==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 15-JAN-10 2X2P . COMPND 2 MOLECULE: NRDI PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR A.K.ROHR,H.P.HERSLETH,K.K.ANDERSSON . 117 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.7 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 . 1 0.9 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 . 4 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 63 0, 0.0 2,-0.3 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 125.9 -24.1 5.1 -7.2 2 2 A L E -a 36 0A 26 33,-0.8 35,-2.4 19,-0.1 2,-0.5 -0.544 360.0-155.5 -79.0 137.1 -23.4 4.2 -3.6 3 3 A V E -ab 37 23A 1 19,-2.2 21,-2.4 -2,-0.3 2,-0.4 -0.958 3.8-163.4-111.4 122.5 -19.7 4.1 -2.5 4 4 A A E +ab 38 24A 0 33,-2.6 35,-2.6 -2,-0.5 2,-0.3 -0.867 22.2 169.9-101.9 141.1 -18.7 2.0 0.4 5 5 A Y E -ab 39 25A 17 19,-2.1 21,-2.7 -2,-0.4 2,-0.3 -0.965 28.2-158.4-148.6 162.3 -15.3 2.8 2.0 6 6 A D - 0 0 9 33,-1.3 2,-0.3 -2,-0.3 6,-0.1 -0.980 12.4-179.0-139.9 153.3 -12.8 2.3 4.8 7 7 A S - 0 0 24 -2,-0.3 -2,-0.0 5,-0.1 33,-0.0 -0.954 14.1-177.3-152.1 125.5 -9.9 4.5 5.8 8 8 A M S S+ 0 0 140 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 0.878 92.2 20.0 -90.6 -45.6 -7.3 4.0 8.6 9 9 A T S S- 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.251 113.3-100.7-113.4 9.2 -5.3 7.2 8.4 10 10 A G S > S+ 0 0 32 4,-0.0 4,-2.4 3,-0.0 5,-0.2 0.330 89.4 110.5 101.6 -10.9 -7.8 9.4 6.5 11 11 A N H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.955 85.6 42.5 -68.2 -48.4 -6.6 9.4 2.9 12 12 A V H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 114.0 54.2 -61.0 -41.1 -9.5 7.3 1.5 13 13 A K H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.933 107.8 49.3 -60.7 -41.0 -11.9 9.4 3.7 14 14 A R H X S+ 0 0 161 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.940 110.7 51.3 -62.2 -46.1 -10.6 12.6 2.2 15 15 A F H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.3 0.939 107.5 51.1 -56.3 -48.3 -11.0 11.2 -1.4 16 16 A I H >X>S+ 0 0 11 -4,-2.8 4,-0.8 1,-0.2 3,-0.6 0.884 105.9 56.0 -67.6 -29.3 -14.6 10.1 -0.8 17 17 A H H ><5S+ 0 0 112 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.874 103.8 55.0 -68.3 -28.3 -15.5 13.6 0.5 18 18 A K H 3<5S+ 0 0 61 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.755 100.2 62.5 -70.5 -22.5 -14.1 15.1 -2.8 19 19 A L H <<5S- 0 0 1 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.805 84.7-152.8 -71.8 -32.7 -16.5 12.8 -4.8 20 20 A N T <<5 + 0 0 146 -4,-0.8 -3,-0.1 -3,-0.6 -2,-0.1 0.781 50.6 131.7 58.5 30.9 -19.7 14.3 -3.4 21 21 A M S -E 47 0B 66 4,-2.5 4,-2.5 -2,-0.4 27,-0.0 -0.882 45.8 -12.3-128.3 161.1 -2.1 -2.5 