==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-OCT-09 3KHP . COMPND 2 MOLECULE: MAOC FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS H37RV; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIONS DISEASE . 1102 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 745 67.6 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 . 308 27.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 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 . 90 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 8 4 4 0 0 0 4 0 0 0 0 4 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 . 5 0 0 0 12 11 5 0 4 4 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 0 0 0 0 0 0 0 0 4 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 -2 A P 0 0 186 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.4 -11.2 74.1 42.4 2 -1 A G + 0 0 69 2,-0.1 2,-0.3 0, 0.0 0, 0.0 0.117 360.0 112.7 -93.8 19.8 -11.5 75.8 39.0 3 0 A S - 0 0 96 1,-0.0 2,-0.4 147,-0.0 144,-0.1 -0.704 66.6-125.6 -97.8 144.4 -7.7 76.0 38.4 4 1 A M - 0 0 64 -2,-0.3 2,-0.5 144,-0.1 -2,-0.1 -0.735 25.2-122.3 -86.5 133.6 -5.8 74.0 35.8 5 2 A A + 0 0 74 -2,-0.4 70,-0.5 2,-0.0 2,-0.4 -0.684 39.4 171.0 -78.9 120.6 -3.0 71.9 37.2 6 3 A I B -A 74 0A 12 -2,-0.5 68,-0.2 68,-0.1 67,-0.1 -0.985 29.0-137.0-135.2 115.0 0.3 73.1 35.4 7 4 A D > - 0 0 69 66,-3.2 3,-1.6 -2,-0.4 4,-0.2 -0.621 14.0-171.1 -79.7 107.7 3.7 71.8 36.6 8 5 A P T 3 S+ 0 0 44 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.624 85.8 60.8 -75.7 -6.6 6.1 74.7 36.7 9 6 A N T 3 S+ 0 0 76 1,-0.2 -2,-0.1 64,-0.1 64,-0.0 0.335 85.2 80.8 -93.6 5.1 8.9 72.2 37.3 10 7 A S X + 0 0 2 -3,-1.6 3,-3.0 63,-0.1 96,-0.3 0.483 51.7 125.1 -97.5 -5.9 8.3 70.3 34.0 11 8 A I T 3 S+ 0 0 51 -3,-0.3 96,-0.2 1,-0.3 3,-0.1 -0.373 81.2 24.8 -54.6 126.4 10.1 72.6 31.6 12 9 A G T 3 S+ 0 0 6 94,-2.4 -1,-0.3 1,-0.3 95,-0.1 0.193 87.7 140.4 99.6 -15.3 12.6 70.4 29.8 13 10 A A < - 0 0 7 -3,-3.0 93,-2.1 93,-0.1 -1,-0.3 -0.303 33.6-164.6 -61.0 147.4 10.6 67.2 30.4 14 11 A V B -B 105 0B 23 91,-0.2 91,-0.2 -3,-0.1 2,-0.2 -0.962 16.5-128.0-143.1 152.4 10.6 64.9 27.3 15 12 A T - 0 0 33 89,-1.7 3,-0.1 -2,-0.3 89,-0.1 -0.541 34.7-101.4 -95.6 161.0 8.8 61.9 25.9 16 13 A E - 0 0 104 -2,-0.2 88,-0.2 1,-0.2 -1,-0.1 -0.429 57.1 -75.7 -74.3 156.2 10.4 58.7 24.7 17 14 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 86,-0.2 -0.278 49.7-164.5 -52.4 133.7 10.8 58.2 20.9 18 15 A M E -C 102 0B 115 84,-2.5 84,-3.1 -3,-0.1 2,-0.5 -0.999 15.7-131.0-121.9 129.5 7.6 57.4 19.2 19 16 A L E -C 101 0B 100 -2,-0.4 