==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JUL-08 3DRW . COMPND 2 MOLECULE: ADP-SPECIFIC PHOSPHOFRUCTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR A.U.SINGER,T.SKARINA,S.KOCHINYAN,G.BROWN,M.E.CUFF,A.M.EDWARD . 910 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 677 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 8.7 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 71 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 3 1 0 2 2 2 5 5 0 0 4 2 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 5 5 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 PARALLEL BRIDGES PER LADDER . 3 0 1 1 7 2 1 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 . 2 0 0 0 2 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 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 -10 A S 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.4 4.7 12.2 10.1 2 -9 A G - 0 0 80 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.884 360.0-135.7 -58.8 -38.9 5.6 15.4 8.2 3 -8 A R S S+ 0 0 83 3,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.379 79.3 110.6 83.7 5.9 2.1 15.4 6.7 4 -7 A E + 0 0 192 2,-0.1 2,-0.1 0, 0.0 -2,-0.0 0.418 46.9 130.0 -78.5 2.9 3.5 16.2 3.2 5 -6 A N - 0 0 104 1,-0.1 2,-0.5 2,-0.0 0, 0.0 -0.361 43.2-161.9 -62.4 125.5 2.3 12.6 2.4 6 -5 A L >> - 0 0 59 1,-0.1 4,-2.0 -2,-0.1 3,-0.8 -0.949 19.6-154.5-119.7 121.0 0.2 12.5 -0.7 7 -4 A Y T 34 S+ 0 0 90 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.884 100.1 48.9 -53.2 -40.6 -2.1 9.6 -1.7 8 -3 A F T 34 S+ 0 0 194 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.723 119.5 37.0 -73.2 -21.4 -1.8 10.4 -5.4 9 -2 A Q T <4 0 0 161 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.594 360.0 360.0-108.7 -16.2 2.0 10.7 -5.3 10 -1 A G < 0 0 68 -4,-2.0 -1,-0.2 -3,-0.1 0, 0.0 -0.968 360.0 360.0-164.8 360.0 3.3 8.0 -2.9 11 ! 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 12 1 A M 0 0 124 0, 0.0 -2,-0.1 0, 0.0 360,-0.0 0.000 360.0 360.0 360.0 -31.8 3.6 1.8 -3.9 13 2 A I - 0 0 40 1,-0.1 2,-2.0 376,-0.0 3,-0.1 -0.703 360.0-128.0 -71.2 122.2 6.8 1.4 -1.9 14 3 A P > + 0 0 6 0, 0.0 3,-1.6 0, 0.0 108,-0.3 -0.442 39.7 169.0 -70.8 72.9 5.9 0.8 1.8 15 4 A E T 3 + 0 0 120 -2,-2.0 107,-1.5 1,-0.3 -2,-0.0 0.714 64.8 61.9 -62.6 -26.8 8.2 3.5 3.2 16 5 A H T 3 S+ 0 0 61 105,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.511 81.7 105.6 -86.6 -1.5 6.8 3.5 6.7 17 6 A L < - 0 0 1 -3,-1.6 106,-1.3 105,-0.1 105,-0.5 -0.462 53.9-152.6 -85.4 149.6 7.7 -0.2 7.6 18 7 A S E -a 123 0A 9 104,-0.2 209,-3.2 -2,-0.2 210,-1.3 -0.984 18.9-170.8-119.4 134.9 10.5 -1.4 9.8 19 8 A I E -ab 124 228A 0 104,-2.1 106,-2.5 -2,-0.4 2,-0.4 -0.971 17.1-155.6-135.9 139.5 12.0 -4.8 9.1 20 9 A Y E -ab 125 229A 1 208,-2.2 210,-2.1 -2,-0.4 2,-0.3 -0.908 16.2-168.5-111.4 137.4 14.4 -7.2 10.9 21 10 A T E -ab 126 230A 0 104,-2.3 106,-2.4 -2,-0.4 2,-0.3 -0.965 13.6-152.7-126.6 146.5 16.3 -9.8 8.8 22 11 A A E - b 0 231A 0 208,-2.1 210,-1.5 -2,-0.3 106,-0.2 -0.950 32.0 -5.7-162.2 158.7 18.4 -12.8 10.0 23 12 A Y S S+ 0 0 4 104,-0.5 2,-0.6 208,-0.3 210,-0.2 -0.983 86.1 62.5-124.5 -3.7 20.5 -15.0 10.0 24 13 A N + 0 0 17 208,-0.4 86,-1.6 104,-0.1 85,-0.7 -0.811 41.9 143.0-108.5 120.1 22.6 -15.4 7.0 25 14 A A + 0 0 9 -2,-0.6 2,-0.3 84,-0.2 82,-0.3 -0.988 17.6 158.4-144.0 138.7 25.1 -12.9 5.5 26 15 A N E -J 106 0B 10 80,-2.7 80,-3.0 -2,-0.3 2,-0.4 -0.932 41.8 -90.9-150.4 177.3 28.5 -13.6 3.9 27 16 A I E -Jk 105 170B 1 142,-2.4 144,-2.8 -2,-0.3 2,-0.6 -0.855 26.7-159.1 -96.9 132.2 31.1 -12.3 1.5 28 17 A A E -Jk 104 171B 37 76,-3.2 76,-3.2 -2,-0.4 2,-0.4 -0.970 20.6-176.0-107.6 111.6 30.9 -13.3 -2.2 29 18 A A E -Jk 103 172B 0 142,-3.2 144,-2.7 -2,-0.6 2,-0.4 -0.864 12.7-154.7-116.2 144.5 34.3 -12.9 -3.6 30 19 A I E -Jk 102 173B 32 72,-2.5 71,-2.0 -2,-0.4 72,-0.8 -0.965 4.5-167.1-121.2 139.1 35.4 -13.3 -7.2 31 20 A V E - k 0 174B 3 142,-2.7 144,-2.8 -2,-0.4 2,-0.6 -0.995 14.9-143.1-123.9 127.1 38.9 -14.2 -8.5 32 21 A K E - k 0 175B 74 -2,-0.4 2,-1.2 67,-0.3 144,-0.2 -0.827 14.1-149.3 -87.1 117.1 39.9 -13.8 -12.2 33 22 A L + 0 0 4 142,-2.7 144,-0.5 -2,-0.6 2,-0.1 -0.693 26.5 169.7 -89.9 89.9 42.2 -16.7 -13.1 34 23 A N > - 0 0 79 -2,-1.2 4,-2.3 142,-0.1 5,-0.2 -0.362 50.8 -87.6 -88.4-179.2 44.4 -15.4 -15.8 35 24 A Q H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 125.8 45.9 -55.4 -48.2 47.5 -17.2 -17.2 36 25 A E H > S+ 0 0 135 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 112.3 52.6 -65.4 -37.8 50.0 -15.8 -14.6 37 26 A T H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 113.1 42.6 -62.5 -49.4 47.6 -16.6 -11.7 38 27 A I H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.918 114.7 48.7 -65.9 -46.0 47.1 -20.2 -12.7 39 28 A Q H X S+ 0 0 31 -4,-2.3 4,-3.2 -5,-0.2 -2,-0.2 0.928 112.1 49.2 -64.4 -42.5 50.7 -20.9 -13.5 40 29 A N H X S+ 0 0 82 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.885 112.6 48.4 -64.3 -36.4 51.9 -19.4 -10.2 41 30 A L H >< S+ 0 0 9 -4,-1.8 3,-0.9 -5,-0.2 4,-0.3 0.962 115.0 44.2 -64.8 -51.2 49.4 -21.4 -8.3 42 31 A I H >< S+ 0 0 4 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.885 106.3 62.0 -59.3 -42.4 50.3 -24.7 -10.1 43 32 A N H 3< S+ 0 0 102 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.736 90.8 67.3 -61.0 -22.5 54.0 -24.0 -9.7 44 33 A A T << S+ 0 0 79 -3,-0.9 -1,-0.3 -4,-0.8 2,-0.3 0.731 100.2 60.8 -69.9 -19.2 53.8 -24.1 -5.9 45 34 A F S < S- 0 0 47 -3,-2.1 3,-0.0 -4,-0.3 0, 0.0 -0.745 92.7-104.8-116.0 149.6 53.0 -27.8 -6.1 46 35 A D > - 0 0 71 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.612 30.8-138.8 -68.2 127.5 54.8 -30.9 -7.4 47 36 A P H > S+ 0 0 39 