==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-SEP-11 2LJU . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EHRLICHIA CHAFFEENSIS; . AUTHOR F.YANG,R.BARNWAL,G.VARANI . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 8.7 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 . 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 . 10 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.9 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 0 0 0 0 0 0 1 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 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 249 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 35.8 2.1 -0.0 -1.2 2 2 A Q - 0 0 180 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.376 360.0-117.7-102.8-176.4 -0.9 -0.9 -3.4 3 3 A E - 0 0 171 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.989 16.8-131.1-130.1 135.0 -2.6 0.7 -6.4 4 4 A Q - 0 0 187 -2,-0.4 2,-0.4 2,-0.0 0, 0.0 -0.679 25.1-170.7 -85.9 132.7 -6.1 2.1 -6.7 5 5 A V - 0 0 100 -2,-0.4 2,-0.8 2,-0.1 -2,-0.0 -0.974 21.2-148.2-127.1 138.9 -8.1 1.0 -9.7 6 6 A S + 0 0 130 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.603 61.6 100.8-104.1 71.0 -11.5 2.2 -11.0 7 7 A N - 0 0 99 -2,-0.8 2,-0.1 70,-0.0 -2,-0.1 -0.984 63.0-119.1-149.8 157.3 -12.9 -0.9 -12.6 8 8 A V - 0 0 30 -2,-0.3 70,-0.6 27,-0.1 2,-0.3 -0.470 21.9-147.0 -94.3 168.0 -15.4 -3.7 -11.9 9 9 A R E -a 78 0A 160 -2,-0.1 26,-2.4 68,-0.1 2,-0.4 -0.976 8.5-130.4-137.3 150.3 -14.7 -7.4 -11.6 10 10 A A E -aB 79 34A 5 68,-2.3 70,-2.3 -2,-0.3 2,-0.7 -0.848 12.3-154.2-103.9 135.2 -16.7 -10.6 -12.4 11 11 A R E -aB 80 33A 100 22,-1.3 22,-1.6 -2,-0.4 2,-0.4 -0.894 15.7-177.9-112.0 104.8 -17.1 -13.4 -9.9 12 12 A I E -aB 81 32A 0 68,-2.7 70,-2.2 -2,-0.7 2,-0.4 -0.858 2.1-173.4-105.2 135.3 -17.8 -16.8 -11.6 13 13 A Y E -aB 82 31A 67 18,-2.2 18,-2.5 -2,-0.4 70,-0.2 -0.990 14.0-140.4-130.8 134.2 -18.3 -20.0 -9.6 14 14 A K - 0 0 62 68,-2.7 16,-0.1 -2,-0.4 -2,-0.0 -0.591 23.9-113.0 -91.3 153.0 -18.7 -23.6 -10.8 15 15 A P - 0 0 48 0, 0.0 69,-0.5 0, 0.0 2,-0.3 0.083 39.6 -84.6 -69.7-173.2 -21.2 -26.1 -9.4 16 16 A A - 0 0 65 68,-0.1 2,-0.4 67,-0.1 67,-0.0 -0.782 43.0-102.1-101.5 143.3 -20.3 -29.3 -7.5 17 17 A K + 0 0 207 -2,-0.3 2,-0.3 3,-0.0 -1,-0.0 -0.470 62.0 144.7 -64.8 115.7 -19.4 -32.6 -9.1 18 18 A S - 0 0 89 -2,-0.4 2,-0.3 0, 0.0 4,-0.1 -0.990 58.3 -79.7-152.6 155.4 -22.5 -34.9 -8.9 19 19 A T - 0 0 113 -2,-0.3 3,-0.3 2,-0.1 -2,-0.0 -0.399 52.3-137.2 -59.9 115.1 -24.3 -37.5 -10.9 20 20 A M S S+ 0 0 165 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 -0.007 83.0 43.0 -65.0 176.7 -26.3 -35.7 -13.6 21 21 A Q S S+ 0 0 182 1,-0.2 -1,-0.2 2,-0.0 2,-0.2 0.816 72.2 141.9 52.6 31.9 -29.8 -36.6 -14.6 22 22 A S S S- 0 0 59 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.210 81.2 -68.2 -96.0 42.3 -30.5 -36.9 -10.8 23 23 A G S S+ 0 0 67 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.910 73.4 166.6 72.3 97.4 -33.9 -35.4 -11.1 24 24 A H + 0 0 153 -3,-0.1 -1,-0.2 1,-0.0 3,-0.0 -0.999 27.9 178.6-145.2 142.7 -34.0 -31.7 -12.0 25 25 A S + 0 0 114 -2,-0.3 2,-0.3 0, 0.0 -1,-0.0 -0.004 66.8 65.0-130.8 26.9 -36.6 -29.3 -13.1 26 26 A K S S- 0 0 158 2,-0.1 2,-0.5 0, 0.0 -2,-0.0 -0.897 71.9-124.7-142.8 171.1 -34.5 -26.1 -13.3 27 27 A L + 0 0 141 -2,-0.3 2,-0.3 34,-0.0 34,-0.0 -0.810 59.0 113.1-125.4 90.9 -31.6 -24.6 -15.3 28 28 A K + 0 0 124 -2,-0.5 35,-0.2 35,-0.1 3,-0.1 -0.835 9.1 131.4-161.8 118.6 -28.8 -23.4 -13.0 29 29 A A + 0 0 29 33,-1.9 2,-0.3 1,-0.3 34,-0.2 0.549 66.9 53.4-134.2 -41.0 -25.2 -24.7 -12.6 30 30 A W E - C 0 62A 49 32,-2.1 32,-2.0 -16,-0.1 2,-0.4 -0.742 67.2-146.9-104.1 152.2 -22.9 -21.7 -12.8 31 31 A K E -BC 13 61A 73 -18,-2.5 -18,-2.2 -2,-0.3 2,-0.4 -0.912 9.1-166.6-119.8 146.2 -23.0 -18.6 -10.7 32 32 A L E +BC 12 60A 4 28,-2.7 28,-3.0 -2,-0.4 2,-0.3 -0.996 10.1 171.5-134.7 136.7 -22.0 -15.0 -11.6 33 33 A E E -B 11 0A 30 -22,-1.6 -22,-1.3 -2,-0.4 2,-0.4 -0.846 10.1-167.7-148.4 106.6 -21.5 -11.9 -9.4 34 34 A F E -B 10 0A 78 24,-0.4 -24,-0.2 -2,-0.3 3,-0.1 -0.754 27.7-111.4 -97.1 140.8 -20.1 -8.6 -10.7 35 35 A E - 0 0 104 -26,-2.4 -1,-0.1 -2,-0.4 2,-0.1 -0.176 43.5 -86.8 -64.6 160.1 -19.0 -5.9 -8.4 36 36 A P + 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -27,-0.1 -0.366 41.9 176.5 -69.7 146.8 -20.9 -2.6 -8.2 37 37 A S - 0 0 88 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.725 51.2 -50.7-112.9 -73.4 -20.1 0.2 -10.6 38 38 A C S S+ 0 0 99 1,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.905 108.7 16.7-172.8 143.2 -22.3 3.3 -10.3 39 39 A T S S- 0 0 120 -2,-0.3 -1,-0.0 1,-0.1 0, 0.0 0.914 79.4-158.8 55.8 46.2 -26.0 4.2 -10.1 40 40 A Q - 0 0 121 1,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.113 6.7-127.8 -53.7 152.5 -27.0 0.6 -9.4 41 41 A Y - 0 0 217 1,-0.1 2,-0.2 17,-0.0 -1,-0.1 -0.444 24.0 -92.7 -98.9 174.8 -30.5 -0.5 -10.1 42 42 A T - 0 0 124 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 -0.569 50.4 -86.3 -88.7 152.3 -33.2 -2.2 -8.0 43 43 A E - 0 0 92 -2,-0.2 -1,-0.2 13,-0.1 3,-0.0 -0.040 54.1 -94.6 -51.7 156.8 -33.7 -5.9 -7.9 44 44 A P - 0 0 77 0, 0.0 2,-0.8 0, 0.0 12,-0.1 -0.131 44.5 -88.2 -69.7 169.7 -36.0 -7.5 -10.5 45 45 A L + 0 0 163 2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.735 58.7 160.6 -86.4 111.1 -39.7 -8.2 -10.0 46 46 A M + 0 0 100 -2,-0.8 2,-0.3 8,-0.0 7,-0.1 -0.982 8.6 165.1-133.5 144.4 -40.2 -11.7 -8.5 47 47 A N - 0 0 124 -2,-0.4 2,-0.3 5,-0.1 5,-0.1 -0.980 6.1-179.8-157.9 144.2 -43.1 -13.3 -6.7 48 48 A W - 0 0 140 -2,-0.3 5,-0.3 1,-0.1 -2,-0.0 -0.931 18.7-162.3-142.2 164.6 -44.2 -16.8 -5.6 49 49 A T S S+ 0 0 146 -2,-0.3 3,-0.1 3,-0.1 -1,-0.1 0.752 89.0 50.3-113.2 -53.6 -47.0 -18.6 -3.8 50 50 A G S S+ 0 0 75 1,-0.2 2,-0.4 2,-0.0 -2,-0.0 0.896 126.0 19.5 -55.2 -43.4 -45.8 -22.0 -2.8 51 51 A S S S- 0 0 74 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.995 91.8-105.6-135.1 130.6 -42.6 -20.6 -1.3 52 52 A H - 0 0 172 -2,-0.4 2,-0.1 -3,-0.1 -3,-0.1 -0.217 43.2-111.8 -52.2 134.4 -41.9 -17.0 -0.2 53 53 A D - 0 0 54 -5,-0.3 2,-0.2 -7,-0.1 -1,-0.1 -0.426 29.7-131.1 -71.4 143.4 -39.6 -15.2 -2.6 54 54 A T - 0 0 100 -2,-0.1 2,-0.9 1,-0.0 -1,-0.1 -0.575 21.6-104.3 -94.5 158.8 -36.1 -14.4 -1.4 55 55 A K - 0 0 172 -2,-0.2 -1,-0.0 2,-0.0 -2,-0.0 -0.729 38.2-141.0 -86.2 106.5 -34.4 -11.0 -1.6 56 56 A Q - 0 0 73 -2,-0.9 -13,-0.1 -12,-0.1 -1,-0.0 -0.166 3.9-146.5 -62.0 158.9 -31.8 -11.2 -4.4 57 57 A Q - 0 0 140 2,-0.1 3,-0.1 -14,-0.0 -1,-0.1 -0.219 57.3 -85.6-122.2 41.5 -28.4 -9.5 -4.0 58 58 A V S S+ 0 0 71 1,-0.2 -24,-0.4 -25,-0.0 2,-0.3 0.654 86.8 147.0 65.2 14.4 -27.8 -8.4 -7.6 59 59 A C - 0 0 47 -26,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.604 37.7-145.3 -84.9 142.5 -26.4 -11.9 -8.1 60 60 A L E -C 32 0A 59 -28,-3.0 -28,-2.7 -2,-0.3 2,-0.5 -0.758 2.9-150.2-107.6 154.4 -26.7 -13.7 -11.5 61 61 A S E -C 31 0A 50 -2,-0.3 2,-0.2 -30,-0.2 -30,-0.2 -0.972 15.7-178.2-129.1 119.0 -27.2 -17.4 -12.2 62 62 A F E -C 30 0A 15 -32,-2.0 -32,-2.1 -2,-0.5 -33,-1.9 -0.708 23.1-151.7-111.8 164.0 -26.0 -19.0 -15.4 63 63 A T S S+ 0 0 52 1,-0.3 2,-0.4 -35,-0.2 -35,-0.1 0.816 82.3 33.5-100.2 -44.0 -26.3 -22.6 -16.7 64 64 A T S >> S- 0 0 72 1,-0.1 3,-2.0 -35,-0.1 4,-1.4 -0.936 73.0-130.6-119.4 139.8 -23.2 -22.9 -18.9 65 65 A R H 3>>S+ 0 0 158 -2,-0.4 4,-2.2 1,-0.3 5,-0.6 0.858 107.7 67.6 -51.7 -38.1 -19.8 -21.3 -18.3 66 66 A E H 3>5S+ 0 0 153 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.819 103.3 45.6 -52.6 -32.2 -19.9 -20.1 -21.9 67 67 A L H <>5S+ 0 0 93 -3,-2.0 4,-0.8 2,-0.1 -1,-0.3 0.853 114.2 48.0 -79.9 -37.4 -22.8 -17.8 -20.9 68 68 A A H >X5S+ 0 0 1 -4,-1.4 3,-1.9 2,-0.2 4,-1.0 0.997 115.1 40.4 -66.0 -66.9 -21.0 -16.6 -17.7 69 69 A I H 3X5S+ 0 0 30 -4,-2.2 4,-3.0 1,-0.3 5,-0.3 0.832 106.3 68.9 -51.7 -34.4 -17.6 -15.7 -19.1 70 70 A A H 3X<>S+ 0 0 2 -4,-1.0 5,-2.6 1,-0.2 3,-2.4 0.957 113.2 54.1 -59.9 -53.6 -17.3 -10.4 -18.7 73 73 A V H ><5S+ 0 0 84 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.805 93.3 74.8 -51.4 -30.8 -15.6 -10.8 -22.0 74 74 A A H 3<5S+ 0 0 73 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.832 116.6 17.7 -52.0 -34.4 -18.4 -8.6 -23.4 75 75 A H T <<5S- 0 0 159 -3,-2.4 -1,-0.3 -4,-0.5 -2,-0.2 0.024 113.3-105.9-126.6 24.5 -16.6 -5.7 -21.7 76 76 A K T < 5 + 0 0 186 -3,-1.4 2,-0.3 1,-0.2 -3,-0.3 0.871 61.6 172.0 51.9 40.2 -13.2 -7.3 -21.2 77 77 A I < - 0 0 31 -5,-2.6 2,-1.0 -6,-0.1 -1,-0.2 -0.597 41.6-108.4 -83.2 141.0 -14.0 -7.6 -17.5 78 78 A D E -a 9 0A 108 -70,-0.6 -68,-2.3 -2,-0.3 2,-0.4 -0.557 