==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 08-NOV-08 3F7E . COMPND 2 MOLECULE: PYRIDOXAMINE 5'-PHOSPHATE OXIDASE-RELATED, FMN- . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR C.J.JACKSON . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 65.0 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 . 84 33.1 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 0 0 2 2 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 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 2 2 0 0 4 2 0 0 2 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 2 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 2 A V 0 0 108 0, 0.0 2,-0.2 0, 0.0 123,-0.1 0.000 360.0 360.0 360.0 125.9 -6.7 6.6 5.4 2 3 A A - 0 0 88 1,-0.1 123,-0.1 123,-0.0 3,-0.1 -0.552 360.0-122.1 -80.4 135.9 -3.7 5.3 3.4 3 4 A V - 0 0 26 -2,-0.2 3,-0.2 1,-0.1 5,-0.1 -0.585 48.4 -90.1 -56.8 133.9 -0.6 7.5 2.5 4 5 A P > - 0 0 30 0, 0.0 3,-2.5 0, 0.0 4,-0.5 -0.170 57.9 -85.2 -48.7 143.9 -0.2 7.6 -1.3 5 6 A E T 3 S+ 0 0 191 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 -0.277 112.9 5.8 -86.0 127.5 2.0 4.8 -2.4 6 7 A G T 3 S+ 0 0 56 -3,-0.2 -1,-0.3 1,-0.0 4,-0.0 0.561 107.2 90.3 83.9 8.7 5.6 5.9 -2.0 7 8 A Y X> + 0 0 49 -3,-2.5 3,-1.7 2,-0.1 4,-0.7 0.467 57.5 87.8-111.8 -8.6 5.0 9.3 -0.3 8 9 A E H >> S+ 0 0 67 -4,-0.5 4,-0.9 1,-0.3 3,-0.7 0.800 75.7 74.8 -59.0 -27.3 5.2 8.1 3.3 9 10 A S H 3> S+ 0 0 48 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.800 87.6 58.9 -52.8 -34.9 8.9 8.7 3.0 10 11 A L H X4 S+ 0 0 0 -3,-1.7 3,-0.7 1,-0.2 5,-0.3 0.873 105.0 49.7 -65.1 -35.9 8.3 12.5 3.2 11 12 A L H << S+ 0 0 1 -3,-0.7 26,-0.3 -4,-0.7 -1,-0.2 0.660 106.1 57.0 -77.3 -18.5 6.7 12.0 6.6 12 13 A E H 3< S+ 0 0 130 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.562 93.5 87.1 -84.5 -11.0 9.6 9.9 7.8 13 14 A R S << S- 0 0 78 -3,-0.7 2,-2.3 -4,-0.6 88,-0.1 -0.593 89.9-110.6 -91.7 152.1 12.1 12.7 7.1 14 15 A P + 0 0 72 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.436 69.5 137.7 -79.3 68.3 13.1 15.5 9.5 15 16 A L - 0 0 23 -2,-2.3 20,-0.3 -5,-0.3 2,-0.2 -0.796 59.3-101.1-108.7 153.5 11.4 18.2 7.4 16 17 A Y - 0 0 59 -2,-0.3 2,-0.5 51,-0.1 51,-0.4 -0.514 29.9-152.0 -70.7 139.6 9.3 21.1 8.5 17 18 A G E -A 33 0A 0 16,-2.7 16,-2.3 -2,-0.2 2,-0.9 -0.959 9.6-139.8-108.8 