==== 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 18-JUN-06 2HCR . COMPND 2 MOLECULE: RIBOSE-PHOSPHATE PYROPHOSPHOKINASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LI,B.PENG,J.DING . 613 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 3.6 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 50 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 1 1 1 0 1 2 3 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 9 4 0 2 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 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 0 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 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 3 A N 0 0 121 0, 0.0 49,-4.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -28.7 -95.5 52.6 -25.1 2 4 A I E +a 50 0A 33 47,-0.2 2,-0.4 49,-0.1 49,-0.2 -0.801 360.0 179.8 -98.5 136.0 -98.5 50.9 -26.7 3 5 A K E -a 51 0A 40 47,-2.2 49,-3.2 -2,-0.4 2,-0.5 -0.990 10.7-161.8-135.5 126.4 -101.2 52.7 -28.7 4 6 A I E -a 52 0A 1 20,-0.4 22,-3.6 -2,-0.4 2,-0.3 -0.940 11.8-176.9-107.8 125.7 -104.3 51.3 -30.4 5 7 A F E -a 53 0A 0 47,-3.0 49,-2.9 -2,-0.5 2,-0.3 -0.881 12.8-143.3-116.1 151.8 -106.0 53.4 -33.1 6 8 A S E -a 54 0A 1 20,-0.4 2,-0.5 -2,-0.3 49,-0.2 -0.873 17.6-114.9-115.4 149.1 -109.2 52.5 -35.0 7 9 A G - 0 0 2 47,-1.9 50,-0.4 -2,-0.3 3,-0.3 -0.713 60.8 -60.3 -82.6 125.5 -110.2 53.1 -38.6 8 10 A S S S- 0 0 19 -2,-0.5 23,-0.1 1,-0.2 -2,-0.1 0.177 102.1 -16.9 42.4-143.1 -113.2 55.5 -39.2 9 11 A S S S+ 0 0 108 2,-0.1 2,-0.6 21,-0.1 -1,-0.2 0.777 112.4 83.4 -75.5 -32.0 -116.8 55.0 -37.9 10 12 A H + 0 0 20 -3,-0.3 -3,-0.1 1,-0.2 48,-0.1 -0.653 43.4 147.0 -71.1 116.5 -116.6 51.3 -37.0 11 13 A Q > + 0 0 85 -2,-0.6 4,-3.1 46,-0.1 5,-0.2 0.359 38.7 99.6-127.4 -1.4 -115.0 51.1 -33.6 12 14 A D H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.923 90.7 35.3 -59.8 -55.2 -116.8 48.1 -32.2 13 15 A L H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.934 119.9 52.1 -61.3 -47.8 -114.0 45.5 -32.7 14 16 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.818 109.8 48.9 -57.4 -37.4 -111.4 48.2 -32.0 15 17 A Q H X S+ 0 0 68 -4,-3.1 4,-2.9 2,-0.2 -1,-0.2 0.922 109.5 51.8 -68.1 -46.0 -113.1 49.1 -28.7 16 18 A K H X S+ 0 0 64 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.908 112.1 46.8 -57.4 -44.6 -113.3 45.4 -27.7 17 19 A I H X S+ 0 0 0 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.941 113.5 47.4 -61.8 -50.0 -109.6 45.0 -28.3 18 20 A A H <>S+ 0 0 0 -4,-2.2 5,-3.0 1,-0.2 4,-0.3 0.855 111.0 53.1 -61.5 -36.7 -108.8 48.3 -26.4 19 21 A D H ><5S+ 0 0 98 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.939 105.8 52.4 -59.5 -50.5 -111.0 47.1 -23.5 20 22 A R H 3<5S+ 0 0 106 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.696 112.5 46.2 -63.7 -19.5 -109.2 43.8 -23.2 21 23 A L T 3<5S- 0 0 35 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.380 113.8-113.2-105.1 1.7 -105.9 