==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-DEC-11 3V8R . COMPND 2 MOLECULE: PROBABLE INORGANIC POLYPHOSPHATE/ATP-NAD KINASE 1 . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR M.GELIN,G.PONCET-MONTANGE,L.ASSAIRI,L.MORELLATO,V.HUTEAU,L.D . 258 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12382.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 26.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 4 1.6 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 . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 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 . 3 0 0 0 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 . 0 0 1 1 6 0 1 0 0 0 0 1 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 1 0 0 0 0 1 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 62 0, 0.0 29,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.8 10.5 37.2 23.2 2 2 A K + 0 0 49 33,-0.2 35,-2.5 27,-0.2 36,-1.3 -0.427 360.0 174.9 -69.9 149.4 7.6 34.8 22.4 3 3 A Y E -ab 31 38A 5 27,-1.9 29,-3.7 33,-0.2 2,-0.3 -0.966 18.7-165.5-150.9 164.2 8.5 31.1 22.8 4 4 A M E - b 0 39A 5 34,-1.9 36,-2.4 -2,-0.3 2,-0.4 -0.972 9.8-146.4-149.1 162.6 7.1 27.6 22.6 5 5 A I E - b 0 40A 2 -2,-0.3 2,-0.3 34,-0.2 36,-0.2 -0.987 4.8-161.8-138.6 127.6 8.2 24.1 23.7 6 6 A T E - b 0 41A 32 34,-2.4 36,-2.3 -2,-0.4 2,-0.3 -0.803 10.9-156.9-105.5 151.6 7.6 20.7 22.2 7 7 A S E - b 0 42A 28 -2,-0.3 36,-0.2 34,-0.2 7,-0.1 -0.950 27.5-125.8-131.5 145.3 8.0 17.4 24.0 8 8 A K - 0 0 117 34,-2.2 35,-0.1 -2,-0.3 -1,-0.1 0.799 56.3-113.0 -58.0 -29.3 8.6 13.8 22.9 9 9 A G S S+ 0 0 49 1,-0.4 -1,-0.1 33,-0.2 34,-0.1 0.174 77.3 116.8 117.8 -16.8 5.6 12.8 24.9 10 10 A D S > S- 0 0 59 1,-0.1 4,-2.0 4,-0.0 -1,-0.4 -0.294 78.2-102.7 -79.6 168.3 7.2 10.7 27.7 11 11 A E H > S+ 0 0 165 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.911 118.1 53.2 -57.7 -48.2 7.2 11.6 31.4 12 12 A K H > S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.861 112.2 45.2 -57.7 -38.1 10.8 12.9 31.5 13 13 A S H > S+ 0 0 0 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.845 111.9 48.8 -79.2 -36.5 10.2 15.3 28.6 14 14 A D H X S+ 0 0 61 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.885 113.1 49.2 -69.6 -38.8 6.9 16.7 29.8 15 15 A L H X S+ 0 0 105 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.933 111.2 48.3 -64.4 -46.6 8.3 17.3 33.2 16 16 A L H X S+ 0 0 24 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.864 113.2 51.3 -60.7 -34.4 11.4 19.0 31.8 17 17 A R H X S+ 0 0 59 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.946 107.3 48.6 -69.0 -51.3 9.1 21.1 29.6 18 18 