==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 10-MAY-12 4F4H . COMPND 2 MOLECULE: GLUTAMINE DEPENDENT NAD+ SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA THAILANDENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1082 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 756 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 76 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 9.5 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 70 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 338 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 5 1 4 0 2 0 1 3 0 4 4 0 2 2 2 1 1 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 6 4 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 . 4 2 4 4 0 2 1 3 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 4 2 0 0 4 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 K 0 0 77 0, 0.0 2,-0.5 0, 0.0 254,-0.2 0.000 360.0 360.0 360.0 146.0 51.0 -13.4 89.3 2 3 A T E -A 254 0A 2 252,-2.7 252,-2.4 254,-0.2 2,-0.5 -0.846 360.0-152.5 -91.6 130.6 47.3 -12.8 88.9 3 4 A R E -A 253 0A 72 -2,-0.5 33,-2.7 31,-0.3 34,-1.2 -0.937 12.6-169.4-107.4 120.9 46.5 -11.2 85.5 4 5 A I E -Ab 252 37A 0 248,-2.9 248,-2.4 -2,-0.5 2,-0.5 -0.956 12.2-147.2-117.3 127.1 43.4 -9.0 85.5 5 6 A A E -Ab 251 38A 0 32,-3.2 34,-2.4 -2,-0.5 2,-0.7 -0.844 6.2-153.0 -92.5 125.3 41.7 -7.7 82.3 6 7 A L E -Ab 250 39A 1 244,-3.0 244,-1.4 -2,-0.5 2,-1.1 -0.882 10.4-157.1 -96.7 110.6 40.1 -4.2 82.7 7 8 A A E -A 249 0A 0 32,-2.5 2,-1.4 -2,-0.7 242,-0.2 -0.747 8.9-171.8 -96.0 95.6 37.3 -4.2 80.1 8 9 A Q E -A 248 0A 0 240,-2.2 240,-1.8 -2,-1.1 2,-0.3 -0.670 26.5-177.5 -88.4 84.7 36.6 -0.5 79.4 9 10 A L - 0 0 9 -2,-1.4 208,-1.6 238,-0.2 2,-0.8 -0.683 35.9-143.6-100.2 146.5 33.5 -1.2 77.2 10 11 A N + 0 0 30 -2,-0.3 208,-0.1 206,-0.2 2,-0.1 -0.814 35.6 173.5-104.5 85.2 31.1 1.0 75.3 11 12 A V - 0 0 6 -2,-0.8 2,-0.4 206,-0.3 37,-0.2 -0.413 25.4-126.4 -85.3 166.4 27.8 -0.8 75.8 12 13 A T > - 0 0 16 3,-0.3 3,-2.1 32,-0.2 7,-0.2 -0.974 26.7-103.8-121.4 130.5 24.4 0.5 74.7 13 14 A V T 3 S+ 0 0 1 -2,-0.4 523,-2.4 1,-0.3 34,-0.3 -0.262 105.5 2.8 -49.9 125.6 21.3 1.0 76.9 14 15 A G T 3 S+ 0 0 3 32,-2.9 2,-1.9 521,-0.2 524,-0.4 0.266 93.5 122.8 84.0 -12.9 18.9 -1.8 76.2 15 16 A D <> + 0 0 27 -3,-2.1 4,-3.1 31,-0.2 5,-0.3 -0.478 25.0 160.6 -87.9 68.5 21.1 -3.7 73.7 16 17 A F H > S+ 0 0 23 -2,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.926 73.4 47.3 -56.2 -49.4 21.2 -7.0 75.5 17 18 A A H > S+ 0 0 81 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 117.1 42.0 -57.6 -49.7 22.4 -8.9 72.4 18 19 A G H > S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.860 113.2 52.2 -70.4 -34.2 25.1 -6.5 71.5 19 20 A N H X S+ 0 0 3 -4,-3.1 4,-2.3 