==== 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 21-DEC-05 2FG9 . COMPND 2 MOLECULE: 5-NITROIMIDAZOLE ANTIBIOTIC RESISTANCE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 72.3 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 . 66 39.8 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 18 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 18.1 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+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 1 0 0 1 0 1 0 0 1 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 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 . 0 0 2 1 1 2 1 1 0 0 0 0 1 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 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 -12 A H 0 0 177 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.3 24.9 31.6 28.2 2 -11 A H - 0 0 140 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.895 360.0-146.2-143.0 166.2 22.0 29.2 27.4 3 -10 A H - 0 0 152 -2,-0.3 2,-0.5 2,-0.0 0, 0.0 -0.941 9.2-141.5-135.1 153.8 20.1 26.2 28.7 4 -9 A H - 0 0 94 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.984 21.8-173.0-116.5 124.0 18.5 23.2 27.1 5 -8 A H - 0 0 167 -2,-0.5 2,-0.4 0, 0.0 -2,-0.0 -0.921 5.3-159.0-117.2 144.5 15.2 22.0 28.8 6 -7 A H - 0 0 60 -2,-0.4 3,-0.2 1,-0.1 -2,-0.0 -0.948 15.3-157.8-120.5 145.9 13.3 18.9 27.9 7 -6 A E S S+ 0 0 118 -2,-0.4 2,-0.1 1,-0.2 -1,-0.1 0.759 89.4 38.9 -80.9 -31.0 9.6 18.0 28.6 8 -5 A N + 0 0 60 2,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.386 68.6 152.1-132.9 58.7 10.0 14.2 28.4 9 -4 A L - 0 0 59 -3,-0.2 2,-0.6 158,-0.2 158,-0.2 -0.703 29.2-150.9 -92.1 136.0 13.2 12.8 30.0 10 -3 A Y E -A 166 0A 170 156,-3.3 156,-2.3 -2,-0.4 -2,-0.0 -0.944 18.7-126.7-111.6 115.6 13.3 9.2 31.5 11 -2 A F E +A 165 0A 140 -2,-0.6 154,-0.2 154,-0.2 2,-0.1 -0.220 38.9 163.5 -53.2 142.1 15.6 8.6 34.3 12 -1 A Q E - 0 0 78 152,-2.2 -1,-0.1 1,-0.4 153,-0.1 -0.406 34.0 -21.7-139.2-142.7 18.0 5.7 33.9 13 0 A G E - 0 0 48 -2,-0.1 151,-2.3 150,-0.1 -1,-0.4 -0.026 34.3-151.8 -67.6 166.9 21.2 4.3 35.2 14 1 A X E -A 163 0A 111 149,-0.2 2,-0.4 2,-0.0 149,-0.2 -0.920 22.3-173.2-119.1 143.8 23.9 5.7 37.1 15 2 A K E -A 162 0A 77 147,-1.9 147,-2.8 -2,-0.4 2,-0.4 -0.993 12.4-152.0-130.0 139.3 27.1 3.9 36.5 16 3 A T E -A 161 0A 87 -2,-0.4 2,-0.4 145,-0.2 145,-0.2 -0.872 9.8-159.7-100.4 148.6 30.4 4.5 38.2 17 4 A I E -A 160 0A 85 143,-2.5 143,-3.1 -2,-0.4 2,-0.3 -0.980 18.7-121.7-123.8 142.1 33.6 3.7 36.4 18 5 A V E -A 159 0A 100 -2,-0.4 2,-0.7 141,-0.2 141,-0.3 -0.655 15.8-142.0 -82.2 133.5 36.9 3.1 38.2 19 6 A I E +A 158 0A 7 139,-1.8 139,-0.7 -2,-0.3 6,-0.0 -0.901 22.2 176.1 -94.3 115.8 39.8 5.4 37.3 20 7 A E + 0 0 118 -2,-0.7 2,-0.3 137,-0.1 -1,-0.2 0.808 48.0 99.6 -85.3 -37.2 42.9 3.3 37.2 21 8 A D > - 0 0 83 1,-0.2 4,-1.8 2,-0.1 3,-0.2 -0.386 58.5-157.6 -67.2 113.6 45.5 5.9 36.1 22 9 A K H > S+ 0 0 85 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.840 92.4 53.1 -61.5 -37.6 47.4 7.2 39.1 23 10 A Q H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 108.5 51.3 -66.4 -36.5 48.3 10.5 37.4 24 11 A R H > S+ 0 0 102 -3,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.875 110.9 47.0 -66.7 -39.1 44.7 11.1 36.6 25 12 A I H X S+ 0 0 6 -4,-1.8 4,-2.3 2,-0.2 3,-0.2 0.937 113.3 49.2 -66.3 -46.3 43.7 10.5 40.2 26 13 A E H X S+ 0 0 32 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.862 105.9 58.1 -61.4 -33.5 46.5 12.8 41.4 27 14 A S H X S+ 0 0 52 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.901 106.2 48.4 -62.7 -39.0 45.2 15.4 38.8 28 15 A I H X S+ 0 0 0 -4,-1.5 4,-1.1 -3,-0.2 -2,-0.2 0.948 112.5 48.4 -64.1 -48.8 41.8 15.4 40.5 29 16 A I H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.911 112.3 49.0 -55.7 -45.1 43.5 15.8 43.9 30 17 A L H 3< S+ 0 0 95 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.809 110.3 51.2 -69.4 -29.3 45.7 18.6 42.6 31 18 A Q H 3< S+ 0 0 118 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.672 90.6 98.5 -75.5 -21.7 42.6 20.4 41.1 32 19 A A << - 0 0 5 -4,-1.1 3,-0.1 -3,-0.6 54,-0.1 -0.444 57.0-159.7 -78.6 145.1 40.6 20.2 44.3 33 20 A D S S+ 0 0 73 1,-0.2 20,-0.3 -2,-0.1 2,-0.3 0.809 77.8 12.6 -88.0 -35.5 40.5 23.3 46.6 34 21 A A - 0 0 30 51,-0.2 51,-0.4 18,-0.1 2,-0.3 -0.908 66.8-145.1-134.8 166.5 39.4 21.4 49.6 35 22 A C E -B 51 0A 1 16,-2.4 16,-2.7 -2,-0.3 2,-0.6 -0.878 16.8-126.3-131.2 159.4 39.2 17.8 50.7 36 23 A F E -BC 50 83A 101 47,-2.4 47,-2.4 -2,-0.3 2,-0.6 -0.952 22.6-156.5-115.0 111.2 36.7 16.0 52.9 37 24 A V E -BC 49 82A 0 12,-3.3 12,-3.1 -2,-0.6 2,-0.5 -0.823 2.0-155.9 -96.4 116.8 38.3 14.2 55.8 38 25 A G E +BC 48 81A 19 43,-2.8 43,-1.6 -2,-0.6 2,-0.3 -0.822 17.4 173.2 -90.6 129.4 36.3 11.3 57.3 39 26 A I E -BC 47 80A 4 8,-2.8 8,-1.6 -2,-0.5 2,-0.4 -0.978 34.1-120.1-132.4 141.4 37.2 10.4 60.9 40 27 A T E -B 46 0A 48 39,-0.5 37,-0.2 -2,-0.3 36,-0.1 -0.729 36.0-136.4 -80.2 129.6 35.4 7.9 63.1 41 28 A D > - 0 0 28 4,-3.5 3,-1.7 -2,-0.4 6,-0.1 -0.143 29.5 -88.6 -82.7-175.2 34.1 9.7 66.1 42 29 A L T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.615 127.8 49.6 -74.8 -14.7 34.3 8.5 69.8 43 30 A E T 3 S- 0 0 160 2,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.268 122.7-101.3-100.2 4.1 31.0 6.7 69.5 44 31 A G S < S+ 0 0 45 -3,-1.7 -2,-0.1 1,-0.3 -4,-0.0 0.575 82.4 124.7 88.3 8.5 31.9 4.9 66.2 45 32 A N - 0 0 85 1,-0.1 -4,-3.5 -5,-0.0 -1,-0.3 -0.658 65.6 -90.7-103.8 157.7 29.9 7.2 63.9 46 33 A P E -B 40 0A 115 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.336 33.1-174.1 -68.1 146.4 31.2 9.1 60.9 47 34 A Y E -B 39 0A 88 -8,-1.6 -8,-2.8 -6,-0.1 2,-0.5 -0.966 4.7-169.4-136.8 119.5 32.5 12.7 61.1 