45.5 -23.0 22 24 A G T < 5S+ 0 0 72 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.809 76.5 122.1 72.2 32.5 -107.0 48.2 -20.4 23 25 A L < - 0 0 49 -5,-3.0 2,-0.4 -6,-0.1 -1,-0.3 -0.863 60.5-129.6-126.8 153.9 -106.5 51.0 -22.9 24 26 A E - 0 0 165 -2,-0.3 -20,-0.4 -3,-0.1 2,-0.1 -0.797 42.4-100.7 -93.0 146.3 -108.5 53.8 -24.5 25 27 A L - 0 0 24 -2,-0.4 -20,-0.2 1,-0.1 3,-0.1 -0.450 45.9-103.0 -60.2 136.4 -108.4 54.0 -28.3 26 28 A G - 0 0 4 -22,-3.6 2,-0.5 -2,-0.1 -20,-0.4 -0.304 39.6-102.5 -58.4 146.7 -106.0 56.7 -29.5 27 29 A K + 0 0 136 -22,-0.1 16,-2.3 -3,-0.1 17,-0.4 -0.638 54.9 155.2 -79.9 126.0 -107.6 60.0 -30.6 28 30 A V E -E 42 0B 30 -2,-0.5 2,-0.7 14,-0.2 14,-0.2 -0.991 40.1-134.6-149.6 140.9 -107.7 60.3 -34.4 29 31 A V E +E 41 0B 70 12,-2.8 12,-1.8 -2,-0.3 2,-0.6 -0.914 27.5 177.4 -99.3 110.9 -109.9 62.2 -36.9 30 32 A T E +E 40 0B 26 -2,-0.7 10,-0.2 10,-0.2 2,-0.2 -0.902 24.7 124.7-119.2 101.2 -110.8 59.9 -39.7 31 33 A K E -E 39 0B 143 8,-2.4 8,-2.7 -2,-0.6 2,-0.4 -0.624 54.2-103.5-134.7-171.0 -113.1 61.5 -42.3 32 34 A K E -E 38 0B 90 6,-0.3 6,-0.2 -2,-0.2 5,-0.1 -0.994 28.9-128.2-123.2 138.0 -113.5 62.3 -46.0 33 35 A F > - 0 0 112 4,-3.4 3,-1.9 -2,-0.4 6,-0.1 -0.209 41.4 -91.2 -67.0 171.3 -113.0 65.7 -47.5 34 36 A S T 3 S+ 0 0 132 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.883 127.4 53.3 -54.0 -41.8 -115.8 67.2 -49.7 35 37 A N T 3 S- 0 0 101 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.235 124.2 -99.8 -84.4 13.9 -114.2 65.7 -52.9 36 38 A Q S < S+ 0 0 130 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.358 75.8 143.9 88.0 -4.3 -114.1 62.1 -51.4 37 39 A E - 0 0 118 1,-0.1 -4,-3.4 -5,-0.1 -1,-0.3 -0.482 58.0-106.9 -68.7 135.8 -110.4 62.3 -50.4 38 40 A T E -E 32 0B 26 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.3 -0.470 32.2-157.6 -68.9 124.1 -109.6 60.5 -47.2 39 41 A C E +E 31 0B 21 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.4 -0.914 15.5 174.1-103.6 126.5 -108.8 62.9 -44.3 40 42 A V E +E 30 0B 21 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -1.000 9.0 174.5-133.3 135.3 -106.7 61.6 -41.4 41 43 A E E -E 29 0B 132 -12,-1.8 -12,-2.8 -2,-0.4 2,-0.6 -0.922 26.0-139.6-140.1 116.3 -105.3 63.5 -38.4 42 44 A I E -E 28 0B 33 -2,-0.3 -14,-0.2 -14,-0.2 4,-0.1 -0.636 14.7-156.7 -73.2 114.6 -103.5 61.8 -35.5 43 45 A G + 0 0 44 -16,-2.3 2,-0.3 -2,-0.6 -15,-0.2 0.442 67.3 31.6 -80.3 -0.4 -104.8 63.6 -32.4 44 46 A E S S- 0 0 44 -17,-0.4 2,-0.1 -18,-0.0 -18,-0.0 -0.967 93.8 -79.7-149.6 162.3 -101.9 62.8 -30.1 45 47 A S + 0 0 87 -2,-0.3 34,-0.1 1,-0.1 -2,-0.1 -0.435 32.6 177.1 -64.4 133.2 -98.1 62.1 -30.1 46 48 A V > + 0 0 1 32,-0.4 3,-2.2 -2,-0.1 35,-0.5 0.220 30.5 143.6-116.5 8.0 -97.1 58.6 -31.2 47 49 A R T 3 S- 0 0 168 1,-0.3 33,-0.3 33,-0.2 32,-0.2 -0.290 77.0 -1.4 -55.5 118.4 -93.3 59.4 -31.0 48 50 A G T 3 S+ 0 0 38 31,-2.6 -1,-0.3 1,-0.3 2,-0.2 0.552 105.8 130.6 77.9 10.2 -91.4 