==== 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 14-MAY-06 2H08 . 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) . 25465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 437 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 4.1 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 . 59 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 159 25.9 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 0 1 1 2 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 1 2 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 . 3 1 0 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 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 0 122 0, 0.0 49,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -25.9 -95.9 52.9 -24.6 2 4 A I E -a 50 0A 34 47,-0.2 2,-0.4 49,-0.0 49,-0.2 -0.855 360.0-170.2 -96.1 140.6 -98.4 50.8 -26.6 3 5 A K E -a 51 0A 40 47,-2.2 49,-3.1 -2,-0.4 2,-0.5 -0.998 10.2-158.8-135.6 132.5 -101.1 52.7 -28.6 4 6 A I E -a 52 0A 0 20,-0.4 22,-3.6 -2,-0.4 2,-0.3 -0.947 12.0-179.8-111.6 123.7 -104.2 51.4 -30.4 5 7 A F E -a 53 0A 0 47,-3.2 49,-3.0 -2,-0.5 2,-0.4 -0.885 15.6-141.7-115.3 152.9 -105.9 53.4 -33.1 6 8 A S E -a 54 0A 2 20,-0.3 2,-0.5 -2,-0.3 49,-0.2 -0.879 12.4-127.1-111.9 146.4 -109.0 52.4 -35.1 7 9 A G - 0 0 2 47,-2.7 3,-0.4 -2,-0.4 50,-0.3 -0.814 63.4 -37.9 -88.4 128.4 -109.8 53.0 -38.8 8 10 A S S S- 0 0 39 -2,-0.5 -2,-0.0 1,-0.2 56,-0.0 0.232 100.5 -35.0 51.8-170.6 -113.1 54.7 -39.6 9 11 A S S S+ 0 0 103 1,-0.2 2,-2.2 2,-0.1 -1,-0.2 0.632 108.2 90.7 -59.5 -22.9 -116.5 54.4 -38.1 10 12 A H + 0 0 65 -3,-0.4 4,-0.5 1,-0.2 3,-0.3 -0.418 43.7 151.4 -85.7 72.4 -116.4 50.7 -37.2 11 13 A Q > + 0 0 85 -2,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.118 42.7 93.8 -88.0 15.5 -114.9 51.2 -33.7 12 14 A D H > S+ 0 0 66 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.983 86.8 39.2 -77.8 -60.1 -116.5 48.1 -32.3 13 15 A L H > S+ 0 0 13 -3,-0.3 4,-3.0 1,-0.2 5,-0.2 0.937 119.1 49.7 -49.2 -53.4 -113.7 45.5 -32.7 14 16 A S H > S+ 0 0 0 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.801 110.0 50.7 -60.2 -35.8 -111.1 48.1 -31.8 15 17 A Q H X S+ 0 0 75 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.932 111.3 47.8 -65.9 -48.5 -113.1 49.1 -28.6 16 18 A K H X S+ 0 0 69 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.932 114.1 48.2 -55.6 -46.4 -113.3 45.4 -27.6 17 19 A I H X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.935 110.8 49.3 -60.7 -49.0 -109.6 45.1 -28.3 18 20 A A H <>S+ 0 0 0 -4,-2.6 5,-3.5 1,-0.2 4,-0.4 0.816 108.9 54.5 -62.7 -32.0 -108.6 48.2 -26.3 19 21 A D H ><5S+ 0 0 98 -4,-2.1 3,-1.7 3,-0.2 -1,-0.2 0.956 103.8 52.9 -65.5 -50.1 -110.8 47.1 -23.3 20 22 A R H 