==== 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 2X2O . 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) . 6440.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 19.7 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 . 3 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 12.0 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 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 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 67 0, 0.0 2,-0.3 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 141.4 -24.0 5.1 -7.3 2 2 A L E -a 36 0A 24 33,-0.8 35,-2.3 19,-0.1 2,-0.5 -0.538 360.0-155.2 -77.5 134.2 -23.2 4.3 -3.7 3 3 A V E -ab 37 23A 0 19,-2.2 21,-2.4 -2,-0.3 2,-0.4 -0.957 4.9-165.0-107.4 122.4 -19.5 4.3 -2.6 4 4 A A E +ab 38 24A 0 33,-2.6 35,-2.5 -2,-0.5 2,-0.3 -0.885 21.0 170.9-101.8 141.9 -18.5 2.2 0.4 5 5 A Y E -ab 39 25A 16 19,-2.2 21,-2.8 -2,-0.4 2,-0.3 -0.962 27.1-156.6-146.5 163.6 -15.1 3.0 1.9 6 6 A D + 0 0 7 33,-1.4 2,-0.3 -2,-0.3 6,-0.1 -0.977 13.0 177.1-138.8 154.1 -12.6 2.4 4.7 7 7 A S - 0 0 21 -2,-0.3 -2,-0.0 5,-0.1 33,-0.0 -0.936 14.9-177.8-155.6 127.6 -9.8 4.6 5.9 8 8 A M S S+ 0 0 141 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 0.845 92.4 22.2 -95.0 -44.4 -7.3 4.2 8.8 9 9 A T S S- 0 0 119 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.277 113.2-102.8-113.0 11.1 -5.2 7.4 8.6 10 10 A G S > S+ 0 0 31 4,-0.0 4,-2.3 1,-0.0 5,-0.1 0.307 88.4 112.4 96.6 -3.9 -7.7 9.5 6.6 11 11 A N H > S+ 0 0 58 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.955 85.1 41.8 -69.2 -47.9 -6.4 9.5 3.0 12 12 A V H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.916 113.2 55.6 -62.1 -39.5 -9.3 7.5 1.5 13 13 A K H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.936 107.3 49.1 -61.5 -41.7 -11.7 9.5 3.6 14 14 A R H X S+ 0 0 165 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.942 110.7 51.6 -59.2 -46.4 -10.3 12.7 2.1 15 15 A F H >X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 3,-0.6 0.941 107.5 50.6 -56.3 -48.3 -10.7 11.2 -1.4 16 16 A I H >X>S+ 0 0 11 -4,-2.9 3,-0.9 1,-0.3 4,-0.7 0.881 105.0 56.8 -69.2 -27.4 -14.3 10.2 -1.0 17 17 A H H ><5S+ 0 0 114 -4,-1.8 3,-0.6 1,-0.2 -1,-0.3 0.880 102.1 58.0 -68.6 -26.8 -15.2 13.8 0.3 18 18 A K H <<5S+ 0 0 61 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.735 98.2 62.5 -71.6 -19.5 -13.8 15.1 -3.0 19 19 A L H <<5S- 0 0 1 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.798 84.9-150.8 -74.5 -31.1 -16.3 12.9 -5.0 20 20 A N T <<5 + 0 0 150 -4,-0.7 -3,-0.1 -3,-0.6 -2,-0.1 0.788 52.8 130.9 58.1 31.7 -19.5 14.5 -3.7 21 21 A M S > -E 47 0B 50 4,-2.2 4,-1.8 -2,-0.4 3,-0.8 -0.454 49.2 -48.8 -94.9 171.2 -1.8 -2.6 3.9 44 44 A G T 34 S+ 0 0 34 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 -0.033 123.0 12.8 -48.4 133.0 1.8 -3.9 3.9 45 45 A F T 34 S- 0 0 148 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.810 133.8 -57.8 71.0 36.9 2.8 -6.2 1.0 46 46 A G T <4 S+ 0 0 1 -3,-0.8 38,-0.2 1,-0.2 -1,-0.2 0.698 94.4 151.6 78.8 24.9 -0.2 -5.5 -1.2 47 47 A N B < -E 43 0B 71 -4,-1.8 -4,-2.2 -3,-0.2 34,-0.3 -0.337 47.2-118.2 -98.0 165.3 -2.9 -6.6 1.2 48 48 A V - 0 0 11 -6,-0.2 -6,-0.1 33,-0.1 5,-0.1 -0.848 40.5-106.3 -95.0 131.5 -6.5 -5.8 2.0 49 49 A P >> - 0 0 4 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.332 27.5-122.5 -60.0 145.0 -7.3 -4.4 5.4 50 50 A E H 3> S+ 0 0 121 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.850 110.3 56.6 -58.5 -40.7 -9.0 -6.9 7.6 51 51 A R H 3> S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.888 110.0 47.0 -59.4 -38.7 -12.1 -4.8 8.3 52 52 A V H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.913 110.4 51.2 -68.4 -42.7 -12.6 -4.6 4.5 53 53 A L H X S+ 0 0 59 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.930 111.5 48.6 -59.2 -43.6 -12.1 -8.3 4.0 54 54 A D H X S+ 0 0 70 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.936 111.7 48.9 -60.8 -46.2 -14.7 -9.0 6.8 55 55 A F H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 3,-0.5 0.911 111.8 49.5 -60.1 -44.5 -17.2 -6.6 5.2 56 56 A L H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.860 99.7 63.2 -69.6 -33.0 -16.7 -8.2 1.7 57 57 A E H < S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.888 116.8 32.9 -56.8 -31.0 -17.2 -11.7 3.0 58 58 A R H < S+ 0 0 108 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.738 129.3 34.2 -92.3 -28.6 -20.7 -10.5 3.9 59 59 A N H >< S+ 0 0 10 -4,-1.9 3,-1.0 1,-0.2 4,-0.3 0.329 74.6 111.6-120.4 14.9 -21.4 -8.0 1.1 60 60 A N G >< + 0 0 58 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.698 63.2 73.8 -73.2 -20.5 -19.7 -9.1 -2.1 61 61 A E G 3 S+ 0 0 143 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.851 103.6 40.8 -65.6 -32.2 -22.9 -9.9 -4.2 62 62 A K G < S+ 0 0 66 -3,-1.0 -26,-2.2 -30,-0.2 2,-0.3 0.463 87.5 116.8 -92.6 1.2 -23.7 -6.2 -4.7 63 63 A L E < +c 36 0A 3 -3,-1.1 -26,-0.2 -4,-0.3 3,-0.1 -0.553 33.7 172.1 -68.4 124.7 -20.0 -5.3 -5.2 64 64 A K E - 0 0 62 -28,-2.9 2,-0.3 1,-0.4 -27,-0.2 0.438 60.6 -16.6-114.9 -2.3 -19.6 -3.9 -8.8 65 65 A G E -c 37 0A 0 -29,-0.6 -27,-2.3 26,-0.2 -1,-0.4 -0.912 56.1-132.6 172.5 163.3 -16.0 -2.6 -8.7 66 66 A V E -cd 38 93A 0 26,-2.1 28,-2.0 -2,-0.3 29,-0.6 -0.996 8.2-168.0-138.8 140.1 -13.1 -1.6 -6.5 67 67 A S E -cd 39 95A 0 -29,-2.7 -27,-2.2 -2,-0.4 2,-0.4 -0.939 14.4-152.2-116.9 147.9 -10.6 1.3 -6.3 68 68 A A E -cd 40 