2,-0.5 82,-0.2 82,-0.2 -0.658 18.5-167.0 -77.0 119.7 7.6 56.0 15.7 20 17 A F E -C 100 0B 56 80,-3.2 80,-2.6 -2,-0.5 2,-0.3 -0.978 12.3-178.9-107.0 121.8 5.2 57.8 13.3 21 18 A E E +C 99 0B 122 -2,-0.5 2,-0.3 78,-0.3 78,-0.2 -0.931 4.9 170.2-121.1 146.7 4.7 55.8 10.0 22 19 A W E -C 98 0B 11 76,-2.5 76,-2.0 -2,-0.3 2,-0.2 -0.968 19.1-146.7-151.8 156.2 2.6 56.7 7.0 23 20 A T >> - 0 0 77 -2,-0.3 4,-1.2 74,-0.2 3,-1.0 -0.625 45.5 -89.2-114.8 179.6 2.0 55.5 3.4 24 21 A D H 3> S+ 0 0 43 1,-0.3 4,-2.7 -2,-0.2 5,-0.3 0.804 123.1 65.9 -64.9 -28.2 1.1 57.5 0.3 25 22 A R H 3> S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.887 101.0 50.4 -57.1 -38.9 -2.6 57.2 1.1 26 23 A D H <> S+ 0 0 23 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.876 112.5 43.6 -66.9 -41.2 -2.0 59.2 4.2 27 24 A T H X S+ 0 0 4 -4,-1.2 4,-2.2 69,-0.5 29,-0.2 0.869 116.1 48.6 -80.2 -33.2 -0.2 62.1 2.5 28 25 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.951 112.1 49.0 -62.7 -50.9 -2.7 62.1 -0.3 29 26 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.846 111.0 50.8 -58.5 -36.3 -5.6 62.1 2.1 30 27 A Y H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.932 107.4 53.2 -67.1 -50.5 -4.0 65.0 4.1 31 28 A A H <>S+ 0 0 2 -4,-2.2 5,-2.5 12,-0.3 3,-0.4 0.925 112.3 43.3 -49.9 -51.1 -3.5 67.0 0.9 32 29 A I H ><5S+ 0 0 3 -4,-2.3 3,-2.1 1,-0.2 -1,-0.2 0.919 108.9 62.4 -64.0 -37.1 -7.3 66.6 -0.0 33 30 A G H 3<5S+ 0 0 0 -4,-2.3 151,-0.3 1,-0.3 -1,-0.2 0.837 105.5 43.9 -51.7 -40.5 -7.9 67.3 3.7 34 31 A V T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -3,-0.4 -2,-0.2 0.160 131.7 -93.7-100.2 20.5 -6.4 70.8 3.3 35 32 A G T < 5S+ 0 0 26 -3,-2.1 -3,-0.2 1,-0.3 2,-0.2 0.500 70.3 151.2 95.3 5.0 -8.2 71.3 0.1 36 33 A A < + 0 0 1 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.1 -0.523 21.9 159.0 -65.2 138.8 -5.8 70.2 -2.7 37 34 A G > - 0 0 16 -2,-0.2 3,-1.4 697,-0.0 7,-0.3 -0.326 55.8 -39.8-136.1-148.1 -7.8 68.9 -5.7 38 35 A T T 3 S+ 0 0 79 1,-0.2 3,-0.4 -2,-0.1 -2,-0.1 0.621 121.6 70.6 -64.5 -10.6 -7.6 68.3 -9.5 39 36 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 2,-0.1 2,-0.1 0.648 104.2 35.4 -86.9 -13.9 -5.6 71.5 -9.9 40 37 A D X> + 0 0 37 -3,-1.4 3,-2.3 1,-0.1 4,-1.0 -0.512 63.4 171.0-143.7 77.1 -2.4 70.2 -8.2 41 38 A L H 3> S+ 0 0 25 -3,-0.4 4,-1.5 1,-0.3 7,-0.2 0.579 71.1 73.5 -68.7 -17.2 -1.9 66.6 -9.0 42 39 A A H 34 S+ 0 0 17 1,-0.2 12,-2.5 2,-0.2 -1,-0.3 0.780 107.9 35.5 -62.3 -28.7 1.5 66.5 -7.5 43 40 A F H <4 S+ 0 0 13 -3,-2.3 -12,-0.3 10,-0.2 -2,-0.2 0.736 124.4 40.5 -98.0 -24.4 -0.2 66.7 -4.1 44 41 A T H < S+ 0 0 1 -4,-1.0 2,-0.3 -7,-0.3 -2,-0.2 0.411 113.7 46.1-108.6 1.1 -3.3 64.6 -4.8 45 42 A T < - 0 0 0 -4,-1.5 9,-0.2 -5,-0.2 -1,-0.1 -0.998 45.3-171.2-143.7 151.0 -1.9 61.8 -7.0 46 43 A E S S+ 0 0 43 -2,-0.3 7,-0.4 7,-0.1 -1,-0.1 0.535 88.0 42.1-108.9 -16.5 1.1 59.4 -7.0 47 44 A N S S+ 0 0 55 695,-0.1 2,-0.2 5,-0.1 701,-0.1 -0.000 75.2 131.6-128.3 26.1 0.9 57.8 -10.4 48 45 A S S > S- 0 0 8 3,-0.4 3,-1.5 -7,-0.2 2,-0.2 -0.542 70.5 -88.1 -84.7 149.5 0.1 60.6 -12.8 49 46 A H T 3 S- 0 0 102 1,-0.3 -1,-0.1 -2,-0.2 701,-0.1 -0.373 106.1 -4.3 -66.3 121.5 2.1 61.0 -16.0 50 47 A G T 3 S+ 0 0 77 -2,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.746 108.2 106.1 73.0 25.5 5.3 63.1 -15.4 51 48 A I < - 0 0 59 -3,-1.5 -3,-0.4 -10,-0.1 2,-0.4 -0.931 52.8-157.0-145.2 110.8 4.5 64.1 -11.8 52 49 A D - 0 0 143 -2,-0.4 -5,-0.1 -5,-0.1 2,-0.1 -0.728 38.5-101.4 -79.7 138.3 6.2 62.7 -8.7 53 50 A Q - 0 0 33 -7,-0.4 2,-0.3 -2,-0.4 43,-0.2 -0.392 37.3-162.0 -59.4 131.7 4.1 63.0 -5.6 54 51 A Q - 0 0 54 -12,-2.5 2,-0.4 -9,-0.2 -9,-0.1 -0.882 10.2-137.1-106.6 153.6 5.1 65.9 -3.3 55 52 A V - 0 0 12 39,-0.4 39,-0.3 -2,-0.3 -27,-0.1 -0.901 23.1-114.2-111.4 130.8 4.1 66.1 0.4 56 53 A L > - 0 0 5 -2,-0.4 3,-1.7 -29,-0.2 4,-0.1 -0.388 20.2-133.3 -64.8 141.7 2.9 69.4 1.9 57 54 A P G > S+ 0 0 8 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 0.850 103.5 69.2 -71.3 -25.0 5.3 70.6 4.5 58 55 A T G > S+ 0 0 1 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.627 74.9 87.0 -65.0 -10.0 2.5 71.3 6.9 59 56 A Y G X> + 0 0 9 -3,-1.7 4,-1.9 1,-0.2 3,-1.8 0.703 66.8 84.1 -58.2 -16.4 2.2 67.5 7.0 60 57 A A H <> S+ 0 0 0 -3,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.834 78.5 65.1 -56.3 -28.2 4.8 67.9 9.8 61 58 A V H <4 S+ 0 0 6 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.764 108.9 37.9 -69.3 -18.1 2.0 68.6 12.2 62 59 A I H <4 S+ 0 0 41 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.2 0.853 125.6 33.3 -97.3 -42.6 0.7 65.0 11.7 63 60 A C H < S+ 0 0 2 -4,-1.9 -43,-0.2 1,-0.2 -2,-0.2 0.460 131.0 33.0 -91.7 -6.6 3.9 63.0 11.4 64 61 A C S < S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.3 2,-0.2 -0.215 79.2 171.2-140.5 51.5 5.9 65.1 13.9 65 62 A P - 0 0 21 0, 0.0 3,-0.5 0, 0.0 60,-0.2 -0.436 29.1-154.4 -72.9 132.8 3.4 66.4 16.5 66 63 A A S > S+ 0 0 0 1,-0.2 3,-1.3 -2,-0.2 4,-0.2 0.464 71.0 104.2 -75.5 1.0 4.8 68.1 19.6 67 64 A F G > + 0 0 49 1,-0.3 3,-2.3 2,-0.2 4,-0.4 0.803 58.1 69.0 -60.8 -43.0 1.6 67.1 21.4 68 65 A G G > S+ 0 0 40 -3,-0.5 3,-0.9 1,-0.3 -1,-0.3 0.747 