==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-FEB-07 2JG5 . COMPND 2 MOLECULE: FRUCTOSE 1-PHOSPHATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR X.YAN,L.G.CARTER,K.A.JOHNSON,H.LIU,M.DORWARD,S.A.MCMAHON,M.O . 612 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25949.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 10.3 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 54 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 3 2 0 1 3 3 4 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 4 3 3 3 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 PARALLEL BRIDGES PER LADDER . 0 0 1 5 0 2 1 1 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 . 2 0 0 2 2 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 88 0, 0.0 127,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.5 15.3 57.9 20.7 2 2 A I E -a 128 0A 15 125,-0.2 52,-2.2 50,-0.1 2,-0.4 -0.939 360.0-160.6-111.4 133.0 15.5 58.5 16.9 3 3 A Y E -ab 129 54A 54 125,-3.3 127,-3.5 -2,-0.4 2,-0.4 -0.949 6.9-162.2-119.6 129.4 15.9 62.0 15.5 4 4 A T E -ab 130 55A 0 50,-1.6 52,-3.4 -2,-0.4 2,-0.5 -0.868 11.2-153.2-102.4 141.3 15.1 63.3 12.0 5 5 A V E +ab 131 56A 0 125,-2.5 127,-1.8 -2,-0.4 2,-0.5 -0.981 15.7 175.9-118.5 122.7 16.7 66.6 10.8 6 6 A T E - b 0 57A 5 50,-1.7 52,-1.3 -2,-0.5 127,-0.1 -0.965 8.1-172.8-123.9 108.7 15.0 68.7 8.2 7 7 A F S S+ 0 0 2 -2,-0.5 -1,-0.1 125,-0.4 126,-0.1 0.835 85.4 24.9 -66.4 -36.8 16.8 72.0 7.5 8 8 A N S S- 0 0 20 126,-0.2 -1,-0.2 97,-0.1 126,-0.1 -0.467 81.2-178.7-132.3 59.7 14.1 73.4 5.2 9 9 A P - 0 0 1 0, 0.0 79,-0.7 0, 0.0 2,-0.3 -0.075 13.5-152.0 -59.4 164.7 10.7 71.8 6.0 10 10 A S E -Kl 36 88B 3 26,-2.8 26,-3.5 77,-0.1 2,-0.6 -0.952 27.4-128.9-140.0 151.6 7.7 72.7 4.0 11 11 A I E -Kl 35 89B 0 77,-2.3 79,-2.9 -2,-0.3 2,-1.0 -0.919 33.2-146.4 -84.9 125.4 4.0 73.0 3.7 12 12 A D E -Kl 34 90B 14 22,-2.8 2,-1.1 -2,-0.6 22,-1.1 -0.848 11.1-159.9 -94.1 97.9 3.2 71.2 0.6 13 13 A Y E -Kl 33 91B 3 77,-3.0 79,-2.4 -2,-1.0 2,-0.5 -0.705 8.3-161.6 -82.1 98.9 0.3 73.2 -0.8 14 14 A V E -Kl 32 92B 4 18,-2.7 18,-2.4 -2,-1.1 2,-0.5 -0.742 7.4-171.0 -89.9 124.8 -1.3 70.7 -3.2 15 15 A I E -Kl 31 93B 2 77,-2.8 79,-3.0 -2,-0.5 2,-0.5 -0.968 11.3-157.3-123.8 119.1 -3.7 72.4 -5.7 16 16 A F E +Kl 30 94B 60 14,-3.5 14,-1.5 -2,-0.5 13,-1.4 -0.858 29.1 151.8 -93.9 128.4 -6.0 70.5 -8.0 17 17 A T - 0 0 8 77,-1.6 3,-0.4 -2,-0.5 2,-0.2 -0.949 35.5-128.6-158.8 137.2 -6.9 72.5 -11.1 18 18 A N S S+ 0 0 114 9,-0.4 3,-0.2 -2,-0.3 9,-0.2 -0.627 82.3 6.2 -91.6 147.7 -7.9 71.5 -14.7 19 19 A D S S- 0 0 133 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.946 84.8-135.5 49.2 60.2 -6.4 72.9 -17.9 20 20 A F - 0 0 29 -3,-0.4 2,-0.7 1,-0.1 -1,-0.2 -0.237 21.2-157.0 -50.2 114.5 -3.7 74.9 -16.2 21 21 A K > - 0 0 140 -3,-0.2 3,-1.2 386,-0.2 386,-0.3 -0.850 4.2-148.5-109.4 