==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-SEP-04 1XJS . COMPND 2 MOLECULE: NIFU-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.J.KORNHABER,G.V.T.SWAPNA,T.A.RAMELOT,J.R.CORT,M.A.KENNEDY, . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 70.1 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 . 18 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 16 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 38.8 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 0 0 0 0 1 0 0 0 1 2 0 0 1 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 207 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.7 -13.0 -16.2 20.0 2 2 A S + 0 0 118 1,-0.4 2,-0.4 0, 0.0 0, 0.0 0.858 360.0 12.7 -96.0 -58.2 -16.3 -16.2 18.2 3 3 A F + 0 0 205 5,-0.0 -1,-0.4 2,-0.0 2,-0.3 -0.986 66.9 154.2-127.8 128.5 -16.6 -12.6 17.0 4 4 A N >> - 0 0 81 -2,-0.4 3,-0.6 -3,-0.1 4,-0.6 -0.938 36.4-146.7-153.1 129.1 -13.9 -10.0 17.0 5 5 A A T 34 + 0 0 62 -2,-0.3 5,-0.3 1,-0.2 -2,-0.0 0.175 68.4 114.2 -83.8 20.1 -13.6 -7.0 14.7 6 6 A N T 34 S- 0 0 107 3,-0.1 -1,-0.2 1,-0.1 112,-0.1 0.927 102.3 -19.9 -56.2 -52.8 -9.8 -7.4 14.8 7 7 A L T <> S+ 0 0 36 -3,-0.6 4,-2.9 3,-0.1 5,-0.4 0.643 131.4 65.5-126.0 -39.9 -9.4 -8.2 11.1 8 8 A D H X S+ 0 0 71 -4,-0.6 4,-1.6 1,-0.2 -3,-0.2 0.939 111.0 35.1 -56.2 -57.1 -12.8 -9.4 9.8 9 9 A T H > S+ 0 0 60 -5,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.786 116.6 58.5 -70.2 -25.4 -14.7 -6.1 10.3 10 10 A L H > S+ 0 0 36 -5,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.976 112.8 34.8 -70.0 -54.5 -11.6 -4.2 9.3 11 11 A Y H X S+ 0 0 64 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.765 111.8 65.8 -72.3 -24.2 -11.1 -5.7 5.9 12 12 A R H X S+ 0 0 95 -4,-1.6 4,-2.1 -5,-0.4 -1,-0.2 0.949 107.7 39.0 -57.0 -49.6 -14.9 -5.8 5.7 13 13 A Q H X S+ 0 0 122 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.870 112.8 58.3 -68.0 -36.9 -14.8 -2.0 5.7 14 14 A V H X S+ 0 0 18 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.928 114.0 36.1 -60.2 -45.5 -11.7 -2.0 3.5 15 15 A I H X S+ 0 0 55 -4,-3.0 4,-0.8 2,-0.2 -1,-0.2 0.833 116.2 54.4 -78.6 -31.4 -13.5 -3.9 0.7 16 16 A M H X S+ 0 0 111 -4,-2.1 4,-1.8 -5,-0.3 3,-0.4 0.902 108.2 48.7 -68.4 -40.7 -16.9 -2.3 1.3 17 17 A D H X S+ 0 0 107 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.871 109.3 54.1 -64.9 -34.5 -15.3 1.2 0.9 18 18 A H H < S+ 0 0 33 -4,-1.2 5,-0.5 -5,-0.3 -1,-0.2 0.707 107.9 50.7 -71.3 -21.3 -13.7 -0.1 -2.3 19 19 A Y H < S+ 0 0 173 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.781 101.6 58.7 -86.0 -31.2 -17.1 -1.2 -3.5 20 20 A K H < S+ 0 0 161 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.740 117.9 36.4 -67.4 -21.4 -18.6 2.3 -2.8 21 21 A N S < S- 0 0 112 -4,-0.9 2,-2.5 -5,-0.2 -1,-0.3 -0.725 