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.863 103.1 51.5 -61.4 -37.2 53.0 -31.8 -10.7 48 37 A D H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.908 108.3 52.1 -64.0 -40.6 53.1 -35.5 -10.0 49 38 A E H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.888 111.5 47.0 -62.3 -38.2 51.5 -34.8 -6.5 50 39 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.940 111.3 50.8 -66.3 -48.1 48.7 -32.8 -8.2 51 40 A K H X S+ 0 0 76 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.946 110.8 48.3 -57.3 -48.9 48.1 -35.5 -10.8 52 41 A R H X S+ 0 0 115 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.946 111.6 50.7 -54.7 -47.5 47.8 -38.2 -8.1 53 42 A R H X S+ 0 0 60 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.878 106.9 53.9 -61.9 -35.5 45.4 -36.0 -6.2 54 43 A I H < S+ 0 0 30 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.906 108.5 49.5 -62.5 -42.1 43.2 -35.4 -9.3 55 44 A E H < S+ 0 0 141 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.873 109.8 50.7 -63.6 -38.3 43.0 -39.2 -9.7 56 45 A E H < S- 0 0 104 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.812 100.4-152.0 -67.4 -32.9 42.0 -39.5 -6.0 57 46 A Y < - 0 0 69 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.950 3.3-138.6 63.5 69.8 39.4 -36.8 -6.7 58 47 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.217 10.0-160.6 -61.6 138.2 38.8 -35.0 -3.4 59 48 A R S S+ 0 0 183 1,-0.1 2,-0.3 24,-0.1 -2,-0.0 0.485 76.7 26.8-101.2 -5.5 35.1 -34.3 -2.8 60 49 A E S S- 0 0 88 23,-0.1 2,-0.7 26,-0.0 25,-0.2 -0.977 84.4-110.1-148.1 161.5 35.8 -31.5 -0.3 61 50 A I B +l 85 0B 0 23,-2.9 25,-2.0 -2,-0.3 26,-0.6 -0.820 48.3 142.7-104.2 111.8 38.7 -29.1 0.3 62 51 A N S S+ 0 0 62 -2,-0.7 -1,-0.2 1,-0.3 28,-0.1 0.614 72.2 26.1-111.4 -27.4 40.7 -29.7 3.5 63 52 A E S >> S- 0 0 104 1,-0.1 3,-1.4 27,-0.0 4,-1.3 -0.954 84.8-105.2-134.6 156.6 44.2 -28.8 2.2 64 53 A P H 3> S+ 0 0 34 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.898 118.4 58.9 -46.9 -45.9 45.6 -26.5 -0.6 65 54 A I H 3> S+ 0 0 31 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.819 100.6 56.6 -55.7 -31.5 46.4 -29.5 -2.8 66 55 A D H <> S+ 0 0 2 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.913 110.0 44.7 -64.8 -47.1 42.7 -30.5 -2.8 67 56 A F H X S+ 0 0 0 -4,-1.3 4,-2.8 -3,-0.4 5,-0.2 0.951 114.8 47.7 -62.2 -50.7 41.7 -27.2 -4.2 68 57 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.904 112.2 49.5 -58.2 -43.3 44.5 -27.2 -6.8 69 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.973 115.6 42.2 -64.4 -47.3 43.7 -30.8 -7.9 70 59 A R H X S+ 0 0 18 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.897 115.8 49.3 -69.3 -38.4 40.0 -30.1 -8.3 71 60 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.957 111.3 48.1 -64.8 -49.1 40.5 -26.7 -10.0 72 61 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.896 