104.8 -3.7 78.3 -18.0 22 22 A I T 3 S+ 0 0 65 -2,-0.7 383,-0.1 1,-0.2 3,-0.1 -0.421 87.9 19.3 -64.0 139.6 -0.5 80.4 -17.9 23 23 A D T 3 S+ 0 0 97 1,-0.3 2,-0.3 381,-0.2 -1,-0.2 0.681 116.2 103.6 69.9 20.4 -1.1 84.2 -18.0 24 24 A G S < S- 0 0 11 -3,-1.2 383,-2.5 383,-0.1 2,-0.8 -0.871 82.5-103.5-135.0 160.4 -4.6 83.3 -16.8 25 25 A L E -o 407 0C 87 -2,-0.3 2,-0.3 381,-0.2 383,-0.2 -0.782 42.9-174.4 -81.5 107.4 -7.0 83.3 -13.9 26 26 A N E -o 408 0C 9 381,-2.6 383,-2.5 -2,-0.8 2,-0.5 -0.794 13.9-149.2 -98.2 149.9 -7.3 79.6 -12.9 27 27 A R E -o 409 0C 182 -2,-0.3 -9,-0.4 -9,-0.2 2,-0.3 -0.983 17.5-129.7-122.1 119.7 -9.7 78.4 -10.2 28 28 A A - 0 0 6 381,-3.1 -11,-0.3 -2,-0.5 3,-0.1 -0.502 5.9-155.0 -69.1 127.0 -8.6 75.4 -8.1 29 29 A T S S- 0 0 110 -13,-1.4 2,-0.3 1,-0.3 -12,-0.2 0.691 79.2 -13.8 -72.7 -21.2 -11.3 72.7 -7.9 30 30 A A E -K 16 0B 44 -14,-1.5 -14,-3.5 2,-0.0 2,-0.3 -0.908 61.6-164.7-173.0 153.5 -9.7 71.7 -4.6 31 31 A T E +K 15 0B 44 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.947 6.1 177.8-136.3 160.0 -6.6 72.1 -2.4 32 32 A Y E -K 14 0B 82 -18,-2.4 -18,-2.7 -2,-0.3 2,-0.4 -0.970 13.5-143.0-154.6 172.2 -5.0 70.4 0.5 33 33 A K E +K 13 0B 39 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.981 15.7 171.9-138.3 142.4 -1.9 70.8 2.7 34 34 A F E -K 12 0B 32 -22,-1.1 -22,-2.8 -2,-0.4 2,-0.7 -0.970 41.5 -95.0-143.6 167.0 0.6 68.6 4.4 35 35 A A E -K 11 0B 0 -2,-0.3 -24,-0.2 -24,-0.2 2,-0.2 -0.723 51.5-177.7 -78.2 113.9 3.9 68.8 6.3 36 36 A G E +K 10 0B 0 -26,-3.5 -26,-2.8 -2,-0.7 2,-0.2 -0.648 24.8 104.6-110.0 173.3 6.7 68.0 3.8 37 37 A G S > S- 0 0 15 -28,-0.3 4,-2.5 -2,-0.2 5,-0.2 -0.330 70.5 -96.7 125.8 148.0 10.4 67.7 3.9 38 38 A K H > S+ 0 0 64 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.959 121.4 42.7 -62.5 -57.0 12.7 64.6 3.8 39 39 A G H > S+ 0 0 0 93,-0.8 4,-2.4 -34,-0.3 -1,-0.2 0.862 114.4 53.6 -57.1 -37.5 13.3 64.1 7.5 40 40 A I H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 108.3 49.2 -62.2 -44.8 9.6 64.8 8.1 41 41 A N H X S+ 0 0 11 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.901 108.5 53.5 -62.1 -41.8 8.7 62.1 5.6 42 42 A V H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.953 109.5 48.3 -56.8 -48.7 11.1 59.7 7.4 43 43 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.884 110.3 53.4 -57.5 -38.5 9.3 60.5 10.7 44 44 A R H X S+ 0 0 49 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.905 113.2 41.2 -64.8 -43.9 6.0 59.9 8.9 45 45 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.907 112.0 54.1 -72.6 -40.8 7.0 56.5 7.6 46 46 A L H <>S+ 0 0 0 -4,-3.2 5,-2.2 -5,-0.2 3,-0.5 0.933 110.1 50.4 -55.6 -42.6 8.7 55.5 10.9 47 47 A K H ><5S+ 0 0 47 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.907 104.9 53.8 -60.5 -49.1 5.3 56.4 12.5 48 48 A T H 3<5S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.757 