96A 0 27,-1.6 29,-2.3 -2,-0.3 2,-0.4 -0.980 9.2-153.1-123.6 136.3 -7.5 1.3 -4.2 69 69 A S E + d 0 97A 6 -29,-2.7 -27,-0.5 -2,-0.4 29,-0.2 -0.800 41.7 131.7 -87.2 140.0 -5.5 4.0 -2.5 70 70 A G E - d 0 98A 11 27,-2.0 29,-2.4 -2,-0.4 2,-0.3 -0.732 52.1 -92.2-158.0-147.9 -1.9 3.1 -2.1 71 71 A N > - 0 0 47 -2,-0.2 3,-2.0 27,-0.2 8,-0.1 -0.966 14.8-141.2-152.1 121.5 1.7 4.3 -2.6 72 72 A R G > S+ 0 0 134 -2,-0.3 3,-1.9 1,-0.3 6,-0.2 0.641 95.7 79.8 -63.8 -12.7 3.9 3.8 -5.7 73 73 A N G 3 S+ 0 0 126 1,-0.3 -1,-0.3 4,-0.1 3,-0.1 0.598 82.5 69.0 -70.7 -4.0 6.9 3.4 -3.4 74 74 A W G X S- 0 0 100 -3,-2.0 3,-2.3 1,-0.3 -1,-0.3 0.296 93.0-155.8 -89.6 5.5 5.5 -0.2 -3.0 75 75 A G G X S- 0 0 49 -3,-1.9 3,-1.9 1,-0.3 -1,-0.3 -0.270 70.4 -0.1 62.9-132.6 6.4 -1.0 -6.6 76 76 A D G 3 S+ 0 0 154 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.1 0.486 128.1 68.0 -77.8 5.5 4.3 -3.8 -8.1 77 77 A M G X S+ 0 0 64 -3,-2.3 3,-1.8 -6,-0.1 -1,-0.3 0.313 71.1 131.6 -94.4 4.8 2.4 -4.0 -4.8 78 78 A F T < S- 0 0 29 -3,-1.9 -6,-0.1 1,-0.3 -8,-0.1 -0.384 88.8 -15.4 -55.7 117.3 1.0 -0.6 -5.5 79 79 A G T >> S+ 0 0 0 -2,-0.3 3,-1.7 -8,-0.1 4,-0.7 0.734 87.1 149.9 62.8 22.9 -2.8 -0.8 -4.9 80 80 A A H <> + 0 0 10 -3,-1.8 4,-2.3 1,-0.3 5,-0.2 0.621 56.9 78.0 -75.3 -7.0 -2.7 -4.6 -5.0 81 81 A S H 3> S+ 0 0 0 -34,-0.3 4,-2.2 -4,-0.2 -1,-0.3 0.903 94.5 50.8 -55.0 -42.0 -5.6 -4.7 -2.6 82 82 A A H <> S+ 0 0 0 -3,-1.7 4,-2.9 2,-0.2 5,-0.2 0.889 106.6 53.9 -65.9 -40.0 -7.7 -3.9 -5.6 83 83 A D H X S+ 0 0 63 -4,-0.7 4,-2.6 2,-0.2 5,-0.2 0.930 110.0 47.1 -56.9 -46.8 -6.0 -6.8 -7.6 84 84 A K H X S+ 0 0 92 -4,-2.3 4,-2.4 -38,-0.2 -2,-0.2 0.935 115.6 43.9 -64.5 -42.8 -6.9 -9.3 -4.9 85 85 A I H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.927 114.7 49.4 -65.5 -46.8 -10.5 -8.1 -4.6 86 86 A S H X>S+ 0 0 26 -4,-2.9 4,-1.3 1,-0.2 5,-1.0 0.907 114.3 45.3 -59.8 -46.0 -11.0 -7.9 -8.4 87 87 A T H <5S+ 0 0 109 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.905 116.0 45.5 -64.7 -45.2 -9.6 -11.4 -8.9 88 88 A K H <5S+ 0 0 141 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.932 125.2 28.3 -65.2 -50.2 -11.5 -13.0 -6.1 89 89 A Y H <5S- 0 0 49 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.435 101.5-122.2 -99.1 -0.5 -14.9 -11.5 -6.8 90 90 A E T <5 + 0 0 179 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.953 65.2 132.0 58.9 53.5 -14.7 -11.0 -10.5 91 91 A V < - 0 0 16 -5,-1.0 -1,-0.2 -6,-0.2 -26,-0.2 -0.939 58.3 -97.0-128.1 151.9 -15.3 -7.3 -10.5 92 92 A P - 0 0 57 0, 0.0 -26,-2.1 0, 0.0 2,-0.9 -0.350 25.8-117.7 -71.1 154.7 -13.3 -4.6 -12.3 93 93 A I E -d 66 0A 42 -28,-0.2 -26,-0.2 1,-0.2 3,-0.1 -0.812 26.8-166.6 -82.9 107.6 -10.6 -2.4 -10.9 94 