3.9 44 44 A G T 4 S- 0 0 42 -2,-0.3 2,-1.3 1,-0.2 -2,-0.0 -0.267 124.8 -8.3 52.4-135.3 1.0 -4.5 4.7 45 45 A F T 4 S- 0 0 161 1,-0.2 -1,-0.2 35,-0.0 -2,-0.0 -0.639 129.8 -49.2 -98.2 76.8 2.5 -6.4 1.7 46 46 A G T 4 S+ 0 0 2 -2,-1.3 38,-0.2 1,-0.2 -2,-0.2 0.679 99.6 149.9 78.2 17.8 -0.1 -5.7 -0.9 47 47 A N B < -E 43 0B 76 -4,-2.5 -4,-2.5 1,-0.1 34,-0.3 -0.409 52.8-118.6 -99.2 156.0 -3.1 -6.7 1.2 48 48 A V - 0 0 11 -6,-0.2 -6,-0.1 -2,-0.1 5,-0.1 -0.760 47.2-104.9 -75.9 130.7 -6.7 -6.0 1.6 49 49 A P >> - 0 0 4 0, 0.0 4,-2.4 0, 0.0 3,-0.6 -0.298 26.8-120.8 -61.4 144.9 -7.4 -4.6 5.2 50 50 A E H 3> S+ 0 0 123 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.866 111.4 55.8 -57.1 -40.6 -9.1 -7.1 7.4 51 51 A R H 3> S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.876 109.6 47.4 -61.9 -38.4 -12.1 -5.0 8.1 52 52 A V H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.907 110.7 51.4 -67.9 -42.4 -12.7 -4.7 4.3 53 53 A L H X S+ 0 0 62 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.910 110.9 49.1 -58.8 -41.2 -12.2 -8.5 3.9 54 54 A D H X S+ 0 0 64 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.926 111.5 48.7 -64.5 -44.8 -14.8 -9.1 6.6 55 55 A F H >X S+ 0 0 3 -4,-2.2 4,-1.9 -5,-0.2 3,-0.6 0.945 111.0 49.7 -60.0 -46.9 -17.2 -6.7 5.1 56 56 A L H 3X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.3 -1,-0.2 0.848 100.8 63.4 -67.0 -33.0 -16.9 -8.3 1.6 57 57 A E H 3< S+ 0 0 152 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.903 116.4 31.7 -53.6 -37.3 -17.4 -11.8 3.0 58 58 A R H << S+ 0 0 105 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.743 129.4 33.3 -89.2 -26.5 -20.9 -10.6 4.0 59 59 A N H >< S+ 0 0 11 -4,-1.9 3,-0.6 1,-0.1 4,-0.2 -0.058 73.3 111.8-126.2 28.3 -21.7 -8.0 1.2 60 60 A N G >< + 0 0 62 -4,-0.9 3,-1.2 1,-0.2 -1,-0.1 0.722 57.3 84.5 -83.1 -12.1 -20.2 -9.1 -2.0 61 61 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.849 100.8 34.2 -54.9 -41.5 -23.5 -9.9 -3.8 62 62 A K G < S+ 0 0 60 -3,-0.6 -26,-2.1 -30,-0.2 2,-0.3 0.336 85.1 127.1-103.1 10.3 -24.0 -6.3 -4.9 63 63 A L E < +c 36 0A 3 -3,-1.2 -26,-0.2 -4,-0.2 3,-0.1 -0.488 27.4 173.3 -65.0 123.7 -20.3 -5.3 -5.4 64 64 A K E - 0 0 71 -28,-3.0 2,-0.3 1,-0.4 -27,-0.2 0.492 59.0 -19.3-114.4 -4.7 -19.9 -3.8 -8.9 65 65 A G E -c 37 0A 0 -29,-0.6 -27,-2.3 26,-0.2 -1,-0.4 -0.919 55.0-130.7 170.8 164.7 -16.3 -2.6 -8.8 66 66 A V E -cd 38 93A 0 26,-2.1 28,-2.3 -2,-0.3 29,-0.7 -0.996 9.1-169.4-139.2 140.3 -13.4 -1.6 -6.6 67 67 A S E -cd 39 95A 0 -29,-2.5 -27,-2.2 -2,-0.4 2,-0.4 -0.949 14.8-152.2-115.7 148.0 -10.9 1.3 -6.4 68 68 A A E -cd 40 96A 0 27,-1.6 29,-2.4 -2,-0.3 2,-0.4 -0.982 9.6-150.1-124.0 