110.2 50.9 -50.9 -28.9 3.3 54.2 10.1 49 49 A L T 3<5S- 0 0 10 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.360 123.0-108.0 -95.8 4.1 5.7 51.4 11.2 50 50 A D T < 5S+ 0 0 123 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.850 75.4 133.8 74.2 37.0 5.1 52.1 14.9 51 51 A V < - 0 0 19 -5,-2.2 -1,-0.2 -8,-0.2 -2,-0.2 -0.978 49.9-131.7-126.6 123.1 8.5 53.7 15.6 52 52 A E + 0 0 87 -2,-0.5 2,-0.3 -3,-0.1 -50,-0.1 -0.238 32.3 159.2 -67.9 154.0 8.9 56.9 17.5 53 53 A S - 0 0 2 -52,-0.1 24,-0.9 2,-0.0 2,-0.5 -0.933 31.9-131.5-167.2 157.1 11.1 59.8 16.4 54 54 A T E -bc 3 77A 13 -52,-2.2 -50,-1.6 -2,-0.3 2,-0.4 -0.987 23.0-129.2-121.3 125.0 11.4 63.4 17.1 55 55 A A E -bc 4 78A 0 22,-2.7 24,-3.2 -2,-0.5 2,-0.2 -0.600 29.3-178.6 -76.0 122.7 11.5 65.9 14.2 56 56 A L E +b 5 0A 4 -52,-3.4 -50,-1.7 -2,-0.4 2,-0.3 -0.705 32.5 78.2-111.0 169.8 14.4 68.4 14.5 57 57 A G E S-b 6 0A 0 22,-0.4 24,-3.2 -2,-0.2 2,-0.5 -0.903 79.0 -31.4 127.2-156.7 15.3 71.2 12.2 58 58 A F E +s 81 0D 1 -52,-1.3 2,-0.3 -2,-0.3 24,-0.2 -0.873 47.7 166.4-115.6 127.6 13.9 74.7 11.5 59 59 A A E +s 82 0D 5 22,-2.0 24,-2.5 -2,-0.5 2,-0.3 -0.989 5.9 166.8-133.4 148.2 10.5 76.2 11.9 60 60 A G > + 0 0 3 -2,-0.3 27,-2.2 22,-0.2 4,-1.2 -0.994 42.3 0.6-157.0 154.9 9.2 79.8 11.9 61 61 A G H > S- 0 0 33 22,-0.5 4,-1.5 -2,-0.3 24,-0.1 -0.137 106.1 -47.5 62.8-158.9 6.0 81.8 11.7 62 62 A F H > S+ 0 0 47 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.821 138.5 61.1 -82.1 -31.9 2.6 80.3 11.3 63 63 A P H > S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.838 106.0 52.7 -52.5 -31.0 3.7 78.0 8.5 64 64 A G H X S+ 0 0 1 -4,-1.2 4,-1.7 2,-0.2 3,-0.4 0.942 106.8 48.8 -69.4 -50.9 6.0 76.8 11.3 65 65 A K H X S+ 0 0 114 -4,-1.5 4,-3.2 1,-0.2 5,-0.3 0.879 105.4 59.6 -54.1 -44.6 3.2 76.2 13.8 66 66 A F H X S+ 0 0 31 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.890 105.4 48.6 -53.2 -44.5 1.2 74.3 11.1 67 67 A I H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.4 -1,-0.2 0.895 112.7 47.5 -64.2 -42.2 4.0 71.8 10.8 68 68 A I H X S+ 0 0 49 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.952 115.3 44.5 -64.7 -48.1 4.2 71.3 14.5 69 69 A D H X S+ 0 0 89 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.888 113.1 51.8 -63.9 -39.9 0.4 70.9 14.9 70 70 A T H X S+ 0 0 26 -4,-2.7 4,-1.1 -5,-0.3 -1,-0.2 0.935 113.5 43.9 -60.6 -49.0 0.3 68.6 11.9 71 71 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 3,-0.5 0.925 113.3 52.0 -60.8 -45.5 3.0 66.4 13.4 72 72 A N H ><5S+ 0 0 84 -4,-3.1 3,-1.9 1,-0.3 -2,-0.2 0.906 106.2 52.7 -58.6 -44.4 1.4 66.5 16.8 73 73 A N H 3<5S+ 0 0 143 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.775 109.3 51.4 -61.7 -26.3 -2.0 65.4 15.4 74 74 A S T <<5S- 0 0 45 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.393 119.8-113.5 -88.0 