94 A V E - 0 0 0 -28,-2.0 2,-0.3 -2,-0.9 -27,-0.2 0.951 59.5 -42.5 -60.3 -50.4 -12.2 1.0 -11.3 95 95 A S E -d 67 0A 10 -29,-0.6 -27,-1.6 -3,-0.1 2,-0.3 -0.976 43.8-132.3-170.0 165.5 -8.9 2.8 -10.6 96 96 A K E +d 68 0A 62 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.982 29.3 171.0-125.8 141.1 -5.7 3.0 -8.4 97 97 A F E -d 69 0A 0 -29,-2.3 -27,-2.0 -2,-0.3 2,-0.4 -0.964 31.1-109.5-144.7 161.2 -4.5 6.3 -6.9 98 98 A E E > -d 70 0A 59 -2,-0.3 3,-2.6 -29,-0.2 -27,-0.2 -0.760 69.6 -44.1 -91.9 136.0 -1.9 7.4 -4.4 99 99 A L T 3 S- 0 0 78 -29,-2.4 -84,-0.1 -2,-0.4 -2,-0.1 -0.188 126.1 -11.1 57.7-128.7 -2.7 8.7 -0.9 100 100 A S T 3 S- 0 0 29 1,-0.1 -1,-0.3 -86,-0.1 -31,-0.0 0.424 104.7-124.9 -89.0 4.6 -5.6 11.2 -1.0 101 101 A G < - 0 0 15 -3,-2.6 2,-0.2 4,-0.1 -1,-0.1 0.278 14.9 -92.7 76.2 162.6 -5.5 11.4 -4.8 102 102 A T > - 0 0 79 1,-0.1 4,-1.8 -3,-0.1 5,-0.2 -0.571 40.1-100.9 -97.7 171.1 -5.2 14.2 -7.3 103 103 A N H > S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 125.7 53.9 -59.0 -35.3 -8.0 16.1 -9.0 104 104 A N H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.910 104.6 53.8 -67.2 -38.5 -7.5 13.9 -12.0 105 105 A D H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 108.8 50.4 -57.8 -40.6 -7.8 10.8 -9.9 106 106 A V H X S+ 0 0 12 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.957 112.9 44.7 -62.4 -49.3 -11.2 12.1 -8.7 107 107 A E H X S+ 0 0 109 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.901 112.5 51.7 -67.1 -38.7 -12.5 12.8 -12.1 108 108 A Y H X S+ 0 0 106 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.924 107.7 52.2 -61.8 -44.7 -11.3 9.5 -13.5 109 109 A F H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.938 110.9 47.6 -54.2 -50.5 -13.0 7.5 -10.7 110 110 A K H X S+ 0 0 52 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.917 111.6 49.4 -63.6 -42.6 -16.3 9.3 -11.5 111 111 A E H X S+ 0 0 111 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.924 112.6 48.1 -61.5 -40.9 -16.0 8.7 -15.2 112 112 A R H X S+ 0 0 70 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.921 110.6 50.1 -68.5 -37.4 -15.2 5.0 -14.7 113 113 A V H X S+ 0 0 5 -4,-2.7 4,-3.0 -5,-0.2 -1,-0.2 0.911 107.0 55.4 -65.0 -39.9 -18.1 4.5 -12.3 114 114 A R H < S+ 0 0 162 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.916 109.2 48.5 -58.5 -40.3 -20.5 6.1 -14.7 115 115 A E H < S+ 0 0 151 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.918 115.4 42.3 -64.2 -45.5 -19.3 3.6 -17.3 116 116 A I H < 0 0 54 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.837 360.0 360.0 -71.4 -34.8 -19.8 0.6 -15.0 117 117 A A < 0 0 90 -4,-3.0 -3,-0.0 -5,-0.2 0, 0.0 -0.120 360.0 360.0 -68.3 360.0 -23.1 1.7 -13.5