111.3 51.8 -57.1 -41.7 43.1 -28.0 -12.5 73 62 A H H X S+ 0 0 46 -4,-2.2 4,-1.8 -5,-0.3 6,-0.3 0.937 111.3 48.1 -59.4 -47.4 40.7 -30.9 -13.4 74 63 A T H X>S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 5,-1.3 0.900 112.2 48.3 -55.4 -47.6 37.9 -28.3 -13.9 75 64 A L H <5S+ 0 0 0 -4,-2.7 118,-0.3 1,-0.2 -1,-0.2 0.867 109.8 51.5 -67.3 -40.8 40.2 -26.1 -16.1 76 65 A K H <5S+ 0 0 81 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 120.2 34.9 -66.1 -33.8 41.4 -29.0 -18.3 77 66 A L H <5S- 0 0 86 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.646 100.3-132.8 -93.9 -16.4 37.8 -30.2 -19.0 78 67 A G T <5 + 0 0 2 -4,-1.7 -3,-0.2 1,-0.2 -4,-0.1 0.683 57.7 144.9 70.6 20.0 36.3 -26.7 -19.0 79 68 A K < - 0 0 108 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.1 -0.803 50.0-127.7-100.4 120.7 33.6 -28.0 -16.7 80 69 A P + 0 0 78 0, 0.0 2,-0.3 0, 0.0 117,-0.2 -0.282 36.8 173.5 -60.5 149.8 32.1 -25.7 -14.0 81 70 A A E - m 0 197B 21 115,-1.2 117,-3.0 2,-0.0 2,-0.4 -0.981 28.4-143.4-155.9 159.3 32.1 -27.3 -10.5 82 71 A A E + m 0 198B 69 -2,-0.3 117,-0.2 115,-0.2 91,-0.0 -1.000 19.0 179.8-132.4 124.5 31.4 -26.4 -6.9 83 72 A V E - m 0 199B 1 115,-3.1 117,-0.6 -2,-0.4 -23,-0.1 -0.998 25.1-125.5-130.5 125.0 33.6 -27.9 -4.1 84 73 A P E - m 0 200B 40 0, 0.0 -23,-2.9 0, 0.0 2,-0.6 -0.434 11.6-137.4 -71.0 139.9 32.9 -27.2 -0.3 85 74 A L E +lm 61 201B 1 115,-3.7 117,-2.7 -25,-0.2 -23,-0.2 -0.899 25.2 175.1 -91.6 121.8 35.7 -25.8 1.8 86 75 A V + 0 0 35 -25,-2.0 2,-0.4 -2,-0.6 118,-0.3 0.204 56.1 78.2-114.8 14.3 35.5 -27.7 5.1 87 76 A N > - 0 0 36 -26,-0.6 3,-1.8 1,-0.1 4,-0.3 -0.901 56.7-165.2-128.3 106.3 38.6 -26.2 6.8 88 77 A E T > S+ 0 0 74 -2,-0.4 3,-1.9 1,-0.3 4,-0.4 0.841 85.9 68.9 -58.0 -34.6 38.4 -22.8 8.3 89 78 A K T >> S+ 0 0 165 1,-0.3 3,-0.8 2,-0.1 4,-0.6 0.776 87.0 68.3 -58.5 -23.1 42.1 -22.5 8.6 90 79 A M H <> S+ 0 0 9 -3,-1.8 4,-2.7 1,-0.2 5,-0.3 0.636 75.0 83.8 -73.5 -14.0 42.4 -22.3 4.7 91 80 A N H <> S+ 0 0 6 -3,-1.9 4,-2.5 -4,-0.3 -1,-0.2 0.913 92.6 49.5 -48.1 -45.9 40.7 -18.8 4.6 92 81 A E H <> S+ 0 0 126 -3,-0.8 4,-2.0 -4,-0.4 -1,-0.2 0.891 109.7 51.2 -62.7 -40.2 44.1 -17.4 5.3 93 82 A W H X S+ 0 0 35 -4,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.948 111.6 45.7 -61.8 -52.0 45.7 -19.4 2.5 94 83 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.934 114.3 49.8 -55.8 -46.2 43.1 -18.3 -0.0 95 84 A D H < S+ 0 0 50 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.806 114.4 42.8 -68.6 -30.7 43.5 -14.7 1.1 96 85 A K H < S+ 0 0 162 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.756 117.7 47.7 -81.7 -24.9 47.3 -14.7 0.9 97 86 A T H < S+ 0 0 52 -4,-2.0 2,-0.3 -5,-0.2 -2,-0.2 0.859 112.0 42.5 -87.1 -35.4 47.3 -16.6 -2.4 98 87 A F < - 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