==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-98 1A7J . COMPND 2 MOLECULE: PHOSPHORIBULOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR D.H.T.HARRISON,J.RUNQUIST,A.HOLUB,H.MIZIORKO . 279 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 9.3 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 0 0 0 1 1 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 . 2 1 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 S > 0 0 41 0, 0.0 3,-1.2 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0-147.8 32.0 76.4 35.4 2 3 A K T 3 + 0 0 154 1,-0.3 276,-0.1 2,-0.2 83,-0.0 0.875 360.0 25.8 -49.5 -39.4 34.4 75.5 38.2 3 4 A K T 3 S+ 0 0 58 1,-0.2 -1,-0.3 82,-0.2 276,-0.1 0.335 139.1 27.8-110.9 4.6 35.7 79.1 38.1 4 5 A H S < S- 0 0 50 -3,-1.2 -1,-0.2 2,-0.0 -2,-0.2 -0.370 87.7-155.5-156.6 61.2 32.6 80.8 36.6 5 6 A P - 0 0 2 0, 0.0 115,-1.9 0, 0.0 2,-0.5 -0.092 3.8-155.6 -56.9 136.4 29.6 78.6 37.7 6 7 A I E -a 120 0A 1 113,-0.2 135,-1.1 133,-0.2 136,-1.1 -0.990 4.2-158.1-107.6 123.9 26.5 78.6 35.6 7 8 A I E -ab 121 142A 1 113,-2.3 115,-2.4 -2,-0.5 2,-0.5 -0.922 11.3-163.3 -99.0 136.3 23.2 77.7 37.4 8 9 A S E -ab 122 143A 0 134,-2.4 136,-2.9 -2,-0.4 2,-0.5 -0.938 13.4-172.4-137.2 109.3 20.4 76.5 35.1 9 10 A V E -ab 123 144A 0 113,-2.4 115,-2.2 -2,-0.5 2,-0.3 -0.867 17.3-176.3 -98.1 119.4 16.7 76.2 35.9 10 11 A T E +ab 124 145A 0 134,-2.8 136,-2.6 -2,-0.5 115,-0.3 -0.887 51.3 35.7-122.5 148.7 14.7 74.4 33.2 11 12 A G S S+ 0 0 17 113,-1.2 2,-0.5 -2,-0.3 114,-0.2 -0.129 88.5 92.2 111.9 -37.3 11.0 73.7 32.7 12 13 A S 0 0 10 112,-0.4 -1,-0.1 135,-0.1 135,-0.1 -0.842 360.0 360.0-103.4 123.0 9.3 76.8 34.2 13 14 A S 0 0 47 -2,-0.5 3,-0.1 -3,-0.1 111,-0.1 -0.917 360.0 360.0-170.5 360.0 8.3 80.0 32.4 14 ! 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 15 18 A T 0 0 84 0, 0.0 141,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.0 4.9 80.7 36.2 16 19 A S > + 0 0 57 -3,-0.1 3,-1.1 2,-0.0 4,-0.5 0.246 360.0 136.5 176.0 30.4 8.2 82.2 37.7 17 20 A T T 3> + 0 0 75 1,-0.2 4,-0.9 2,-0.1 3,-0.1 0.733 69.2 80.8 -48.5 -20.2 8.0 82.4 41.6 18 21 A V H 3> S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.782 75.6 58.3 -76.1 -34.8 11.5 81.1 41.1 19 22 A K H <> S+ 0 0 55 -3,-1.1 4,-3.0 1,-0.2 3,-0.3 0.953 101.1 56.9 -63.2 -46.8 13.6 84.1 40.3 20 23 A