2,-0.2 5,-0.2 0.915 108.9 50.8 -67.2 -41.9 26.3 -6.0 75.0 20 21 A V H X S+ 0 0 6 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.945 109.5 51.3 -56.8 -47.8 26.6 -9.7 75.4 21 22 A A H X S+ 0 0 57 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.893 110.7 49.0 -57.4 -40.7 28.7 -9.8 72.2 22 23 A K H X S+ 0 0 25 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.882 112.0 47.4 -66.0 -43.6 31.0 -7.0 73.4 23 24 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.931 112.5 49.4 -66.5 -41.7 31.6 -8.8 76.8 24 25 A V H X S+ 0 0 25 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.910 110.5 51.1 -64.5 -40.7 32.3 -12.1 75.1 25 26 A A H X S+ 0 0 60 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.918 111.2 47.8 -59.9 -44.6 34.7 -10.4 72.7 26 27 A A H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.921 110.2 52.5 -62.5 -40.8 36.5 -8.8 75.6 27 28 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.887 107.2 52.4 -62.2 -41.1 36.6 -12.2 77.4 28 29 A Q H X S+ 0 0 87 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.940 111.1 46.9 -58.8 -49.7 38.2 -13.8 74.2 29 30 A A H X S+ 0 0 43 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.911 113.7 48.1 -60.0 -43.9 40.9 -11.2 74.2 30 31 A A H <>S+ 0 0 1 -4,-2.6 5,-2.6 2,-0.2 -1,-0.2 0.896 110.6 50.8 -63.6 -44.0 41.5 -11.6 78.0 31 32 A H H ><5S+ 0 0 67 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.904 108.4 52.0 -63.3 -43.1 41.6 -15.4 77.6 32 33 A D H 3<5S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.791 108.8 52.3 -60.0 -32.1 44.2 -15.1 74.8 33 34 A A T 3<5S- 0 0 38 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.324 119.4-111.9 -88.4 6.3 46.3 -12.8 77.1 34 35 A G T < 5 + 0 0 44 -3,-1.5 -31,-0.3 1,-0.2 -3,-0.2 0.747 55.5 169.9 72.5 25.8 46.2 -15.4 79.9 35 36 A A < - 0 0 6 -5,-2.6 -1,-0.2 1,-0.1 -31,-0.2 -0.436 30.2-159.8 -71.4 142.8 44.0 -13.4 82.2 36 37 A H S S+ 0 0 57 -33,-2.7 45,-2.1 1,-0.3 2,-0.3 0.683 78.3 20.0 -85.8 -22.5 42.5 -15.0 85.4 37 38 A F E -bc 4 81A 0 -34,-1.2 -32,-3.2 43,-0.2 2,-0.4 -0.997 59.9-160.0-156.9 135.5 39.8 -12.4 85.7 38 39 A L E -bc 5 82A 0 43,-2.4 45,-3.1 -2,-0.3 2,-0.5 -0.989 10.2-158.7-123.6 137.6 38.0 -9.8 83.6 39 40 A I E -bc 6 83A 0 -34,-2.4 -32,-2.5 -2,-0.4 45,-0.2 -0.963 7.2-169.3-119.1 122.8 36.1 -6.9 85.1 40 41 A A - 0 0 0 43,-2.6 174,-0.1 -2,-0.5 -32,-0.1 -0.562 30.4 -88.1-103.1 169.0 33.4 -5.0 83.1 41 42 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 44,-1.1 -0.087 55.8 -64.4 -75.4 177.6 31.6 -1.7 84.1 42 43 A E T 3 S- 0 0 2 142,-0.8 142,-0.1 172,-0.3 68,-0.1 -0.348 120.5 -4.9 -58.6 131.1 28.6 -0.9 86.1 43 44 A L T >> S+ 0 0 0 66,-0.5 4,-1.7 43,-0.1 3,-0.7 0.764 85.4 157.7 50.0 32.9 25.4 -2.3 84.6 44 45 A A T <4 + 0 0 0 -3,-1.8 -32,-0.2 1,-0.2 42,-0.2 0.849 64.6 57.1 -51.2 -41.4 27.5 -3.4 81.6 45 46 A L T 34 S+ 0 0 0 40,-2.8 -1,-0.2 1,-0.2 -26,-0.2 0.888 119.9 26.8 -63.5 -39.1 24.9 -6.0 80.6 46 47 A S T <4 S- 0 0 0 -3,-0.7 -32,-2.9 39,-0.2 -31,-0.2 0.522 110.6-117.8 -96.3 -12.6 22.0 -3.6 80.2 47 48 A G < - 0 0 0 -4,-1.7 -1,-0.2 -34,-0.3 -33,-0.1 -0.078 45.8 -60.6 77.6 168.7 24.0 -0.4 79.4 48 49 A Y S S+ 0 0 8 1,-0.3 -35,-0.2 -37,-0.2 -37,-0.0 -0.999 103.9 9.4-152.1 137.7 23.8 2.6 81.7 49 50 A P + 0 0 10 0, 0.0 -1,-0.3 0, 0.0 -36,-0.1 0.529 58.7 171.2 -91.7 133.6 21.8 4.5 82.8 50 51 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.1 0.511 23.1-169.9 -79.6 -5.9 18.5 2.8 81.6 51 52 A E G > + 0 0 15 1,-0.2 3,-2.6 2,-0.2 480,-0.2 -0.180 67.5 5.4 52.8-132.4 16.3 5.2 83.7 52 53 A D G > S+ 0 0 0 478,-3.0 3,-2.1 1,-0.3 -1,-0.2 0.562 111.0 83.3 -71.4 -3.6 12.6 4.1 83.8 53 54 A L G X S+ 0 0 5 -3,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.808 83.4 68.3 -53.6 -28.1 13.3 0.9 82.0 54 55 A L G < S+ 0 0 4 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.431 93.7 54.0 -74.8 -0.8 14.2 -0.1 85.6 55 56 A L G < S+ 0 0 13 -3,-2.1 42,-0.4 -4,-0.1 -1,-0.3 0.340 90.2 92.1-101.0 -1.6 10.6 0.2 86.5 56 57 A R X> - 0 0 0 -3,-1.6 3,-1.8 -4,-0.2 4,-1.0 -0.853 66.2-150.8-104.8 113.8 9.5 -2.2 83.8 57 58 A P H 3> S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 3,-0.4 0.858 95.3 59.8 -50.6 -39.6 9.2 -5.9 84.8 58 59 A A H 3> S+ 0 0 6 423,-0.3 4,-2.2 1,-0.2 5,-0.1 0.750 97.4 61.4 -59.0 -27.9 10.1 -7.1 81.3 59 60 A F H <> S+ 0 0 0 -3,-1.8 4,-2.1 -6,-0.3 -1,-0.2 0.914 105.6 44.7 -68.9 -40.0 13.4 -5.3 81.4 60 61 A Y H X S+ 0 0 4 -4,-1.0 4,-2.6 -3,-0.4 -2,-0.2 0.887 111.9 53.0 -70.1 -40.0 14.6 -7.4 84.4 61 62 A A H X S+ 0 0 40 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.925 110.8 47.7 -56.9 -44.0 13.3 -10.6 82.7 62 63 A A H X S+ 0 0 28 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.894 110.4 52.3 -64.1 -41.0 15.3 -9.6 79.6 63 64 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.935 108.9 49.2 -63.2 -45.1 18.4 -8.9 81.8 64 65 A D H X S+ 0 0 72 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.904 112.0 48.7 -61.0 -42.4 18.1 -12.4 83.5 65 66 A A H X S+ 0 0 64 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.907 111.8 49.4 -63.7 -40.7 17.8 -14.1 80.1 66 67 A A H X S+ 0 0 10 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.882 108.8 52.3 -65.3 -37.3 20.8 -12.1 78.8 67 68 A L H X S+ 0 0 17 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.916 110.5 48.5 -66.6 -41.3 22.9 -13.0 81.9 68 69 A A H X S+ 0 0 67 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.910 112.8 48.0 -62.2 -44.2 22.1 -16.8 81.3 69 70 A E H X S+ 0 0 100 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.931 