89.0 67.5 -46.2 -30.8 2.9 64.2 23.5 69 66 A A G X S+ 0 0 0 -3,-1.3 3,-1.5 1,-0.2 4,-0.4 0.690 81.2 76.0 -69.2 -19.7 4.9 66.6 25.7 70 67 A A G X> S+ 0 0 2 -3,-2.3 3,-2.2 1,-0.3 4,-2.1 0.863 82.4 67.1 -60.5 -36.2 1.7 68.2 27.2 71 68 A A G <4 S+ 0 0 83 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.688 94.1 59.8 -59.2 -21.5 1.1 65.3 29.4 72 69 A K G <4 S+ 0 0 104 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.695 111.4 39.0 -73.5 -21.7 4.3 66.3 31.3 73 70 A V T <4 S- 0 0 5 -3,-2.2 -66,-3.2 -4,-0.4 2,-0.3 0.851 127.7 -56.6-100.1 -47.5 2.8 69.7 32.2 74 71 A G B < -A 6 0A 13 -4,-2.1 -1,-0.4 -68,-0.2 -68,-0.1 -0.893 55.2 -79.5-172.2-157.1 -0.7 68.8 33.0 75 72 A T S S+ 0 0 138 -70,-0.5 -4,-0.1 -2,-0.3 -69,-0.1 0.296 75.7 123.9-113.2 7.0 -3.9 67.2 31.6 76 73 A F S S- 0 0 20 -71,-0.3 -2,-0.1 -6,-0.2 -3,-0.1 -0.157 77.1 -82.2 -61.3 163.0 -5.2 70.1 29.4 77 74 A N > - 0 0 77 1,-0.1 3,-1.1 2,-0.0 -1,-0.1 -0.560 33.3-156.2 -71.5 116.2 -5.9 69.4 25.7 78 75 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 0.680 89.2 54.0 -67.4 -12.7 -2.6 69.8 23.7 79 76 A A T 3 + 0 0 30 63,-0.0 2,-1.6 1,-0.0 -2,-0.0 0.377 68.0 112.1-105.7 1.0 -4.5 70.6 20.5 80 77 A A < + 0 0 59 -3,-1.1 63,-0.4 1,-0.2 4,-0.1 -0.565 41.2 171.5 -75.3 89.7 -6.7 73.5 21.5 81 78 A L > + 0 0 13 -2,-1.6 3,-2.1 61,-0.1 162,-0.4 0.527 22.6 129.6 -88.2 -7.4 -4.9 76.1 19.3 82 79 A L T 3 S+ 0 0 74 1,-0.3 61,-0.4 160,-0.1 162,-0.2 -0.235 88.6 3.1 -55.7 130.1 -7.1 79.2 19.6 83 80 A H T 3 S+ 0 0 107 160,-2.9 -1,-0.3 1,-0.3 161,-0.1 0.217 121.1 101.2 71.6 -12.1 -5.0 82.3 20.5 84 81 A G < - 0 0 0 -3,-2.1 159,-2.6 59,-0.1 2,-0.3 -0.070 66.7-126.9 -86.5-170.6 -2.1 79.8 20.3 85 82 A S E -DE 141 242B 31 56,-1.9 56,-2.7 157,-0.3 2,-0.4 -0.953 8.5-154.1-140.5 156.1 0.5 79.3 17.5 86 83 A Q E +DE 140 241B 4 155,-2.3 155,-1.8 -2,-0.3 2,-0.3 -0.999 13.3 179.6-133.5 133.6 2.0 76.6 15.4 87 84 A G E -DE 139 240B 13 52,-2.6 52,-2.7 -2,-0.4 2,-0.3 -0.940 3.4-173.9-127.4 148.1 5.4 76.5 13.7 88 85 A I E -DE 138 239B 7 151,-1.8 151,-1.5 -2,-0.3 2,-0.4 -0.980 3.7-168.6-133.8 152.1 7.0 73.9 11.6 89 86 A R E -DE 137 238B 79 48,-2.5 48,-2.6 -2,-0.3 2,-0.4 -0.977 8.2-158.3-139.6 130.8 10.6 73.7 10.2 90 87 A L E +D 136 0B 17 147,-3.3 46,-0.2 -2,-0.4 45,-0.1 -0.861 18.1 178.7-111.6 143.9 11.7 71.2 7.6 91 88 A H S S+ 0 0 64 44,-3.0 45,-0.2 -2,-0.4 -1,-0.1 0.438 78.5 11.9-117.3 -10.6 15.3 70.0 6.9 92 89 A A S S- 0 0 42 43,-0.9 -1,-0.3 145,-0.1 2,-0.1 -0.954 94.3 -82.3-152.4 164.8 14.4 67.6 4.1 93 90 A P - 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