135.4 5.6 20.7 8.3 18 19 A H E -AB 32 65A 7 47,-2.9 47,-1.9 -2,-0.5 2,-0.5 -0.817 24.0-158.4 -99.8 106.2 3.5 23.9 7.8 19 20 A L E -AB 31 64A 6 12,-2.5 12,-1.8 -2,-0.9 2,-0.4 -0.792 4.4-160.3 -98.5 120.4 0.5 23.3 10.1 20 21 A A E +AB 30 63A 0 43,-3.5 43,-1.8 -2,-0.5 2,-0.3 -0.832 13.6 171.2-103.2 137.9 -2.7 25.2 9.4 21 22 A T E -A 29 0A 3 8,-2.4 8,-2.4 -2,-0.4 2,-0.4 -0.805 28.1-120.4-131.2 171.0 -5.5 25.7 11.9 22 23 A V E -A 28 0A 3 39,-0.4 36,-0.1 37,-0.3 37,-0.1 -0.972 19.5-133.1-121.5 134.3 -8.6 27.9 11.8 23 24 A R > - 0 0 50 4,-3.1 3,-2.4 -2,-0.4 32,-0.0 -0.366 31.7-105.0 -74.3 158.7 -9.4 30.7 14.3 24 25 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 31,-0.0 0.788 121.6 62.3 -53.6 -26.3 -12.9 31.0 15.9 25 26 A D T 3 S- 0 0 110 2,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.402 121.0-108.5 -81.3 1.9 -13.5 34.0 13.6 26 27 A G S < S+ 0 0 26 -3,-2.4 162,-0.1 1,-0.3 127,-0.1 0.559 80.0 122.0 87.6 6.2 -13.1 31.7 10.6 27 28 A T - 0 0 26 160,-0.0 -4,-3.1 1,-0.0 -1,-0.3 -0.779 59.3-113.3-102.4 150.8 -9.7 33.0 9.4 28 29 A P E -A 22 0A 2 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.394 20.4-164.8 -86.8 160.5 -6.6 30.7 9.0 29 30 A Q E -A 21 0A 9 -8,-2.4 -8,-2.4 -2,-0.1 2,-0.3 -0.983 8.8-175.2-132.9 142.0 -3.3 30.5 10.9 30 31 A V E +A 20 0A 0 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.994 3.6 176.4-145.0 138.2 -0.3 28.5 9.6 31 32 A N E -A 19 0A 21 -12,-1.8 -12,-2.5 -2,-0.3 2,-0.3 -0.997 35.0-111.9-142.0 140.8 3.1 27.9 11.3 32 33 A A E +A 18 0A 23 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.560 48.9 176.5 -71.7 132.9 6.3 25.9 10.4 33 34 A X E -A 17 0A 19 -16,-2.3 -16,-2.7 -2,-0.3 2,-0.2 -0.985 36.2-120.8-138.9 144.8 6.5 23.0 12.9 34 35 A W - 0 0 41 -2,-0.3 11,-0.4 -18,-0.2 2,-0.3 -0.617 41.9-173.3 -69.9 148.6 8.6 20.0 13.8 35 36 A F - 0 0 0 -20,-0.3 2,-0.4 -2,-0.2 9,-0.2 -0.971 21.2-144.4-140.1 161.6 6.4 16.9 13.6 36 37 A A E -C 43 0A 23 7,-2.1 7,-2.4 -2,-0.3 2,-0.4 -0.981 11.8-163.9-123.6 139.7 6.7 13.1 14.4 37 38 A W E -C 42 0A 35 -2,-0.4 5,-0.2 -26,-0.3 -2,-0.0 -0.990 11.9-177.9-123.1 128.7 4.9 10.4 12.4 38 39 A D - 0 0 86 3,-1.7 4,-0.1 -2,-0.4 -1,-0.1 0.254 63.3 -90.6-108.3 11.9 4.5 6.9 13.7 39 40 A G S S+ 0 0 36 2,-0.2 3,-0.1 -31,-0.1 -27,-0.0 0.186 122.2 40.2 97.0 -13.5 2.8 5.4 10.6 40 41 A E S S+ 