H H > S+ 0 0 133 -4,-0.5 4,-3.0 1,-0.3 -1,-0.2 0.852 105.4 54.8 -53.1 -36.9 12.7 86.0 43.5 21 24 A T H X S+ 0 0 1 -4,-0.9 4,-1.1 -3,-0.2 -1,-0.3 0.930 109.8 42.6 -65.4 -50.1 14.0 83.0 45.4 22 25 A F H >X S+ 0 0 0 -4,-1.6 4,-3.1 -3,-0.3 3,-1.4 0.971 113.1 54.0 -63.9 -42.4 17.5 83.0 43.8 23 26 A D H 3X S+ 0 0 66 -4,-3.0 4,-2.4 1,-0.3 5,-0.3 0.947 105.7 54.2 -49.5 -53.3 17.6 86.7 44.1 24 27 A Q H 3X S+ 0 0 41 -4,-3.0 4,-1.2 1,-0.2 -1,-0.3 0.722 113.7 42.6 -52.0 -30.4 16.9 86.3 47.8 25 28 A I H S+ 0 0 11 -4,-3.1 5,-0.8 2,-0.2 4,-0.6 0.764 117.6 44.8 -62.5 -28.3 22.4 85.8 45.9 27 30 A R H <5S+ 0 0 161 -4,-2.4 3,-0.4 -5,-0.4 -1,-0.2 0.889 112.6 50.6 -78.7 -42.7 21.5 88.9 48.0 28 31 A R H <5S+ 0 0 109 -4,-1.2 -2,-0.2 -5,-0.3 -3,-0.2 0.749 122.3 33.6 -61.2 -29.7 21.7 86.8 51.2 29 32 A E H <5S- 0 0 64 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.409 108.0-113.1-115.2 0.3 25.1 85.5 50.2 30 33 A G T <5 + 0 0 56 -4,-0.6 2,-0.8 -3,-0.4 -3,-0.2 0.581 57.6 158.7 80.2 10.1 26.7 88.4 48.3 31 34 A V < - 0 0 7 -5,-0.8 2,-0.6 -6,-0.3 -1,-0.2 -0.571 34.3-147.5 -72.2 103.8 26.7 86.5 45.0 32 35 A K - 0 0 122 -2,-0.8 86,-3.1 84,-0.2 87,-1.0 -0.701 29.2-168.2 -71.2 118.5 26.9 89.1 42.2 33 36 A A E -c 119 0A 24 -2,-0.6 2,-0.3 84,-0.2 87,-0.2 -0.947 26.6-161.6-127.3 128.7 24.9 87.5 39.4 34 37 A V E -c 120 0A 6 85,-1.7 87,-1.4 -2,-0.4 2,-0.3 -0.685 26.2-158.9 -92.1 156.5 24.2 88.0 35.7 35 38 A S E -c 121 0A 44 -2,-0.3 2,-0.4 85,-0.2 87,-0.2 -0.884 19.4-148.9-142.3 158.0 21.1 86.4 34.3 36 39 A I E -c 122 0A 2 85,-2.2 87,-1.8 -2,-0.3 2,-0.6 -0.996 13.6-147.0-126.2 120.8 19.5 85.1 31.1 37 40 A E E > -c 123 0A 90 56,-0.4 3,-2.3 -2,-0.4 56,-0.2 -0.906 20.8-134.5 -79.3 124.9 15.7 85.1 30.6 38 41 A G G > S+ 0 0 8 85,-3.0 3,-1.3 -2,-0.6 86,-0.1 0.691 100.3 68.2 -61.3 -19.9 15.0 82.1 28.4 39 42 A D G > S+ 0 0 31 1,-0.3 3,-1.9 84,-0.2 -1,-0.3 0.863 82.5 76.2 -65.4 -31.7 12.7 84.1 26.2 40 43 A A G < S+ 0 0 0 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.526 92.1 53.7 -58.0 -11.1 15.7 86.0 24.9 41 44 A F G < S+ 0 0 2 -3,-1.3 32,-2.7 -4,-0.2 2,-0.3 0.036 70.3 125.7-121.2 29.0 16.7 83.0 22.7 42 45 A H B < -H 72 0B 13 -3,-1.9 30,-0.3 30,-0.3 29,-0.1 -0.689 60.2-136.0 -72.9 138.3 13.6 82.4 20.7 43 46 A R S S+ 0 0 102 28,-1.6 2,-0.4 -2,-0.3 29,-0.2 0.867 81.1 48.2 -62.7 -36.8 