0.6 -0.1 62.5 13.9 75 75 A A T < 5S+ 0 0 57 -3,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.829 72.8 136.4 64.6 34.7 1.5 61.7 17.3 76 76 A I < - 0 0 2 -5,-2.6 -1,-0.3 -8,-0.1 -2,-0.2 -0.961 48.9-135.1-110.7 127.8 4.9 62.6 16.1 77 77 A Q E -c 54 0A 104 -24,-0.9 -22,-2.7 -2,-0.5 2,-0.3 -0.411 22.6-173.2 -77.1 155.2 7.1 64.7 18.4 78 78 A S E -c 55 0A 29 -24,-0.3 -22,-0.2 -2,-0.1 -24,-0.0 -0.991 24.3-175.1-148.0 152.2 9.1 67.7 17.3 79 79 A N + 0 0 92 -24,-3.2 -22,-0.4 -2,-0.3 2,-0.1 -0.397 27.7 176.4-146.3 57.7 11.7 70.0 18.7 80 80 A F - 0 0 24 -24,-0.2 2,-0.6 1,-0.1 -22,-0.2 -0.331 34.0-115.9 -66.9 145.8 12.2 72.5 15.9 81 81 A I E -s 58 0D 7 -24,-3.2 -22,-2.0 -2,-0.1 2,-0.3 -0.777 33.3-122.6 -83.8 119.6 14.5 75.6 16.3 82 82 A E E -s 59 0D 143 -2,-0.6 2,-0.3 -24,-0.2 -22,-0.2 -0.482 31.7-167.8 -66.5 119.8 12.3 78.7 16.0 83 83 A V - 0 0 4 -24,-2.5 -22,-0.5 -2,-0.3 25,-0.1 -0.732 28.4-119.1-106.2 163.7 13.6 80.9 13.2 84 84 A D S S+ 0 0 120 23,-0.4 2,-0.3 -2,-0.3 24,-0.1 0.501 90.2 59.1 -85.5 -7.3 12.5 84.5 12.5 85 85 A E S S- 0 0 103 22,-0.4 -2,-0.2 -24,-0.1 2,-0.1 -0.834 95.6 -79.0-120.5 164.2 11.0 83.9 9.0 86 86 A D - 0 0 50 -2,-0.3 -25,-0.2 19,-0.1 3,-0.1 -0.314 40.6-113.5 -66.4 133.2 8.2 81.7 7.7 87 87 A T - 0 0 1 -27,-2.2 -77,-0.1 1,-0.1 -1,-0.1 -0.358 54.1 -94.1 -52.8 140.1 8.7 78.0 7.0 88 88 A R E -l 10 0B 45 -79,-0.7 -77,-2.3 15,-0.1 2,-0.5 -0.230 25.9-143.3 -70.1 154.8 8.3 77.7 3.3 89 89 A I E -l 11 0B 2 -79,-0.2 2,-0.3 15,-0.2 -77,-0.2 -0.970 16.5-163.2-115.3 110.8 5.2 76.9 1.3 90 90 A N E -l 12 0B 3 -79,-2.9 -77,-3.0 -2,-0.5 2,-0.5 -0.734 11.7-138.6 -92.2 141.3 6.0 74.7 -1.7 91 91 A V E -lM 13 101B 0 10,-3.2 10,-3.3 -2,-0.3 2,-0.5 -0.887 15.1-171.0-108.6 131.4 3.3 74.4 -4.5 92 92 A K E -lM 14 100B 30 -79,-2.4 -77,-2.8 -2,-0.5 2,-0.8 -0.961 10.5-158.0-119.5 110.3 2.3 71.2 -6.2 93 93 A L E -lM 15 99B 0 6,-3.3 6,-2.0 -2,-0.5 2,-0.9 -0.794 5.3-166.2 -94.0 109.9 -0.0 71.8 -9.2 94 94 A K E +lM 16 98B 53 -79,-3.0 -77,-1.6 -2,-0.8 4,-0.2 -0.812 35.8 125.1-102.2 96.8 -2.0 68.7 -10.1 95 95 A T S S- 0 0 41 2,-2.5 -77,-0.1 -2,-0.9 -1,-0.0 0.150 94.0 -57.9-104.5-130.1 -3.6 69.0 -13.5 96 96 A G S S+ 0 0 68 -2,-0.1 2,-0.2 -79,-0.1 -78,-0.1 0.707 135.4 54.8 -79.4 -30.0 -3.0 66.3 -16.1 97 97 A Q S S- 0 0 92 2,-0.0 -2,-2.5 234,-0.0 2,-0.6 -0.665 87.1-129.3 -98.7 158.1 0.6 67.3 -15.5 98 98 A E E -M 94 0B 95 -2,-0.2 2,-0.5 -4,-0.2 -4,-0.2 -0.936 28.8-179.5-112.5 114.0 2.4 67.4 -12.2 99 99 A T E -M 93 0B 4 -6,-2.0 -6,-3.3 -2,-0.6 2,-0.4 -0.945 8.9-162.0-123.0 112.3 4.2 70.8 -11.6 100 100 A E E -Mn 92 332B 47 231,-1.0 233,-2.0 -2,-0.5 2,-0.4 -0.751 5.8-169.1 -94.1 139.7 6.2 71.5 -8.4 101 101 A I E -Mn 91 333B 3 -10,-3.3 -10,-3.2 -2,-0.4 2,-0.4 -0.913 12.9-164.5-126.0 102.2 7.1 75.0 -7.4 102 102 A N E - 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