86.2-163.6-128.4 80.2 -16.0 3.4 -5.2 22 22 A P + 0 0 103 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.363 42.5 123.0 -73.6 71.5 -15.8 0.6 -7.8 23 23 A R + 0 0 209 -2,-2.5 2,-0.3 -5,-0.5 3,-0.1 -0.988 24.2 130.8-134.4 125.5 -12.5 1.4 -9.4 24 24 A N + 0 0 56 -2,-0.4 38,-0.2 1,-0.3 47,-0.0 -0.957 41.6 47.2-167.2 152.4 -9.6 -1.0 -9.6 25 25 A K + 0 0 119 36,-2.3 37,-0.4 -2,-0.3 2,-0.3 0.946 63.0 141.4 72.6 94.3 -7.1 -2.4 -12.1 26 26 A G - 0 0 20 20,-0.3 2,-0.4 -3,-0.1 36,-0.3 -0.978 37.9-139.7-156.1 163.0 -5.5 0.3 -14.2 27 27 A V - 0 0 55 -2,-0.3 2,-0.6 34,-0.1 34,-0.1 -0.975 10.6-174.6-136.9 119.5 -2.2 1.2 -15.8 28 28 A L - 0 0 35 -2,-0.4 2,-0.8 32,-0.4 3,-0.3 -0.899 10.3-162.6-115.4 101.2 -0.6 4.6 -16.0 29 29 A N + 0 0 124 -2,-0.6 4,-0.1 1,-0.2 21,-0.1 -0.750 52.9 92.6 -87.2 108.8 2.6 4.6 -18.1 30 30 A D S S- 0 0 91 -2,-0.8 -1,-0.2 19,-0.3 20,-0.1 0.178 92.4 -14.1-153.0 -72.9 4.5 7.8 -17.3 31 31 A S S S+ 0 0 54 18,-1.0 2,-0.5 1,-0.3 19,-0.2 0.777 118.4 26.5-113.9 -71.9 7.1 7.9 -14.6 32 32 A I E +A 49 0A 37 17,-1.2 17,-1.9 -4,-0.1 2,-0.5 -0.876 55.0 178.9-108.2 127.3 7.2 5.0 -12.1 33 33 A V E +A 48 0A 59 -2,-0.5 2,-0.5 15,-0.2 15,-0.2 -0.930 12.0 160.5-126.4 104.9 5.9 1.5 -13.0 34 34 A V E +A 47 0A 23 13,-2.9 13,-2.9 -2,-0.5 2,-0.3 -0.962 10.0 179.4-130.0 114.3 6.2 -1.1 -10.3 35 35 A D E -A 46 0A 71 -2,-0.5 2,-0.4 11,-0.3 11,-0.3 -0.853 8.3-162.5-113.9 154.1 4.2 -4.3 -10.2 36 36 A M E -A 45 0A 70 9,-2.1 9,-2.8 -2,-0.3 2,-0.3 -0.991 5.8-166.2-140.8 123.4 4.2 -7.1 -7.7 37 37 A N E -A 44 0A 47 -2,-0.4 7,-0.3 7,-0.2 3,-0.0 -0.792 18.8-156.9-109.7 152.0 2.9 -10.7 -8.2 38 38 A N E >>> -A 43 0A 8 5,-3.0 4,-3.9 -2,-0.3 3,-0.7 -0.783 14.9-176.2-122.0 83.1 2.2 -13.5 -5.8 39 39 A P T 345S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.536 81.1 55.3 -63.8 -6.7 2.4 -16.5 -8.2 40 40 A T T 345S+ 0 0 110 3,-0.1 -2,-0.0 87,-0.0 -3,-0.0 0.855 121.1 24.9 -86.1 -43.2 1.4 -18.8 -5.4 41 41 A C T <45S- 0 0 62 -3,-0.7 87,-0.0 2,-0.1 83,-0.0 0.705 106.4-115.8 -99.8 -24.9 -1.8 -17.0 -4.5 42 42 A G T <5 + 0 0 47 -4,-3.9 2,-0.1 1,-0.3 22,-0.0 0.440 62.3 144.9 106.7 0.0 -2.6 -15.3 -7.8 43 43 A D E < +A 38 0A 2 -5,-0.7 -5,-3.0 22,-0.1 -1,-0.3 -0.417 20.0 175.4 -70.5 145.8 -2.3 -11.7 -6.7 44 44 A R E -AB 37 64A 127 20,-3.2 20,-3.1 -7,-0.3 2,-0.6 -0.848 5.6-177.9-154.1 114.2 -0.9 -9.2 -9.1 45 45 A I E -AB 36 63A 3 -9,-2.8 -9,-2.1 -2,-0.3 2,-0.8 -0.938 7.6-166.8-122.4 110.2 -0.7 -5.4 -8.5 46 46 A R E -AB 35 62A 63 16,-2.2 16,-3.0 -2,-0.6 2,-0.8 -0.858 9.2-164.0 -94.4 109.5 0.7 -3.1 -11.1 47 47 A L E +AB 34 61A 7 -13,-2.9 -13,-2.9 -2,-0.8 2,-0.6 -0.833 12.6 174.4 -99.5 104.4 1.4 0.2 -9.5 48 48 A T E +AB 33 60A 0 12,-2.9 12,-2.7 -2,-0.8 2,-0.2 -0.911 10.0 175.2-115.7 103.6 1.8 2.9 -12.1 49 49 A M E -AB 32 59A 2 -17,-1.9 -17,-1.2 -2,-0.6 -18,-1.0 -0.645 25.7-145.2-107.8 163.5 2.1 6.4 -10.6 50 50 A K E + B 0 58A 73 8,-2.8 7,-2.7 -2,-0.2 8,-1.5 -0.895 15.0 179.9-130.0 100.5 2.8 9.8 -12.0 51 51 A L - 0 0 50 -2,-0.4 2,-0.9 5,-0.3 5,-0.2 -0.884 5.7-177.9 -99.3 105.3 4.8 12.0 -9.8 52 52 A D - 0 0 108 -2,-0.8 2,-0.4 -21,-0.0 4,-0.1 -0.660 66.8 -14.9-109.7 72.5 5.1 15.3 -11.8 53 53 A G S S- 0 0 67 -2,-0.9 -2,-0.1 2,-0.2 3,-0.0 -0.852 123.9 -35.0 144.1-101.2 7.3 17.5 -9.6 54 54 A D S S+ 0 0 114 -2,-0.4 31,-1.9 31,-0.0 32,-0.5 0.043 121.3 60.0-142.7 20.5 7.9 16.6 -6.0 55 55 A I B S-C 84 0B 39 29,-0.3 2,-0.4 30,-0.1 29,-0.3 -0.405 89.9 -92.2-127.4-162.6 4.5 15.1 -5.3 56 56 A V + 0 0 5 27,-1.7 -5,-0.3 -5,-0.2 27,-0.1 -0.987 33.7 176.9-123.8 117.7 2.2 12.4 -6.5 57 57 A E - 0 0 100 -7,-2.7 2,-0.3 -2,-0.4 -6,-0.2 0.914 64.2 -16.9 -86.1 -49.0 -0.2 13.4 -9.2 58 58 A D E -B 50 0A 37 -8,-1.5 -8,-2.8 -30,-0.0 -1,-0.3 -0.926 51.9-159.6-150.9 174.8 -1.8 10.1 -9.9 59 59 A A E -B 49 0A 5 -10,-0.3 2,-0.5 -2,-0.3 -10,-0.3 -0.934 5.0-158.0-162.0 131.5 -1.6 6.3 -9.5 60 60 A K E -B 48 0A 77 -12,-2.7 -12,-2.9 -2,-0.3 2,-0.8 -0.969 8.9-162.8-121.8 119.0 -3.1 3.4 -11.2 61 61 A F E -B 47 0A 36 -2,-0.5 -36,-2.3 -14,-0.2 2,-1.8 -0.856 8.7-169.1-106.4 99.4 -3.3 0.1 -9.4 62 62 A E E +B 46 0A 36 -16,-3.0 -16,-2.2 -2,-0.8 2,-0.7 -0.660 28.4 170.8 -81.3 79.4 -3.9 -2.9 -11.5 63 63 A G E +B 45 0A 1 -2,-1.8 2,-0.3 -18,-0.3 -18,-0.3 -0.873 8.8 166.5-104.2 114.7 -4.5 -5.1 -8.5 64 64 A E E +B 44 0A 105 -20,-3.1 -20,-3.2 -2,-0.7 2,-0.4 -0.892 35.4 64.1-121.0 150.8 -5.8 -8.6 -9.0 65 65 A G S S- 0 0 31 -2,-0.3 2,-0.1 -22,-0.3 -22,-0.1 -0.986 83.6 -8.5 145.4-132.5 -5.9 -11.3 -6.4 66 66 A C S > S- 0 0 47 -2,-0.4 4,-1.4 1,-0.0 5,-0.3 -0.356 75.1 -85.6-101.6-175.7 -7.8 -11.8 -3.2 67 67 A S H > S+ 0 0 59 1,-0.2 4,-0.6 2,-0.2 5,-0.1 0.840 119.8 40.7 -61.5 -40.8 -9.9 -9.5 -1.0 68 68 A I H > S+ 0 0 30 3,-0.2 4,-3.4 2,-0.2 5,-0.3 0.924 110.5 52.5 -79.6 -42.9 -7.1 -7.8 1.0 69 69 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.929 112.2 41.4 -65.5 -52.3 -4.3 -7.3 -1.6 70 70 A M H X S+ 0 0 30 -4,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.753 121.0 46.5 -68.4 -22.4 -6.3 -5.4 -4.3 71 71 A A H X S+ 0 0 2 -4,-0.6 4,-1.9 -5,-0.3 -2,-0.2 0.923 109.6 49.1 -85.3 -48.6 -8.0 -3.4 -1.6 72 72 A S H X S+ 0 0 6 -4,-3.4 4,-3.0 1,-0.2 5,-0.3 0.922 111.7 50.1 -59.2 -46.8 -5.1 -2.4 0.7 73 73 A A H X S+ 0 0 10 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.923 110.6 50.1 -57.2 -46.0 -3.1 -1.2 -2.3 74 74 A S H X S+ 0 0 9 -4,-0.8 4,-0.8 -5,-0.2 -1,-0.2 0.850 113.3 46.8 -61.3 -34.3 -6.0 0.9 -3.5 75 75 A M H X S+ 0 0 74 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.924 115.7 42.3 -78.2 -43.7 -6.4 2.4 -0.1 76 76 A M H X S+ 0 0 26 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.837 