14.5 82.4 17.0 44 47 A F - 0 0 42 27,-0.4 2,-0.1 2,-0.0 -1,-0.1 -0.852 69.8-136.4-120.4 138.9 11.5 84.5 16.1 45 48 A N > - 0 0 32 -2,-0.4 4,-2.1 62,-0.1 5,-0.3 -0.364 54.4 -84.2 -67.3 170.1 9.7 87.6 17.2 46 49 A R H > S+ 0 0 129 59,-1.3 4,-3.1 1,-0.2 5,-0.3 0.892 127.1 44.5 -51.7 -52.1 5.9 87.3 17.3 47 50 A A H > S+ 0 0 62 58,-0.4 4,-2.6 1,-0.3 5,-0.2 0.934 112.9 51.2 -62.3 -46.8 5.1 88.0 13.6 48 51 A D H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.843 115.8 41.3 -58.1 -37.4 7.9 85.8 12.3 49 52 A M H X S+ 0 0 8 -4,-2.1 4,-2.4 -3,-0.3 -1,-0.2 0.941 111.3 53.0 -79.7 -44.1 6.7 82.9 14.4 50 53 A K H < S+ 0 0 118 -4,-3.1 4,-0.4 1,-0.3 -2,-0.2 0.892 117.1 43.3 -59.7 -29.6 3.0 83.4 13.8 51 54 A A H >X S+ 0 0 51 -4,-2.6 4,-1.5 -5,-0.3 3,-1.3 0.911 106.8 58.2 -81.2 -40.9 4.1 83.4 10.2 52 55 A E H 3X S+ 0 0 27 -4,-2.5 4,-1.3 1,-0.3 -2,-0.2 0.830 105.8 53.6 -60.6 -24.8 6.4 80.4 10.6 53 56 A L H 3X S+ 0 0 30 -4,-2.4 4,-1.7 1,-0.2 -1,-0.3 0.620 103.7 52.0 -85.2 -22.8 3.4 78.5 11.8 54 57 A D H <4 S+ 0 0 118 -3,-1.3 4,-0.4 -4,-0.4 -1,-0.2 0.737 108.1 52.0 -85.6 -24.9 1.1 79.1 8.9 55 58 A R H X S+ 0 0 153 -4,-1.5 4,-1.3 2,-0.2 3,-0.2 0.862 113.6 45.8 -66.3 -50.6 3.8 77.9 6.4 56 59 A R H >X>S+ 0 0 50 -4,-1.3 4,-1.9 -5,-0.2 5,-1.7 0.977 110.8 50.6 -55.0 -58.0 4.1 74.8 8.4 57 60 A Y H 3<5S+ 0 0 67 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.600 109.7 52.8 -64.9 -9.9 0.4 74.3 8.7 58 61 A A H 345S+ 0 0 91 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.756 109.4 48.7 -87.0 -30.9 0.2 74.7 4.9 59 62 A A H <<5S- 0 0 87 -4,-1.3 -2,-0.2 -3,-1.1 -3,-0.1 0.767 128.2 -96.2 -77.1 -26.7 2.8 72.0 4.4 60 63 A G T <5S+ 0 0 73 -4,-1.9 2,-0.8 -5,-0.1 -3,-0.2 0.570 77.7 141.0 119.0 31.7 1.1 69.6 6.8 61 64 A D > < + 0 0 48 -5,-1.7 2,-0.9 -6,-0.1 3,-0.7 -0.714 17.8 160.0-123.8 79.2 3.0 70.3 9.9 62 65 A A T 3 + 0 0 51 -2,-0.8 119,-0.2 1,-0.2 -1,-0.1 -0.347 64.8 79.3 -93.7 52.2 1.2 70.4 13.2 63 66 A T T 3 + 0 0 53 -2,-0.9 2,-0.4 118,-0.1 119,-0.3 0.360 59.4 105.2-135.8 -3.4 4.4 70.0 15.2 64 67 A F < + 0 0 0 -3,-0.7 2,-0.3 -11,-0.1 117,-0.0 -0.746 41.0 132.6 -85.8 133.3 6.1 73.3 15.3 65 68 A S S > S- 0 0 0 -2,-0.4 3,-1.7 114,-0.1 6,-0.3 -0.968 70.5 -79.1-160.6 178.2 6.0 75.3 18.6 66 69 A H T 3 S+ 0 0 75 1,-0.3 -2,-0.0 -2,-0.3 113,-0.0 0.440 123.2 61.6 -61.8 -10.0 8.1 