48 35 A V E +B 38 0A 93 -2,-0.4 -10,-0.3 -10,-0.2 34,-0.0 -0.955 7.4 178.8-117.9 123.7 33.4 14.4 57.8 49 36 A V E -B 37 0A 24 -12,-3.1 -12,-3.3 -2,-0.5 2,-0.3 -0.954 23.8-131.1-126.8 128.7 35.3 17.7 58.0 50 37 A P E +B 36 0A 78 0, 0.0 2,-0.3 0, 0.0 -14,-0.2 -0.638 35.6 168.1 -78.4 150.0 36.4 19.8 55.1 51 38 A X E -B 35 0A 20 -16,-2.7 -16,-2.4 -2,-0.3 2,-0.1 -0.987 35.9-110.1-155.2 153.4 40.0 20.9 55.1 52 39 A N + 0 0 81 -2,-0.3 11,-0.3 11,-0.2 2,-0.3 -0.431 45.7 171.8 -80.5 165.2 42.7 22.5 53.0 53 40 A F - 0 0 0 -20,-0.3 2,-0.3 74,-0.2 9,-0.2 -0.988 30.7-137.4-164.0 165.6 45.6 20.3 52.0 54 41 A G E -G 61 0B 0 7,-1.7 7,-2.2 -2,-0.3 2,-0.4 -0.933 17.6-157.3-130.4 157.3 48.7 19.7 50.1 55 42 A Y E +G 60 0B 19 -2,-0.3 2,-0.3 71,-0.3 5,-0.2 -0.978 22.3 147.2-138.8 122.6 49.7 16.6 48.2 56 43 A E E > -G 59 0B 72 3,-2.2 3,-0.8 -2,-0.4 -2,-0.1 -0.948 65.7 -3.0-150.1 144.5 53.1 15.3 47.2 57 44 A N T 3 S- 0 0 122 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.910 127.3 -49.4 50.2 59.3 54.8 11.9 46.7 58 45 A D T 3 S+ 0 0 65 1,-0.1 95,-3.3 94,-0.1 2,-0.4 0.682 116.9 111.2 57.0 29.7 51.8 9.8 47.9 59 46 A T E < -GH 56 152B 17 -3,-0.8 -3,-2.2 93,-0.3 2,-0.4 -0.995 53.5-153.6-138.9 132.3 51.4 11.9 51.0 60 47 A L E -GH 55 151B 1 91,-2.5 91,-2.7 -2,-0.4 2,-0.4 -0.854 11.0-161.8-103.7 144.0 48.7 14.3 52.1 61 48 A Y E +GH 54 150B 21 -7,-2.2 -7,-1.7 -2,-0.4 2,-0.3 -0.989 14.9 164.6-127.9 134.5 49.4 17.2 54.5 62 49 A L E - H 0 149B 1 87,-1.9 87,-2.1 -2,-0.4 2,-0.3 -0.806 16.2-153.1-135.2 174.4 46.9 19.1 56.5 63 50 A H E + H 0 148B 55 -11,-0.3 2,-0.3 -2,-0.3 85,-0.2 -0.981 17.5 157.3-153.1 154.1 47.0 21.5 59.5 64 51 A S E - H 0 147B 16 83,-2.2 83,-2.9 -2,-0.3 -13,-0.0 -0.912 48.9 -70.0-157.5 175.8 44.8 22.5 62.3 65 52 A G - 0 0 35 -2,-0.3 81,-0.2 81,-0.2 82,-0.1 -0.273 57.6-103.6 -65.3 168.5 44.7 24.0 65.7 66 53 A P S S+ 0 0 39 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.573 85.0 82.5 -80.3 -9.3 46.1 21.7 68.4 67 54 A E - 0 0 138 4,-0.1 -2,-0.2 80,-0.0 3,-0.1 -0.845 63.8 -31.2-141.3 175.6 42.6 20.7 69.8 68 55 A G S >> S+ 0 0 31 -2,-0.2 4,-3.0 1,-0.1 3,-1.3 -0.434 78.0 34.8-126.1 -56.7 40.0 19.3 70.0 69 56 A G H 3> S+ 0 0 48 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.814 124.6 29.7 -42.8 -66.8 37.0 17.6 68.3 70 57 A K H 3> S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.693 119.8 59.5 -63.7 -21.3 38.7 15.9 65.4 71 58 A I H <> S+ 0 0 1 -3,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.938 102.4 48.9 -76.8 -49.9 41.9 15.6 67.5 72 59 A E H X S+ 0 0 66 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.920 113.4 50.1 -51.6 -42.4 40.4 13.6 70.3 73 60 A X H >X S+ 0 0 25 -4,-1.6 4,-2.6 -5,-0.4 3,-0.8 0.942 108.9 49.6 -65.3 -47.8 38.9 11.3 67.6 74 61 A L H 3< S+ 0 0 7 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 104.0 60.1 -64.3 -26.9 42.2 10.8 65.8 75 62 A Q H 3< S+ 0 0 129 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.831 112.5 38.8 -70.6 -28.6 43.9 10.0 69.0 76 63 A R H << S+ 0 0 119 -4,-1.1 2,-0.3 -3,-0.8 -2,-0.2 0.840 140.0 6.4 -83.0 -40.6 41.5 7.0 69.4 77 64 A N < - 0 0 41 -4,-2.6 -1,-0.3 -37,-0.2 -37,-0.2 -0.891 60.1-174.8-146.0 112.7 41.5 6.1 65.7 78 65 A N + 0 0 58 -2,-0.3 33,-2.7 -3,-0.2 2,-0.4 0.298 47.8 117.3 -97.2 9.4 43.9 7.8 63.3 79 66 A N E - D 0 110A 75 31,-0.2 -39,-0.5 29,-0.1 2,-0.3 -0.672 44.0-177.7 -73.4 127.0 42.5 6.1 60.1 80 67 A V E -CD 39 109A 7 29,-2.5 29,-1.7 -2,-0.4 2,-0.5 -0.942 25.9-149.4-127.4 149.3 41.1 8.7 57.8 81 68 A C E -CD 38 108A 37 -43,-1.6 -43,-2.8 -2,-0.3 2,-0.6 -0.977 19.3-165.6-115.6 114.0 39.3 8.6 54.4 82 69 A I E -CD 37 107A 0 25,-3.3 25,-2.9 -2,-0.5 2,-0.3 -0.913 7.6-170.0-110.8 119.6 40.1 11.8 52.5 83 70 A T E -CD 36 106A 43 -47,-2.4 -47,-2.4 -2,-0.6 2,-0.3 -0.811 7.5-172.2-119.1 145.5 37.9 12.4 49.5 84 71 A F E + D 0 105A 0 21,-2.8 21,-1.9 -2,-0.3 2,-0.3 -0.973 6.0 174.5-135.1 142.8 38.0 15.0 46.6 85 72 A S E - D 0 104A 70 -51,-0.4 2,-0.2 -2,-0.3 19,-0.2 -0.965 19.2-146.4-153.8 145.7 35.7 15.9 43.8 86 73 A L - 0 0 38 17,-1.6 17,-0.4 -2,-0.3 -54,-0.1 -0.653 46.2 -80.0 -99.9 161.1 35.4 18.4 41.1 87 74 A G - 0 0 70 -2,-0.2 16,-0.3 1,-0.1 -1,-0.2 0.067 51.6 -98.0 -53.6 167.1 32.1 19.8 39.9 88 75 A H - 0 0 118 14,-0.1 2,-0.4 -3,-0.1 14,-0.2 -0.557 30.2-145.2 -83.1 150.5 29.8 17.9 37.6 89 76 A K E -E 101 0A 92 12,-3.2 12,-3.0 -2,-0.2 2,-0.5 -0.910 8.8-135.5-110.4 152.5 29.6 18.5 33.9 90 77 A L E -E 100 0A 80 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.904 22.8-176.3-106.2 124.2 26.6 18.2 31.8 91 78 A V E -E 99 0A 55 8,-3.0 8,-1.5 -2,-0.5 2,-0.5 -0.994 12.5-158.6-125.7 123.4 26.9 16.4 28.5 92 79 A Y E -E 98 0A 55 -2,-0.4 2,-0.4 6,-0.2 6,-0.2 -0.921 12.1-153.3 -99.7 124.7 24.1 16.1 25.9 93 80 A Q E E 97 0A 80 4,-1.7 4,-1.3 -2,-0.5 -2,-0.0 -0.792 360.0 360.0-100.2 136.4 24.6 13.1 23.5 94 81 A H 0 0 196 -2,-0.4 -1,-0.1 2,-0.2 0, 0.0 0.711 360.0 360.0-126.3 360.0 23.0 13.5 20.1 95 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 96 86 A C 0 0 60 0, 0.0 71,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.8 18.8 12.6 22.7 97 87 A S E -EF 93 166A 24 -4,-1.3 -4,-1.7 69,-0.2 2,-0.4 -0.996 360.0-146.9-156.1 139.7 20.4 11.9 26.0 98 88 A Y E +EF 92 165A 60 67,-3.6 67,-2.6 -2,-0.3 2,-0.4 -0.933 17.9 178.4-119.7 137.6 21.4 13.7 29.2 99 89 A S E -EF 91 164A 25 -8,-1.5 -8,-3.0 -2,-0.4 2,-0.5 -0.987 15.1-162.2-143.2 127.5 24.4 12.8 31.3 100 90 A X E -EF 90 163A 44 63,-2.4 63,-2.7 -2,-0.4 2,-0.4 -0.978 24.5-175.3-114.6 119.3 25.7 14.5 34.4 101 91 A R E +EF 89 162A 45 -12,-3.0 -12,-3.2 -2,-0.5 2,-0.3 -0.918 13.2 159.7-127.5 134.0 29.3 13.4 35.0 102 92 A S E - 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