A L H X S+ 0 0 103 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.776 111.6 54.3 -62.8 -25.6 6.8 22.3 32.4 19 19 A N H X S+ 0 0 106 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.956 106.8 46.6 -71.2 -52.8 9.9 23.2 34.4 20 20 A M H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.908 112.6 52.5 -57.2 -41.1 11.5 25.4 31.7 21 21 A I H X S+ 0 0 44 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.939 110.4 47.7 -57.5 -48.7 8.1 27.1 31.2 22 22 A A H >< S+ 0 0 54 -4,-1.7 3,-0.6 1,-0.2 4,-0.5 0.955 112.3 47.9 -56.1 -53.4 7.9 27.7 35.0 23 23 A G H 3< S+ 0 0 21 -4,-3.1 3,-0.4 1,-0.3 -1,-0.2 0.758 109.6 55.7 -59.7 -25.4 11.5 29.1 35.0 24 24 A F H >< S+ 0 0 0 -4,-1.8 3,-2.1 -5,-0.3 -1,-0.3 0.809 95.2 64.2 -76.2 -31.8 10.4 31.2 32.0 25 25 A G T << S+ 0 0 60 -4,-1.7 -1,-0.2 -3,-0.6 -2,-0.2 0.640 91.0 68.3 -64.4 -13.0 7.6 32.7 33.9 26 26 A E T 3 S+ 0 0 156 -4,-0.5 -1,-0.3 -3,-0.4 2,-0.2 0.445 105.7 44.6 -84.4 -1.6 10.3 34.2 36.1 27 27 A Y S < S- 0 0 100 -3,-2.1 2,-1.6 2,-0.1 61,-0.0 -0.753 106.5 -81.3-129.5 176.1 11.3 36.4 33.2 28 28 A D S S+ 0 0 148 -2,-0.2 2,-0.3 63,-0.1 -3,-0.1 -0.676 79.5 130.0 -80.6 88.2 9.6 38.6 30.5 29 29 A M - 0 0 17 -2,-1.6 2,-0.4 -5,-0.2 -27,-0.2 -0.862 43.0-156.8-150.1 107.1 8.8 35.7 28.2 30 30 A E - 0 0 103 -2,-0.3 -27,-1.9 -29,-0.2 2,-0.4 -0.717 19.9-128.8 -87.8 130.1 5.3 35.0 26.7 31 31 A Y B +a 3 0A 72 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.631 39.3 159.8 -77.4 131.8 4.5 31.5 25.6 32 32 A D - 0 0 27 -29,-3.7 5,-0.1 -2,-0.4 -2,-0.0 -0.879 26.4-177.2-158.2 116.8 3.2 31.4 22.1 33 33 A D S S+ 0 0 80 -2,-0.3 -29,-0.1 2,-0.1 -2,-0.0 0.180 85.6 55.5-102.6 16.7 3.0 28.4 19.7 34 34 A V S S+ 0 0 105 21,-0.0 -1,-0.1 0, 0.0 -30,-0.1 0.715 125.7 11.3-110.3 -39.7 1.6 30.4 16.8 35 35 A E S S+ 0 0 111 -32,-0.1 -33,-0.2 26,-0.0 -2,-0.1 -0.270 85.1 161.6-136.4 48.6 4.2 33.2 16.4 36 36 A P - 0 0 0 0, 0.0 -33,-0.2 0, 0.0 3,-0.1 -0.284 32.2-161.6 -72.9 156.5 7.2 32.2 18.6 37 37 A E S S+ 0 0 77 -35,-2.5 26,-2.0 1,-0.3 2,-0.4 0.583 85.0 45.0-104.6 -22.3 10.7 33.6 18.3 38 38 A I E -bc 3 63A 0 -36,-1.3 -34,-1.9 24,-0.2 2,-0.5 -0.989 66.9-169.8-124.0 128.0 12.2 30.8 20.2 39 39 A V E -bc 4 64A 1 24,-1.9 26,-2.5 -2,-0.4 2,-0.5 -0.939 5.2-173.7-121.4 111.5 11.4 27.1 19.6 40 40 A I E -bc 5 65A 0 -36,-2.4 -34,-2.4 -2,-0.5 2,-0.4 -0.888 3.5-165.9-105.4 128.2 12.7 24.6 22.1 41 41 A S E -bc 6 66A 1 24,-2.3 26,-2.8 -2,-0.5 2,-0.5 -0.925 3.4-158.6-114.1 142.1 12.2 20.8 21.5 42 42 A I E +bc 7 67A 0 -36,-2.3 -34,-2.2 -2,-0.4 2,-0.2 -0.946 60.1 38.3-127.4 111.7 12.7 18.2 24.1 43 43 A G E S- c 0 68A 2 24,-2.5 26,-1.4 -2,-0.5 