42.3-170.5 -71.3 102.9 -11.7 -9.6 -15.2 79 79 A Y E -a 10 0A 102 -2,-1.0 2,-0.4 -70,-0.2 -68,-0.2 -0.817 7.4-153.6-100.5 134.8 -13.7 -12.7 -14.4 80 80 A T E -a 11 0A 72 -70,-2.3 -68,-2.7 -2,-0.4 2,-0.6 -0.888 6.8-141.9-110.1 136.9 -12.5 -15.2 -11.8 81 81 A V E -a 12 0A 86 -2,-0.4 2,-0.4 -70,-0.1 -68,-0.2 -0.856 15.7-163.6-100.6 122.5 -13.4 -18.9 -11.7 82 82 A L E -a 13 0A 67 -70,-2.2 -68,-2.7 -2,-0.6 2,-0.3 -0.873 9.4-140.9-107.7 136.6 -14.0 -20.5 -8.3 83 83 A Q - 0 0 98 -2,-0.4 -67,-0.1 -70,-0.2 4,-0.1 -0.679 11.7-136.6 -95.4 148.7 -14.1 -24.2 -7.7 84 84 A D S S+ 0 0 43 -69,-0.5 -1,-0.1 -2,-0.3 -68,-0.1 0.828 90.7 25.9 -70.2 -32.5 -16.5 -26.0 -5.4 85 85 A N S S- 0 0 107 1,-0.1 -1,-0.1 -3,-0.0 -2,-0.0 -0.896 91.4 -94.9-131.1 160.6 -13.7 -28.1 -3.9 86 86 A P - 0 0 108 0, 0.0 2,-0.8 0, 0.0 -2,-0.1 -0.220 37.2-112.1 -69.7 161.8 -9.9 -27.8 -3.4 87 87 A R - 0 0 206 -4,-0.1 2,-0.2 2,-0.0 -4,-0.0 -0.850 33.7-163.7-102.4 105.2 -7.4 -29.2 -5.9 88 88 A T - 0 0 122 -2,-0.8 2,-0.3 1,-0.0 0, 0.0 -0.566 14.3-126.4 -87.2 150.8 -5.4 -32.1 -4.4 89 89 A I - 0 0 143 -2,-0.2 3,-0.1 1,-0.1 -1,-0.0 -0.741 31.7 -95.9 -98.7 145.2 -2.2 -33.4 -5.8 90 90 A V - 0 0 120 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 -0.065 53.0 -84.8 -52.9 155.8 -1.5 -37.0 -6.7 91 91 A P - 0 0 110 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.531 41.8-128.8 -69.7 113.4 0.2 -39.3 -4.1 92 92 A K + 0 0 183 -2,-0.5 2,-0.2 -3,-0.1 -3,-0.0 -0.504 43.0 166.7 -66.9 107.7 4.0 -38.8 -4.5 93 93 A S - 0 0 87 -2,-0.7 2,-0.3 0, 0.0 -1,-0.0 -0.545 19.8-162.9-114.7-178.8 5.4 -42.4 -4.8 94 94 A Y - 0 0 204 -2,-0.2 2,-0.1 2,-0.0 -2,-0.0 -0.882 9.7-140.3-169.1 134.2 8.7 -44.0 -5.8 95 95 A A - 0 0 102 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.339 14.2-164.3 -90.7 175.2 9.9 -47.4 -6.8 96 96 A D + 0 0 141 -2,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.893 8.9 174.3-164.7 130.9 13.1 -49.2 -5.8 97 97 A N - 0 0 139 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.986 6.5-168.1-140.8 149.9 15.0 -52.2 -7.2 98 98 A F - 0 0 160 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.913 2.6-162.4-135.3 161.9 18.3 -53.9 -6.5 99 99 A T - 0 0 131 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.990 3.2-164.5-149.0 137.2 20.6 -56.5 -8.1 100 100 A K - 0 0 155 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.814 28.2 -98.0-120.2 160.8 23.4 -58.7 -6.8 101 101 A P - 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.142 30.2-120.7 -69.7 168.8 26.1 -60.8 -8.6 102 102 A R - 0 0 234 2,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.850 26.9-160.7-118.6 95.2 26.0 -64.6 -9.1 103 103 A D 0 0 147 -2,-0.6 0, 0.0 1,-0.1 0, 0.0 -0.377 360.0 360.0 -72.6 151.3 28.9 -66.4 -7.4 104 104 A M 0 0 232 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.625 360.0 360.0 -61.9 360.0 29.8 -69.9 -8.5