56.4 -29.7 49 51 A E < - 0 0 40 -3,-2.2 33,-1.6 30,-0.1 32,-1.3 -0.640 65.5-121.0-102.3 154.9 -94.6 54.3 -29.4 50 52 A D E -ab 2 82A 3 -49,-4.4 -47,-2.2 -2,-0.2 2,-0.4 -0.816 42.9-160.6 -89.5 101.6 -95.6 50.8 -30.4 51 53 A V E -ab 3 83A 0 31,-2.9 33,-2.9 -2,-0.9 2,-0.5 -0.711 17.3-169.9-100.0 135.5 -98.6 51.6 -32.6 52 54 A Y E -ab 4 84A 0 -49,-3.2 -47,-3.0 -2,-0.4 2,-0.6 -0.984 4.3-165.5-121.9 119.5 -101.4 49.2 -33.6 53 55 A I E -ab 5 85A 0 31,-2.6 33,-3.0 -2,-0.5 2,-0.6 -0.931 9.4-152.2-106.3 119.4 -104.0 50.4 -36.3 54 56 A V E -ab 6 86A 0 -49,-2.9 -47,-1.9 -2,-0.6 33,-0.2 -0.831 25.1-116.6 -94.9 118.1 -107.1 48.2 -36.5 55 57 A Q - 0 0 22 31,-2.7 -41,-0.1 -2,-0.6 10,-0.1 -0.170 35.6-107.2 -52.4 138.5 -108.6 48.3 -40.0 56 58 A S - 0 0 5 8,-0.3 -48,-0.1 -50,-0.1 -1,-0.1 0.016 8.8-142.7 -65.1 170.5 -112.1 49.8 -40.2 57 59 A G + 0 0 22 -50,-0.4 -46,-0.1 -47,-0.1 -1,-0.1 -0.218 60.3 121.3-125.7 41.1 -115.5 48.1 -40.8 58 60 A C S S- 0 0 56 2,-0.1 2,-3.1 -48,-0.1 -1,-0.1 -0.040 70.2-128.4-102.6 29.2 -117.1 50.7 -43.0 59 61 A G S S+ 0 0 73 1,-0.1 2,-1.1 -3,-0.1 3,-0.1 -0.130 78.8 105.0 69.4 -48.5 -117.8 48.5 -46.0 60 62 A E > - 0 0 93 -2,-3.1 4,-2.6 1,-0.2 5,-0.2 -0.597 56.8-162.8 -73.8 100.7 -116.2 50.6 -48.8 61 63 A I H > S+ 0 0 74 -2,-1.1 4,-2.7 1,-0.2 -1,-0.2 0.842 82.7 48.0 -57.8 -43.3 -113.0 48.5 -49.3 62 64 A N H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.880 113.4 47.2 -68.8 -39.8 -111.0 51.2 -51.1 63 65 A D H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.898 114.4 48.1 -63.4 -45.1 -111.8 54.0 -48.7 64 66 A N H X S+ 0 0 19 -4,-2.6 4,-2.4 2,-0.2 -8,-0.3 0.925 113.1 47.8 -63.2 -43.8 -111.0 51.6 -45.8 65 67 A L H X S+ 0 0 16 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.935 114.2 45.5 -61.0 -50.2 -107.7 50.6 -47.4 66 68 A M H X S+ 0 0 93 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.907 111.8 53.0 -60.5 -41.8 -106.7 54.2 -48.2 67 69 A E H X S+ 0 0 12 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.920 110.6 47.8 -58.2 -45.5 -107.6 55.2 -44.6 68 70 A L H X S+ 0 0 7 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.904 112.5 47.8 -59.4 -46.3 -105.4 52.5 -43.2 69 71 A L H X S+ 0 0 16 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.872 112.2 49.2 -66.6 -38.2 -102.5 53.4 -45.4 70 72 A I H X S+ 0 0 47 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.883 110.3 50.9 -68.7 -40.2 -102.7 57.1 -44.6 71 73 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.943 110.9 48.6 -61.8 -49.4 -102.9 56.3 -40.9 72 74 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.926 113.5 47.9 -52.3 -49.8 -99.8 54.1 -41.1 73 75 A N H X S+ 0 0 75 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.922 111.0 49.2 -60.4 -49.3 -98.0 56.9 -43.1 74 76 A A H X S+ 0 0 25 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.888 114.0 46.8 -58.2 -43.5 -99.0 59.6 -40.6 75 77 A C H <>S+ 0 0 0 -4,-2.4 5,-2.0 -5,-0.2 