27,-0.6 -0.754 98.2 -34.9 158.7-107.2 13.4 14.6 23.2 44 44 A G S > S- 0 0 16 -2,-0.2 4,-1.7 24,-0.2 5,-0.1 -0.658 70.5 -74.4-134.7-168.4 15.6 13.5 20.3 45 45 A D H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.864 129.4 57.3 -61.8 -34.0 16.5 14.5 16.8 46 46 A G H > S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.917 103.9 50.4 -60.1 -46.2 13.1 13.2 15.7 47 47 A T H > S+ 0 0 21 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.847 111.1 50.7 -61.8 -34.1 11.4 15.6 18.1 48 48 A F H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.914 105.9 55.2 -67.8 -43.5 13.5 18.4 16.6 49 49 A L H X S+ 0 0 17 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.924 108.5 47.1 -54.4 -49.3 12.6 17.4 13.1 50 50 A S H X S+ 0 0 69 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.855 110.0 53.7 -62.8 -35.8 8.8 17.7 13.8 51 51 A A H X S+ 0 0 1 -4,-1.4 4,-0.9 -5,-0.2 -1,-0.2 0.885 107.8 51.8 -66.5 -38.7 9.4 21.1 15.5 52 52 A F H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.936 112.1 43.9 -59.9 -50.3 11.2 22.3 12.4 53 53 A H H 3< S+ 0 0 27 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.709 104.5 63.6 -74.7 -21.0 8.4 21.3 10.0 54 54 A Q H 3< S+ 0 0 100 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.818 121.0 23.3 -67.6 -29.4 5.7 22.7 12.3 55 55 A Y S X< S+ 0 0 12 -4,-0.9 3,-1.9 -3,-0.7 -1,-0.2 0.046 81.2 126.5-125.3 25.0 7.2 26.1 11.8 56 56 A E G > + 0 0 48 -3,-0.5 3,-0.5 1,-0.3 -1,-0.1 0.626 69.9 63.2 -65.0 -11.6 9.0 25.7 8.5 57 57 A E G 3 S+ 0 0 178 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.180 106.6 42.4 -98.1 17.6 7.2 28.7 7.1 58 58 A R G X + 0 0 51 -3,-1.9 3,-2.7 2,-0.0 4,-0.3 0.085 69.5 133.2-144.0 20.8 8.8 31.1 9.6 59 59 A L G X S+ 0 0 6 -3,-0.5 3,-1.2 1,-0.3 181,-0.4 0.803 71.1 55.7 -47.5 -40.0 12.4 29.9 9.6 60 60 A D G 3 S+ 0 0 125 1,-0.2 -1,-0.3 179,-0.1 179,-0.0 0.591 108.3 48.7 -74.1 -9.4 13.8 33.4 9.3 61 61 A E G < S+ 0 0 124 -3,-2.7 2,-0.3 -25,-0.1 -1,-0.2 0.273 103.9 71.5-111.8 9.2 11.9 34.6 12.4 62 62 A I < - 0 0 5 -3,-1.2 2,-0.5 -4,-0.3 178,-0.3 -0.950 56.3-156.1-130.5 145.7 12.9 31.7 14.8 63 63 A A E -c 38 0A 3 -26,-2.0 -24,-1.9 -2,-0.3 2,-0.3 -0.991 25.3-145.8-115.7 124.0 15.9 30.4 16.6 64 64 A F E -cd 39 241A 1 176,-2.6 178,-1.7 -2,-0.5 2,-0.4 -0.658 13.9-170.8 -92.5 142.3 15.7 26.7 17.4 65 65 A I E -c 40 0A 3 -26,-2.5 -24,-2.3 -2,-0.3 2,-0.5 -0.998 7.4-158.5-127.2 137.7 17.1 24.9 20.5 66 66 A G E -c 41 0A 1 -2,-0.4 12,-1.5 9,-0.3 11,-0.6 -0.955 6.0-171.6-122.7 121.7 17.3 21.2 20.9 67 67 A I E -ce 42 78A 0 -26,-2.8 -24,-2.5 -2,-0.5 2,-0.6 -0.899 12.9-147.2-109.0 135.0 17.5 19.2 24.2 68 68 A H E -c 43 0A 3 10,-2.2 -24,-0.2 -2,-0.4 4,-0.1 -0.896 14.9-176.6-104.6 117.7 18.1 15.5 24.3 69 69 A T S S+ 0 0 11 -26,-1.4 2,-0.1 -2,-0.6 -25,-0.1 0.259 82.3 25.2 -89.1 10.1 16.5 13.6 27.2 70 70 A G S S- 0 0 43 -27,-0.6 3,-0.1 1,-0.4 -2,-0.1 -0.365 119.5 -9.7-137.3-138.9 18.3 10.5 25.9 71 71 A H S S- 0 0 186 -2,-0.1 -1,-0.4 1,-0.1 -2,-0.1 -0.328 88.9 -80.0 -65.2 149.1 21.4 9.9 23.9 72 72 A L - 0 0 25 183,-0.1 2,-0.2 -3,-0.1 5,-0.2 -0.136 50.3-159.8 -46.6 138.8 23.1 12.9 22.3 73 73 A G - 0 0 3 3,-2.2 -5,-0.1 -7,-0.1 -1,-0.1 -0.671 26.9-121.4-113.7 175.3 21.5 14.0 19.1 74 74 A F S S+ 0 0 19 -2,-0.2 3,-0.2 1,-0.1 -1,-0.1 0.757 118.0 21.1 -88.6 -26.4 22.9 16.2 16.2 75 75 A Y S S+ 0 0 9 1,-0.2 2,-1.1 -10,-0.1 -9,-0.3 0.659 123.2 59.6-104.9 -29.1 20.1 18.8 16.7 76 76 A A + 0 0 0 1,-0.2 -3,-2.2 -11,-0.1 -9,-0.2 -0.691 66.2 141.2 -97.5 78.8 19.3 17.8 20.3 77 77 A D + 0 0 24 -2,-1.1 2,-0.5 -11,-0.6 -10,-0.2 0.259 37.9 90.5-110.5 9.2 22.8 18.5 21.6 78 78 A W B S-e 67 0A 16 -12,-1.5 -10,-2.2 -3,-0.1 5,-0.0 -0.931 70.8-131.2-109.7 128.5 22.0 20.0 25.0 79 79 A R > - 0 0 121 -2,-0.5 3,-1.8 -12,-0.2 -10,-0.1 -0.400 20.8-117.7 -73.4 150.8 21.6 17.8 28.1 80 80 A P G > S+ 0 0 35 0, 0.0 3,-2.7 0, 0.0 4,-0.3 0.871 112.3 68.1 -53.4 -38.1 18.6 18.2 30.4 81 81 A A G 3 S+ 0 0 95 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.748 97.2 53.3 -56.4 -24.5 21.0 19.2 33.2 82 82 A E G <> S+ 0 0 65 -3,-1.8 4,-1.6 1,-0.2 3,-0.3 0.345 80.4 102.7 -93.5 7.9 21.8 22.4 31.3 83 83 A A H X> S+ 0 0 4 -3,-2.7 4,-2.1 1,-0.2 3,-0.7 0.943 75.5 51.1 -55.1 -58.4 18.1 23.3 31.0 84 84 A D H 3> S+ 0 0 120 -4,-0.3 4,-1.4 1,-0.3 -1,-0.2 0.807 111.1 50.4 -54.7 -31.5 17.9 26.0 33.7 85 85 A K H 3> S+ 0 0 135 -3,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.812 105.6 55.7 -78.0 -30.5 20.9 27.8 32.2 86 86 A L H X S+ 0 0 115 -4,-1.4 4,-0.9 2,-0.2 3,-0.8 0.952 114.3 47.8 -65.0 -51.6 18.4 32.3 31.7 89 89 A L H >X>S+ 0 0 48 -4,-2.2 4,-0.8 1,-0.3 5,-0.6 0.859 110.0 52.6 -61.3 -38.4 20.6 32.9 28.6 90 90 A L H 3<5S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.759 100.0 67.0 -65.5 -24.8 17.7 32.9 26.2 91 91 A A H <<5S+ 0 0 32 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.835 97.5 50.0 -67.4 -34.7 16.1 35.6 28.4 92 92 A K H <<5S- 0 0 169 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.772 93.0-142.4 -77.7 -26.5 18.7 38.2 27.6 93 93 A G T <5 + 0 0 37 -4,-0.8 -3,-0.1 -3,-0.1 -2,-0.1 0.718 67.8 119.1 69.8 20.6 18.4 37.8 23.9 94 94 A E < + 0 0 89 -5,-0.6 -4,-0.1 2,-0.0 -1,-0.1 0.716 40.1 119.2 -84.9 -23.7 22.2 38.3 23.7 95 95 A Y - 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