -96.9-158.9-173.9 85.3 97.1 2.5 50 44 A Q E +CD 34 92B 22 42,-2.2 42,-2.6 -2,-0.2 2,-0.3 -0.916 36.6 175.4-117.9 148.3 84.5 99.1 5.6 51 45 A Q E -CD 33 91B 35 -18,-1.4 -18,-3.0 -2,-0.3 2,-0.4 -0.957 32.0-116.1-145.8 158.7 81.1 100.9 6.4 52 46 A L - 0 0 4 38,-1.8 38,-0.3 -2,-0.3 -20,-0.1 -0.786 51.0 -94.7 -89.7 145.6 79.4 102.9 9.1 53 47 A D > - 0 0 76 -22,-0.5 3,-1.9 -2,-0.4 6,-0.2 -0.342 30.2-123.2 -59.2 140.4 76.4 101.1 10.5 54 48 A K T 3 S+ 0 0 135 1,-0.3 -1,-0.1 5,-0.1 -2,-0.0 0.812 112.7 47.3 -55.5 -32.7 73.2 102.4 8.8 55 49 A D T 3 S+ 0 0 114 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.240 75.5 129.7 -95.4 11.5 71.8 103.4 12.2 56 50 A D <> - 0 0 20 -3,-1.9 4,-2.8 1,-0.2 5,-0.2 -0.546 59.6-137.6 -64.8 122.8 74.9 105.2 13.4 57 51 A P H > S+ 0 0 91 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.874 102.9 47.4 -52.7 -45.2 73.4 108.6 14.6 58 52 A V H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.893 113.0 49.6 -64.1 -40.3 76.3 110.7 13.0 59 53 A A H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 112.8 47.3 -63.6 -44.5 75.9 108.7 9.8 60 54 A V H X S+ 0 0 82 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.955 114.2 47.4 -59.5 -49.1 72.1 109.3 9.8 61 55 A A H X S+ 0 0 48 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.919 115.0 43.1 -60.8 -50.0 72.6 113.0 10.5 62 56 A L H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.816 109.8 58.8 -68.3 -30.5 75.3 113.6 7.8 63 57 A G H X S+ 0 0 2 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.912 107.5 47.2 -60.4 -40.7 73.2 111.5 5.4 64 58 A Q H X S+ 0 0 92 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.883 109.3 52.7 -68.1 -42.3 70.4 114.0 6.0 65 59 A Q H X S+ 0 0 86 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.869 110.7 49.0 -59.1 -39.3 72.8 116.9 5.4 66 60 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.963 113.2 45.1 -64.9 -52.4 73.9 115.3 2.1 67 61 A X H X S+ 0 0 21 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.927 113.5 51.4 -57.8 -46.3 70.3 114.8 0.9 68 62 A D H X S+ 0 0 85 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.898 112.3 46.4 -55.3 -45.0 69.4 118.4 2.1 69 63 A R H < S+ 0 0 83 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.902 112.3 49.7 -66.3 -44.1 72.3 119.8 0.1 70 64 A L H >< S+ 0 0 0 -4,-2.8 3,-1.6 1,-0.2 7,-0.3 0.903 108.7 52.7 -61.6 -40.1 71.5 117.7 -3.0 71 65 A L H 3< S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 108.0 51.7 -69.0 -26.2 67.9 118.9 -2.9 72 66 A A T 3< S+ 0 0 78 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.363 89.9 95.1 -84.6 1.4 69.1 122.5 -2.8 73 67 A H <> - 0 0 33 -3,-1.6 4,-2.7 1,-0.1 3,-0.4 -0.849 63.5-157.7-100.3 108.1 71.3 121.9 -5.9 74 68 A P H > S+ 0 0 101 