3,-0.2 0.893 111.7 50.8 -65.4 -42.4 -97.8 57.5 -37.7 76 78 A K H ><5S+ 0 0 66 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.892 112.4 44.3 -66.0 -42.1 -94.5 56.6 -39.4 77 79 A I H 3<5S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.591 105.5 64.8 -79.8 -9.3 -93.6 60.2 -40.2 78 80 A A T 3<5S- 0 0 37 -4,-0.7 -32,-0.4 -3,-0.2 -1,-0.3 0.083 123.0-106.2 -94.5 17.4 -94.6 61.2 -36.7 79 81 A S T < 5 + 0 0 54 -3,-1.1 -31,-2.6 1,-0.2 -3,-0.2 0.743 52.9 176.0 67.2 31.9 -91.8 59.0 -35.4 80 82 A A < - 0 0 10 -5,-2.0 -1,-0.2 -33,-0.3 -33,-0.2 -0.389 33.0-133.7 -57.3 143.0 -93.7 56.0 -34.1 81 83 A S S S- 0 0 83 -32,-1.3 2,-0.3 -35,-0.5 -31,-0.2 0.896 84.0 -4.0 -67.2 -41.4 -91.2 53.3 -32.9 82 84 A R E -b 50 0A 79 -33,-1.6 -31,-2.9 2,-0.0 2,-0.5 -0.984 62.9-151.9-154.4 141.7 -93.1 50.5 -34.7 83 85 A V E -b 51 0A 0 -2,-0.3 37,-3.5 35,-0.3 38,-0.9 -0.973 11.5-173.0-124.5 120.6 -96.4 50.4 -36.7 84 86 A T E -bc 52 121A 0 -33,-2.9 -31,-2.6 -2,-0.5 2,-0.6 -0.922 15.5-144.9-112.5 131.8 -98.5 47.2 -36.9 85 87 A A E -bc 53 122A 0 36,-2.4 38,-2.6 -2,-0.5 2,-0.7 -0.876 9.0-160.3 -94.8 120.7 -101.5 46.8 -39.2 86 88 A V E +bc 54 123A 0 -33,-3.0 -31,-2.7 -2,-0.6 38,-0.2 -0.908 18.5 170.5-103.4 106.2 -104.2 44.7 -37.6 87 89 A I E - c 0 124A 1 36,-3.1 38,-0.6 -2,-0.7 3,-0.1 -0.796 15.1-175.0-125.8 85.9 -106.4 43.6 -40.5 88 90 A P S S+ 0 0 0 0, 0.0 37,-1.3 0, 0.0 2,-0.6 0.886 84.4 31.5 -50.8 -49.9 -108.9 41.0 -39.4 89 91 A C S S- 0 0 19 178,-0.4 37,-0.1 35,-0.1 38,-0.1 -0.942 91.2-135.6-112.6 109.2 -110.2 40.4 -43.0 90 92 A F > - 0 0 8 -2,-0.6 3,-1.2 35,-0.4 38,-0.2 -0.512 21.7-126.5 -69.4 118.5 -107.4 41.0 -45.5 91 93 A P T 3 S+ 0 0 16 0, 0.0 19,-0.1 0, 0.0 -1,-0.1 -0.385 86.6 10.3 -66.6 141.5 -108.6 43.0 -48.5 92 94 A Y T > S+ 0 0 79 1,-0.1 3,-1.5 -2,-0.1 15,-0.4 0.550 80.6 138.1 69.9 14.4 -108.1 41.7 -52.1 93 95 A A T < + 0 0 4 -3,-1.2 3,-0.2 1,-0.3 14,-0.1 0.773 65.6 60.8 -61.4 -30.5 -107.0 38.2 -50.7 94 96 A R T 3 S+ 0 0 119 1,-0.2 2,-0.9 2,-0.1 -1,-0.3 0.674 94.1 66.8 -70.1 -19.9 -109.1 36.4 -53.4 95 97 A Q < + 0 0 75 -3,-1.5 12,-2.5 1,-0.2 13,-0.4 -0.567 64.7 122.3 -96.1 67.5 -106.9 38.2 -56.1 96 98 A D + 0 0 0 -2,-0.9 345,-0.3 -3,-0.2 2,-0.3 0.303 69.3 30.4-113.8 5.4 -103.8 36.3 -55.1 97 99 A K S S- 0 0 34 7,-0.2 9,-0.2 -3,-0.2 341,-0.1 -0.974 75.6-117.5-156.5 160.4 -103.0 34.7 -58.5 98 100 A K > - 0 0 56 339,-0.3 3,-1.5 -2,-0.3 5,-0.2 0.813 37.3-155.6 -70.4 -33.2 -103.4 35.4 -62.2 99 101 A D T 3 - 0 0 94 1,-0.3 3,-0.1 3,-0.1 -2,-0.0 0.885 66.7 -54.9 59.5 46.3 -105.6 32.3 -62.6 100 102 A K T 3 S+ 0 0 76 1,-0.2 -1,-0.3 349,-0.1 2,-0.2 0.315 119.2 103.3 70.0 -6.1 -104.8 31.9 -66.4 101 103 A S S < S- 0 0 76 -3,-1.5 2,-2.0 3,-0.1 -1,-0.2 -0.613 89.5-106.7 -99.8 162.0 -105.9 35.5 -67.1 102 104 A R S S+ 0 0 213 -2,-0.2 -3,-0.1 -3,-0.1 -4,-0.0 -0.513 76.4 147.2 -76.7 65.2 -103.9 38.8 -67.8 103 105 A A - 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