77.3 21.1 67 70 A F T 3 S+ 0 0 14 112,-0.0 -1,-0.3 5,-0.0 -3,-0.1 0.721 82.2 95.0 -85.9 -34.1 9.2 73.9 22.6 68 71 A S S X S- 0 0 2 -3,-1.7 3,-0.8 1,-0.1 -4,-0.0 -0.289 79.5-127.7 -59.6 150.1 10.9 72.7 19.4 69 72 A Y G > S+ 0 0 45 1,-0.2 3,-1.5 2,-0.1 5,-0.5 0.748 106.2 65.6 -63.6 -31.6 14.7 73.3 19.1 70 73 A E G 3 S+ 0 0 92 1,-0.3 -1,-0.2 -5,-0.1 -4,-0.1 0.711 94.7 59.0 -67.7 -22.3 14.2 74.9 15.6 71 74 A A G < S+ 0 0 1 -3,-0.8 -28,-1.6 -6,-0.3 -27,-0.4 0.178 101.8 70.2 -91.5 18.8 12.3 77.8 17.3 72 75 A N B < S-H 42 0B 4 -3,-1.5 2,-3.7 -30,-0.3 3,-0.3 -0.990 81.4-124.3-143.7 139.9 15.3 78.7 19.5 73 76 A E > + 0 0 39 -32,-2.7 4,-2.1 -2,-0.4 3,-0.3 -0.277 53.2 159.6 -70.5 65.6 18.7 80.2 19.1 74 77 A L H > + 0 0 12 -2,-3.7 4,-2.1 -5,-0.5 -1,-0.2 0.922 62.2 43.9 -68.3 -46.6 20.0 77.1 20.8 75 78 A K H > S+ 0 0 55 -3,-0.3 4,-2.3 2,-0.3 -1,-0.2 0.706 110.4 56.6 -75.0 -22.6 23.7 77.1 19.8 76 79 A E H > S+ 0 0 45 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.927 107.5 49.9 -64.7 -42.1 24.0 80.8 20.6 77 80 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.3 0.905 112.8 46.5 -63.1 -39.8 22.7 79.8 24.0 78 81 A E H X S+ 0 0 35 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.897 109.5 53.9 -65.3 -41.9 25.4 77.1 24.1 79 82 A R H X S+ 0 0 21 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.957 110.4 47.3 -61.2 -41.3 28.0 79.6 22.8 80 83 A V H X S+ 0 0 1 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.859 110.9 49.2 -69.2 -38.1 27.2 81.9 25.7 81 84 A F H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.923 112.5 50.9 -64.2 -41.8 27.2 79.2 28.3 82 85 A R H X S+ 0 0 118 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.895 112.3 47.1 -53.1 -46.2 30.6 78.2 26.8 83 86 A E H X>S+ 0 0 74 -4,-2.3 4,-2.0 2,-0.2 5,-1.0 0.853 108.2 52.6 -73.6 -39.6 31.8 81.8 27.0 84 87 A Y H X5S+ 0 0 0 -4,-2.6 4,-1.5 4,-0.3 -2,-0.2 0.974 105.9 56.4 -58.8 -50.5 30.7 82.5 30.6 85 88 A G H <5S+ 0 0 12 -4,-1.9 -2,-0.2 1,-0.2 -82,-0.2 0.888 117.7 29.9 -45.7 -47.3 32.6 79.4 31.8 86 89 A E H <5S+ 0 0 153 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.843 140.5 4.9 -92.3 -31.1 35.9 80.4 30.5 87 90 A T H <5S- 0 0 66 -4,-2.0 -3,-0.2 2,-0.2 -2,-0.2 0.445 88.1-118.5-133.8 -26.5 36.1 84.2 30.5 88 91 A G S < - 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