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.826 90.7 47.7 -55.6 -38.0 69.4 123.0 -9.0 75 69 A Q H > S+ 0 0 48 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.831 112.1 49.1 -73.8 -35.9 71.4 120.8 -11.4 76 70 A F H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.4 0.936 113.1 48.0 -63.7 -48.2 71.1 117.7 -9.3 77 71 A V H X S+ 0 0 48 -4,-2.7 4,-2.2 -7,-0.3 -2,-0.2 0.903 113.8 47.3 -60.1 -41.9 67.4 118.3 -9.0 78 72 A S H < S+ 0 0 2 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.872 116.8 42.3 -66.2 -42.7 67.1 118.8 -12.8 79 73 A A H < S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.1 115,-0.2 0.930 129.1 25.8 -69.6 -48.4 69.2 115.7 -13.6 80 74 A A H < S- 0 0 0 -4,-2.8 104,-0.3 -5,-0.2 103,-0.3 0.712 78.0-154.8 -91.8 -26.8 67.7 113.3 -11.1 81 75 A L < - 0 0 4 -4,-2.2 102,-3.4 -5,-0.4 103,-0.3 0.943 31.8-145.1 44.5 56.4 64.1 114.8 -10.5 82 76 A P E + E 0 182B 19 0, 0.0 100,-0.2 0, 0.0 -1,-0.1 -0.260 39.3 165.6 -62.7 134.7 64.3 113.1 -7.0 83 77 A L E S- 0 0 67 98,-2.8 2,-0.3 1,-0.3 99,-0.2 0.698 72.5 -0.8-105.6 -52.2 61.2 111.6 -5.5 84 78 A Q E - E 0 181B 58 97,-1.9 97,-2.8 2,-0.0 -1,-0.3 -0.983 63.6-146.6-147.3 133.3 62.7 109.5 -2.7 85 79 A F E - E 0 180B 21 -2,-0.3 95,-0.3 95,-0.2 32,-0.0 -0.723 18.2-132.7 -95.5 148.2 66.2 108.7 -1.5 86 80 A Y E - E 0 179B 31 93,-2.9 93,-0.6 -2,-0.3 3,-0.1 -0.901 55.7-100.3 -85.2 122.7 67.6 105.5 -0.0 87 81 A P E - 0 0 53 0, 0.0 90,-0.1 0, 0.0 -23,-0.1 -0.163 47.4 -91.6 -52.4 135.0 69.4 107.2 2.9 88 82 A P E - 0 0 8 0, 0.0 2,-0.4 0, 0.0 90,-0.2 -0.182 37.2-154.9 -56.0 138.4 73.2 107.7 2.3 89 83 A L E - E 0 177B 24 88,-2.8 88,-3.2 -3,-0.1 2,-0.5 -0.914 11.3-135.2-111.4 141.9 75.6 104.9 3.5 90 84 A F E + E 0 176B 1 -2,-0.4 -38,-1.8 -38,-0.3 2,-0.3 -0.874 28.0 176.4-103.2 126.6 79.2 105.7 4.2 91 85 A N E -DE 51 175B 10 84,-2.3 84,-2.4 -2,-0.5 2,-0.3 -0.883 12.6-160.2-128.5 160.7 81.9 103.3 2.9 92 86 A R E -DE 50 174B 21 -42,-2.6 -42,-2.2 -2,-0.3 2,-0.4 -0.995 0.9-162.6-144.0 144.4 85.6 103.1 2.8 93 87 A Y E + E 0 173B 2 80,-2.0 80,-2.1 -2,-0.3 2,-0.3 -0.994 26.8 133.0-132.2 124.5 88.3 101.2 0.8 94 88 A Q > + 0 0 76 -2,-0.4 3,-1.4 78,-0.2 78,-0.1 -0.968 54.5 31.1-156.9 165.0 91.9 100.6 1.6 95 89 A G T 3 S- 0 0 70 76,-0.5 74,-0.2 -2,-0.3 -1,-0.1 0.881 135.9 -37.6 51.2 49.4 94.5 97.8 1.7 96 90 A G T 3 S+ 0 0 17 72,-3.0 -1,-0.3 1,-0.3 73,-0.2 0.368 94.5 153.5 86.4 -0.9 93.1 95.8 -1.2 97 91 A E < + 0 0 24 -3,-1.4 71,-1.8 71,-0.4 -1,-0.3 -0.347 16.5 158.9 -63.4 139.5 89.4 96.5 -0.4 98 92 A T E -I 48 0D 16 -50,-1.4 -50,-2.5 69,-0.2 2,-0.4 -0.950 41.2-135.0-156.8 163.2 87.2 96.3 -3.4 99 93 A F E -IJ 47 165D 25 66,-2.4 66,-2.8 -2,-0.3 -52,-0.2 -0.954 34.7-140.3-130.9 110.9 83.6 95.8 -4.6 100 94 A G E - 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