113.2 52.8 -73.7 -32.1 -2.8 3.2 0.5 77 77 A T H X S+ 0 0 2 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.726 102.8 60.1 -74.6 -20.0 -2.3 4.5 -3.0 78 78 A Q H < S+ 0 0 131 -4,-0.8 4,-0.4 -5,-0.2 -1,-0.2 0.884 107.8 44.0 -72.0 -38.4 -5.3 6.8 -2.5 79 79 A A H < S+ 0 0 26 -4,-1.2 3,-0.4 2,-0.2 -2,-0.2 0.840 115.2 49.7 -71.3 -34.1 -3.4 8.4 0.4 80 80 A I H >< S+ 0 0 6 -4,-1.6 3,-2.2 1,-0.2 -2,-0.2 0.903 101.9 60.6 -72.0 -41.1 -0.3 8.4 -1.8 81 81 A K T 3< S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.709 109.4 45.6 -57.3 -19.0 -2.2 10.0 -4.7 82 82 A G T 3 S+ 0 0 63 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.061 108.4 69.7-114.5 25.6 -2.9 12.9 -2.3 83 83 A K S < S- 0 0 79 -3,-2.2 -27,-1.7 -27,-0.1 2,-0.2 -0.490 70.8-119.6-127.6-168.6 0.6 13.3 -0.9 84 84 A D B > -C 55 0B 64 -29,-0.3 4,-0.8 -2,-0.2 -29,-0.3 -0.484 37.6 -99.0-120.1-166.0 4.1 14.3 -1.8 85 85 A I H > S+ 0 0 29 -31,-1.9 4,-3.0 -2,-0.2 5,-0.2 0.863 121.6 51.5 -87.3 -38.4 7.4 12.5 -1.8 86 86 A E H > S+ 0 0 131 -32,-0.5 4,-2.4 1,-0.2 5,-0.2 0.947 113.7 44.2 -59.4 -49.8 8.5 13.8 1.6 87 87 A T H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.835 114.7 49.8 -67.5 -32.6 5.2 12.8 3.2 88 88 A A H X S+ 0 0 4 -4,-0.8 4,-1.6 2,-0.2 55,-0.2 0.912 112.3 46.7 -70.7 -43.6 5.3 9.4 1.4 89 89 A L H X S+ 0 0 25 -4,-3.0 4,-2.1 2,-0.2 54,-1.4 0.861 114.4 48.6 -65.8 -36.2 8.8 8.8 2.6 90 90 A S H X S+ 0 0 65 -4,-2.4 4,-3.1 -5,-0.2 5,-0.4 0.928 108.0 53.8 -68.1 -45.5 7.9 9.9 6.1 91 91 A M H X S+ 0 0 45 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.840 116.6 38.8 -58.1 -35.2 4.8 7.7 6.1 92 92 A S H X S+ 0 0 13 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.778 111.0 58.4 -87.7 -30.3 6.9 4.7 5.2 93 93 A K H X S+ 0 0 94 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.949 115.7 36.2 -61.8 -48.2 9.8 5.8 7.5 94 94 A I H X S+ 0 0 31 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.847 111.6 63.1 -71.7 -32.3 7.4 5.7 10.4 95 95 A F H < S+ 0 0 33 -4,-1.2 4,-0.3 -5,-0.4 -2,-0.2 0.923 113.8 33.3 -57.2 -45.0 5.7 2.7 8.8 96 96 A S H >< S+ 0 0 7 -4,-2.6 3,-1.2 1,-0.2 4,-0.4 0.838 113.4 61.4 -78.0 -34.0 9.0 0.7 9.2 97 97 A D H >X S+ 0 0 75 -4,-2.1 4,-2.5 1,-0.3 3,-1.5 0.821 90.9 69.0 -64.2 -31.0 10.0 2.5 12.4 98 98 A M H 3X S+ 0 0 15 -4,-2.3 4,-1.5 1,-0.3 -1,-0.3 0.825 94.0 57.8 -53.8 -32.9 6.8 1.2 14.1 99 99 A M H <4 S+ 0 0 135 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.704 110.9 41.1 -76.7 -18.9 8.4 -2.3 14.0 100 100 A Q H <4 S+ 0 0 120 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.819 121.1 40.4 -96.2 -38.9 11.4 -1.1 15.9 101 101 A G H < S- 0 0 30 -4,-2.5 -2,-0.2 3,-0.1 -3,-0.2 0.996 109.1-111.2 -70.4 -67.8 9.7 1.0 18.5 102 102 A K < - 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