111.3 50.8 -61.7 -47.6 23.1 -16.5 77.7 70 71 A L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.929 108.5 51.4 -56.8 -47.2 26.3 -14.6 78.6 71 72 A A H X S+ 0 0 7 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.915 111.0 48.5 -57.4 -43.2 27.3 -17.3 81.1 72 73 A A H < S+ 0 0 60 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.899 111.9 48.4 -63.9 -41.9 26.7 -20.0 78.5 73 74 A Q H < S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.739 111.0 51.6 -70.3 -24.8 28.8 -18.1 75.9 74 75 A L H >< S+ 0 0 11 -4,-1.8 3,-2.1 -5,-0.2 -1,-0.2 0.644 84.5 91.5 -83.9 -16.8 31.6 -17.6 78.4 75 76 A K T 3< S+ 0 0 130 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.1 0.827 77.0 59.7 -55.5 -36.9 31.9 -21.3 79.4 76 77 A P T 3 S+ 0 0 101 0, 0.0 2,-2.0 0, 0.0 -1,-0.3 0.700 82.9 86.6 -67.1 -15.6 34.5 -22.2 76.8 77 78 A F S X S- 0 0 23 -3,-2.1 3,-1.8 3,-0.1 38,-0.2 -0.453 73.7-165.1 -83.5 69.6 37.0 -19.7 78.3 78 79 A A T 3 + 0 0 77 -2,-2.0 3,-0.1 1,-0.2 -3,-0.0 -0.244 67.9 20.7 -58.0 133.5 38.3 -22.1 80.9 79 80 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 -43,-0.0 -1,-0.2 0.349 98.9 107.3 92.5 -6.3 40.3 -20.5 83.7 80 81 A L < - 0 0 14 -3,-1.8 35,-0.4 -6,-0.2 2,-0.3 -0.935 50.5-161.8-111.3 125.9 38.8 -17.0 83.2 81 82 A A E -c 37 0A 2 -45,-2.1 -43,-2.4 -2,-0.5 2,-0.4 -0.807 9.3-153.4-100.6 143.7 36.3 -15.5 85.6 82 83 A V E -cD 38 113A 2 31,-2.1 31,-3.0 -2,-0.3 2,-0.6 -0.984 7.2-157.9-125.3 123.9 34.2 -12.5 84.5 83 84 A L E +cD 39 112A 0 -45,-3.1 -43,-2.6 -2,-0.4 2,-0.4 -0.904 24.0 178.7 -98.0 118.3 32.6 -9.8 86.8 84 85 A V E - D 0 111A 0 27,-2.8 27,-2.4 -2,-0.6 2,-0.2 -0.979 23.6-132.7-127.6 131.5 29.7 -8.2 85.0 85 86 A G E + D 0 110A 2 -44,-1.1 -40,-2.8 -2,-0.4 25,-0.3 -0.530 36.0 153.4 -77.3 147.0 27.2 -5.5 86.1 86 87 A H E - D 0 109A 2 23,-2.3 23,-2.2 -2,-0.2 2,-0.3 -0.969 46.9-100.9-164.7 152.0 23.5 -5.9 85.6 87 88 A P E - D 0 108A 0 0, 0.0 2,-0.4 0, 0.0 21,-0.2 -0.595 44.7-164.3 -73.6 142.2 20.1 -4.9 87.0 88 89 A L E - D 0 107A 24 19,-2.6 19,-3.1 -2,-0.3 2,-0.4 -0.989 18.7-166.2-136.8 136.6 18.7 -7.5 89.2 89 90 A R E - D 0 106A 15 -2,-0.4 17,-0.2 17,-0.2 16,-0.0 -0.978 34.1-112.9-119.6 130.6 15.3 -8.3 90.7 90 91 A A 0 0 35 15,-2.7 15,-0.1 -2,-0.4 -2,-0.0 -0.273 360.0 360.0 -57.6 144.0 14.9 -10.8 93.5 91 92 A P 0 0 160 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.125 360.0 360.0 -48.7 360.0 13.0 -14.1 92.5 92 ! 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 93 98 A A 0 0 110 0, 0.0 -32,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -64.5 8.2 -13.1 87.5 94 99 A N + 0 0 44 -34,-0.1 -36,-0.1 -36,-0.0 3,-0.1 -0.046 360.0 148.5 -90.7 31.0 6.8 -10.1 85.5 95 100 A R - 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