0 0 129 1,-0.4 2,-0.3 81,-0.0 -3,-0.0 0.624 115.3 23.5-131.1 -44.6 -0.7 6.3 11.9 41 42 A V - 0 0 3 80,-0.2 -3,-1.7 2,-0.0 -1,-0.4 -0.921 62.4-129.6-132.3 154.4 -0.7 9.7 13.6 42 43 A L E -CD 37 120A 2 78,-2.6 78,-2.9 -2,-0.3 2,-0.4 -0.819 23.5-158.7 -95.3 142.0 1.2 13.0 13.5 43 44 A R E -CD 36 119A 78 -7,-2.4 -7,-2.1 -2,-0.4 2,-0.3 -0.985 9.9-177.9-126.4 141.0 2.4 14.5 16.8 44 45 A F E - D 0 118A 1 74,-1.9 74,-2.7 -2,-0.4 2,-0.5 -0.912 25.8-123.0-129.8 155.9 3.3 18.1 17.5 45 46 A T E + D 0 117A 23 -11,-0.4 2,-0.3 -2,-0.3 72,-0.2 -0.874 42.5 154.1-100.7 131.2 4.6 20.1 20.5 46 47 A H E - D 0 116A 9 70,-1.9 70,-2.7 -2,-0.5 2,-0.3 -0.917 35.8-125.5-139.1 167.0 2.5 23.1 21.6 47 48 A T E > - D 0 115A 15 -2,-0.3 3,-0.8 68,-0.2 6,-0.3 -0.867 20.5-126.2-110.8 161.7 1.8 25.0 24.7 48 49 A T T 3 S+ 0 0 48 66,-2.0 67,-0.1 -2,-0.3 -1,-0.0 0.463 101.6 67.5 -78.9 0.6 -1.6 25.6 26.2 49 50 A K T 3 S+ 0 0 138 65,-0.2 -1,-0.2 4,-0.1 2,-0.2 0.465 84.0 80.1-104.5 -6.0 -1.0 29.4 26.3 50 51 A R S X> S- 0 0 126 -3,-0.8 4,-1.6 1,-0.1 3,-0.6 -0.628 83.7-110.4-104.7 166.7 -0.9 30.3 22.5 51 52 A Q H 3> S+ 0 0 46 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.818 111.9 64.0 -62.8 -37.2 -3.5 31.0 19.8 52 53 A K H 3> S+ 0 0 42 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.903 105.4 47.0 -57.5 -40.1 -2.7 27.8 17.9 53 54 A Y H <> S+ 0 0 40 -3,-0.6 4,-2.1 -6,-0.3 -1,-0.2 0.939 110.8 50.4 -64.5 -47.7 -3.8 25.8 20.9 54 55 A R H X S+ 0 0 119 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.887 107.2 56.5 -57.7 -36.5 -7.0 27.8 21.3 55 56 A N H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.4 0.942 109.1 44.5 -59.7 -48.2 -7.8 27.3 17.6 56 57 A I H < S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.820 106.6 59.5 -72.9 -28.4 -7.7 23.5 17.9 57 58 A K H < S+ 0 0 120 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.840 116.3 34.9 -65.1 -31.9 -9.7 23.5 21.1 58 59 A A H < S+ 0 0 71 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.735 135.7 19.4 -93.3 -24.1 -12.6 25.2 19.2 59 60 A N < - 0 0 44 -4,-2.2 -37,-0.3 -5,-0.2 -1,-0.3 -0.869 63.0-166.7-148.3 105.7 -12.0 23.5 15.8 60 61 A P + 0 0 61 0, 0.0 22,-2.7 0, 0.0 2,-0.4 0.497 55.2 110.1 -76.3 -2.0 -10.1 20.2 15.7 61 62 A A E + E 0 81A 6 20,-0.2 -39,-0.4 92,-0.1 2,-0.3 -0.618 42.8 165.2 -81.5 130.9 -9.6 20.2 11.9 62 63 A V E - E 0 80A 5 18,-2.5 18,-2.4 -2,-0.4 2,-0.3 -0.834 23.1-154.5-134.8 169.3 -6.1 20.9 10.7 63 64 A A E -BE 20 79A 2 -43,-1.8 -43,-3.5 -2,-0.3 2,-0.4 -0.990 6.9-159.9-146.5 144.9 -3.9 20.6 7.6 64 65 A X E -BE 19 78A 2 14,-2.6 14,-3.2 -2,-0.3 2,-0.5 -0.991 1.8-159.2-132.1 134.3 -0.1 20.2 7.1 65 66 A S E +BE 18 77A 1 -47,-1.9 -47,-2.9 -2,-0.4 2,-0.4 -0.949 12.0 177.7-112.5 125.5 2.0 20.9 4.1 66 67 A V E - E 0 76A 0 10,-2.5 10,-2.7 -2,-0.5 2,-0.4 -0.976 5.9-169.5-123.7 140.2 5.4 19.3 3.6 67 68 A I E - E 0 75A 25 -51,-0.4 8,-0.2 -2,-0.4 -51,-0.1 -0.982 32.2-107.9-130.8 142.4 7.7 19.8 0.6 68 69 A D - 0 0 20 6,-2.8 6,-0.2 3,-0.4 -58,-0.0 -0.524 30.9-139.0 -62.5 130.3 10.9 18.0 -0.5 69 70 A P S S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -54,-0.0 0.695 96.7 34.4 -70.5 -16.4 13.6 20.6 0.1 70 71 A D S S+ 0 0 140 1,-0.2 -2,-0.1 4,-0.1 0, 0.0 0.661 123.4 38.3-113.4 -27.2 15.5 19.9 -3.1 71 72 A N > - 0 0 74 3,-0.2 3,-2.2 1,-0.1 -3,-0.4 -0.844 62.4-170.1-126.3 101.2 12.7 19.0 -5.5 72 73 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.627 81.8 70.8 -68.7 -11.4 9.6 21.2 -5.0 73 74 A Y T 3 S+ 0 0 124 1,-0.1 2,-0.6 -6,-0.1 -6,-0.0 0.632 87.7 74.6 -76.6 -11.4 7.5 19.0 -7.4 74 75 A R < + 0 0 61 -3,-2.2 -6,-2.8 -6,-0.2 2,-0.3 -0.907 68.9 133.1-102.0 116.1 7.6 16.3 -4.7 75 76 A Y E -E 67 0A 44 -2,-0.6 2,-0.4 52,-0.3 -8,-0.2 -0.959 40.4-143.9-156.4 169.6 5.2 17.2 -1.8 76 77 A L E -E 66 0A 0 -10,-2.7 -10,-2.5 -2,-0.3 2,-0.5 -0.975 4.1-162.8-150.4 128.5 2.5 15.9 0.6 77 78 A E E -EF 65 126A 27 49,-2.7 49,-2.1 -2,-0.4 2,-0.5 -0.957 12.4-167.6-110.9 124.1 -0.6 17.7 2.0 78 79 A V E -EF 64 125A 3 -14,-3.2 -14,-2.6 -2,-0.5 2,-0.3 -0.951 5.4-170.1-117.1 116.7 -2.2 16.0 5.0 79 80 A R E +EF 63 124A 71 45,-2.3 44,-3.1 -2,-0.5 45,-1.7 -0.769 27.8 138.1 -96.7 150.5 -5.7 17.0 6.3 80 81 A G E -EF 62 122A 2 -18,-2.4 -18,-2.5 42,-0.3 2,-0.4 -0.966 44.9 -98.2-170.3-175.2 -6.7 15.6 9.6 81 82 A L E -EF 61 121A 81 40,-2.1 40,-2.6 -2,-0.3 2,-0.5 -0.978 30.4-118.0-125.1 137.4 -8.4 15.9 13.0 82 83 A V E + F 0 120A 21 -22,-2.7 38,-0.3 -2,-0.4 3,-0.1 -0.617 37.0 170.8 -68.4 121.4 -6.8 16.5 16.4 83 84 A E E + 0 0 96 36,-2.9 2,-0.3 -2,-0.5 37,-0.2 0.543 58.6 18.8-112.4 -12.6 -7.9 13.4 18.4 84 85 A D E - 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