136.5 -7.8 1.3 -4.3 69 69 A S E +cd 41 97A 5 -29,-2.5 -27,-0.6 -2,-0.4 29,-0.2 -0.800 43.0 131.3 -81.5 139.2 -5.8 4.1 -2.6 70 70 A G E - d 0 98A 12 27,-2.1 29,-2.6 -2,-0.4 2,-0.3 -0.733 51.1 -93.0-161.0-150.7 -2.1 3.2 -2.4 71 71 A N > - 0 0 45 -2,-0.2 3,-2.1 27,-0.2 8,-0.1 -0.957 15.1-139.2-152.2 124.9 1.4 4.5 -3.0 72 72 A R G > S+ 0 0 129 -2,-0.3 3,-2.1 1,-0.3 6,-0.2 0.628 96.4 80.1 -63.4 -13.8 3.6 4.0 -6.0 73 73 A N G 3 S+ 0 0 127 1,-0.3 -1,-0.3 4,-0.1 3,-0.1 0.623 82.3 68.4 -70.4 -6.3 6.6 3.5 -3.8 74 74 A W G X S- 0 0 99 -3,-2.1 3,-2.4 1,-0.3 -1,-0.3 0.386 90.2-161.3 -87.4 5.2 5.2 -0.1 -3.5 75 75 A G G X S+ 0 0 48 -3,-2.1 3,-2.0 1,-0.3 -1,-0.3 -0.265 71.5 4.5 57.3-126.0 6.0 -0.7 -7.2 76 76 A D G 3 S+ 0 0 158 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.1 0.522 128.1 65.3 -77.8 0.5 4.1 -3.6 -8.6 77 77 A M G X S+ 0 0 70 -3,-2.4 3,-2.1 -6,-0.1 -1,-0.3 0.305 71.7 134.7 -92.1 3.9 2.2 -3.9 -5.3 78 78 A F T < S- 0 0 32 -3,-2.0 -6,-0.1 1,-0.3 -8,-0.1 -0.402 86.9 -12.2 -55.8 118.0 0.6 -0.4 -6.0 79 79 A G T >> S+ 0 0 1 -2,-0.2 3,-1.5 -8,-0.1 4,-1.0 0.753 85.5 155.3 62.7 25.9 -3.1 -0.7 -5.2 80 80 A A H <> + 0 0 8 -3,-2.1 4,-2.3 1,-0.3 5,-0.2 0.732 60.6 72.2 -65.7 -18.1 -2.8 -4.5 -5.0 81 81 A S H 3> S+ 0 0 0 -34,-0.3 4,-2.1 -4,-0.2 -1,-0.3 0.904 98.0 50.3 -56.3 -41.1 -5.9 -4.7 -2.7 82 82 A A H <> S+ 0 0 0 -3,-1.5 4,-2.9 2,-0.2 5,-0.3 0.896 107.7 52.9 -65.3 -40.6 -7.9 -3.8 -5.8 83 83 A D H X S+ 0 0 65 -4,-1.0 4,-2.3 1,-0.2 5,-0.2 0.941 110.7 47.5 -59.5 -43.8 -6.2 -6.6 -7.9 84 84 A K H X S+ 0 0 93 -4,-2.3 4,-2.3 -38,-0.2 5,-0.2 0.922 115.4 43.5 -63.3 -46.4 -7.1 -9.1 -5.2 85 85 A I H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.924 114.6 49.8 -68.6 -44.5 -10.8 -8.0 -4.9 86 86 A S H X>S+ 0 0 26 -4,-2.9 4,-1.0 -5,-0.2 5,-1.0 0.917 113.9 45.3 -58.0 -46.2 -11.2 -7.8 -8.7 87 87 A T H <5S+ 0 0 110 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.914 117.2 43.6 -67.4 -42.9 -9.8 -11.2 -9.3 88 88 A K H <5S+ 0 0 143 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.944 125.2 29.6 -69.7 -48.4 -11.7 -12.9 -6.5 89 89 A Y H <5S- 0 0 47 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.449 102.0-124.3 -95.8 -2.1 -15.2 -11.4 -7.0 90 90 A E T <5 + 0 0 177 -4,-1.0 -3,-0.2 -5,-0.3 -4,-0.1 0.959 64.2 132.7 57.0 54.2 -14.8 -10.9 -10.8 91 91 A V < - 0 0 16 -5,-1.0 -1,-0.2 -6,-0.2 -26,-0.2 -0.927 58.2 -95.1-128.4 154.8 -15.6 -7.1 -10.7 92 92 A P - 0 0 56 0, 0.0 -26,-2.1 0, 0.0 2,-0.9 -0.341 25.9-117.5 -71.8 153.9 -13.6 -4.4 -12.5 93 93 A I E -d 66 0A 41 -28,-0.2 -26,-0.2 1,-0.2 3,-0.1 -0.818 27.2-167.5 -81.3 105.1 -10.9 -2.2 -11.0 94 94 A V E - 0 0 0 -28,-2.3 2,-0.3 -2,-0.9 -27,-0.2 0.959 60.1 -41.5 -58.9 -51.0 -12.5 1.2 -11.3 95 95 A S E -d 67 0A 8 -29,-0.7 -27,-1.6 -3,-0.1 2,-0.4 -0.977 43.3-134.9-168.0 164.1 -9.3 3.0 -10.6 96 96 A K E +d 68 0A 59 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.985 29.5 171.9-123.9 141.7 -6.1 3.2 -8.5 97 97 A F E -d 69 0A 0 -29,-2.4 -27,-2.1 -2,-0.4 2,-0.4 -0.977 30.9-108.7-143.7 159.5 -4.9 6.4 -7.0 98 98 A E E > S-d 70 0A 58 -2,-0.3 3,-2.6 -29,-0.2 -27,-0.2 -0.738 70.2 -43.6 -91.1 135.7 -2.2 7.5 -4.6 99 99 A L T 3 S- 0 0 80 -29,-2.6 -84,-0.1 -2,-0.4 -2,-0.1 -0.244 125.8 -12.1 58.8-129.2 -2.9 8.7 -1.1 100 100 A S T 3 S- 0 0 27 1,-0.2 -1,-0.3 -86,-0.1 -2,-0.0 0.408 105.0-122.3 -87.8 3.1 -5.9 11.1 -1.0 101 101 A G < - 0 0 13 -3,-2.6 2,-0.2 4,-0.1 -1,-0.2 0.292 15.3 -94.5 81.4 154.1 -5.9 11.5 -4.8 102 102 A T > - 0 0 78 1,-0.1 4,-1.8 -3,-0.1 5,-0.1 -0.531 40.1-101.1 -94.5 171.1 -5.6 14.3 -7.2 103 103 A N H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 125.9 54.7 -60.9 -36.2 -8.4 16.2 -8.9 104 104 A N H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.910 104.8 52.9 -62.1 -38.3 -7.9 14.2 -12.0 105 105 A D H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.862 108.7 51.0 -62.2 -39.3 -8.2 11.0 -9.9 106 106 A V H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.962 112.9 44.0 -62.6 -50.2 -11.6 12.2 -8.6 107 107 A E H X S+ 0 0 104 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.902 111.9 53.1 -66.6 -38.8 -12.9 13.0 -12.0 108 108 A Y H X S+ 0 0 101 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.917 106.7 53.1 -62.0 -44.9 -11.7 9.7 -13.5 109 109 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.945 111.0 46.4 -53.3 -50.3 -13.4 7.7 -10.8 110 110 A K H X S+ 0 0 60 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.903 112.5 49.5 -63.6 -40.7 -16.7 9.4 -11.5 111 111 A E H X S+ 0 0 108 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.910 112.2 48.6 -63.4 -41.9 -16.4 8.9 -15.2 112 112 A R H X S+ 0 0 67 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.892 109.2 51.5 -66.1 -42.4 -15.5 5.3 -14.8 113 113 A V H X S+ 0 0 5 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.912 106.2 55.5 -59.9 -39.9 -18.5 4.6 -12.4 114 114 A R H < S+ 0 0 171 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 110.0 47.2 -62.7 -30.7 -20.8 6.2 -15.0 115 115 A E H < S+ 0 0 145 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.821 118.0 40.1 -74.3 -37.0 -19.5 3.7 -17.6 116 116 A I H < 0 0 48 -4,-1.8 -2,-0.2 -5,-0.1 -3,-0.2 0.877 360.0 360.0 -83.0 -39.9 -19.8 0.7 -15.2 117 117 A A < 0 0 87 -4,-3.2 -81,-0.0 -5,-0.2 -3,-0.0 0.024 360.0 360.0 -55.1 360.0 -23.1 1.4 -13.6