3<5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.736 113.9 44.6 -59.2 -22.1 -109.0 43.7 -23.0 21 23 A L T 3<5S- 0 0 36 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.467 115.1-115.5-103.3 -4.0 -105.7 45.5 -22.9 22 24 A G T < 5S+ 0 0 70 -3,-1.7 2,-0.3 -4,-0.4 -3,-0.2 0.776 73.9 122.6 76.7 29.7 -106.9 48.1 -20.5 23 25 A L < - 0 0 50 -5,-3.5 2,-0.4 -6,-0.2 -1,-0.3 -0.784 59.0-128.5-120.5 162.0 -106.5 51.0 -22.9 24 26 A E - 0 0 158 -2,-0.3 -20,-0.4 -3,-0.1 3,-0.1 -0.868 42.0 -99.6-101.3 144.1 -108.4 53.7 -24.6 25 27 A L - 0 0 22 -2,-0.4 -20,-0.2 1,-0.1 3,-0.1 -0.369 46.5-102.2 -59.3 136.5 -108.3 54.1 -28.4 26 28 A G - 0 0 5 -22,-3.6 -20,-0.3 1,-0.1 2,-0.3 -0.248 40.7 -98.9 -56.9 150.1 -105.9 56.8 -29.5 27 29 A K + 0 0 138 -22,-0.1 16,-1.8 -3,-0.1 2,-0.4 -0.584 47.0 175.1 -74.0 129.3 -107.4 60.1 -30.6 28 30 A V E -E 42 0B 31 -2,-0.3 2,-0.6 14,-0.2 14,-0.2 -0.937 23.0-147.1-143.0 119.7 -107.7 60.4 -34.4 29 31 A V E -E 41 0B 74 12,-3.0 12,-1.8 -2,-0.4 2,-0.5 -0.757 17.0-174.7 -86.3 120.8 -109.3 63.3 -36.4 30 32 A T - 0 0 52 -2,-0.6 2,-0.5 10,-0.2 10,-0.2 -0.762 2.8-178.8-123.7 83.6 -111.0 62.0 -39.6 31 33 A K - 0 0 146 -2,-0.5 8,-0.8 7,-0.0 2,-0.6 -0.729 17.7-146.1 -87.2 123.6 -112.3 64.8 -41.8 32 34 A K B -F 38 0C 87 -2,-0.5 6,-0.2 6,-0.1 5,-0.1 -0.814 22.6-166.3-101.7 115.6 -114.0 63.5 -45.0 33 35 A F > - 0 0 110 4,-1.9 3,-0.7 -2,-0.6 -1,-0.1 0.446 33.5 -51.6 -84.6-152.4 -113.7 65.7 -48.1 34 36 A S T 3 S+ 0 0 102 1,-0.2 2,-0.3 2,-0.1 -2,-0.0 0.966 124.0 12.6 -47.8 -85.9 -115.0 66.3 -51.6 35 37 A N T 3 S- 0 0 128 1,-0.1 -1,-0.2 3,-0.0 3,-0.1 -0.266 126.7 -72.5-100.3 44.1 -114.9 63.1 -53.5 36 38 A Q S < S+ 0 0 97 -3,-0.7 2,-0.2 -2,-0.3 -2,-0.1 0.521 77.4 167.8 74.9 8.0 -114.3 60.8 -50.6 37 39 A E - 0 0 116 1,-0.1 -4,-1.9 -5,-0.1 2,-0.4 -0.376 36.6-124.7 -53.6 118.7 -110.7 62.1 -50.4 38 40 A T B -F 32 0C 23 -2,-0.2 2,-0.5 -6,-0.2 -6,-0.1 -0.554 28.0-171.6 -80.8 125.4 -109.6 60.7 -47.1 39 41 A C + 0 0 40 -8,-0.8 2,-0.3 -2,-0.4 28,-0.0 -0.981 9.3 171.8-115.3 129.7 -108.3 63.0 -44.4 40 42 A V - 0 0 18 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.970 8.2-176.1-128.6 144.4 -106.8 61.6 -41.2 41 43 A E E -E 29 0B 136 -12,-1.8 -12,-3.0 -2,-0.3 2,-0.7 -0.939 26.6-130.1-143.8 126.7 -104.9 63.3 -38.4 42 44 A I E -E 28 0B 33 -2,-0.3 -14,-0.2 -14,-0.2 4,-0.1 -0.629 17.7-158.3 -71.0 111.7 -103.3 61.7 -35.4 43 45 A G + 0 0 39 -16,-1.8 2,-0.3 -2,-0.7 -15,-0.2 0.208 69.7 37.8 -82.3 14.4 -104.6 63.7 -32.4 44 46 A E S S- 0 0 45 -17,-0.3 2,-0.2 -18,-0.0 -18,-0.0 -0.982 93.9 -85.9-158.8 157.9 -101.8 62.7 -30.1 45 47 A S + 0 0 86 -2,-0.3 34,-0.1 1,-0.1 -2,-0.1 -0.438 31.7 177.3 -67.6 132.5 -98.0 62.1 -30.1 46 48 A V > + 0 0 2 32,-0.4 3,-2.4 -2,-0.2 35,-0.5 0.214 28.6 146.9-116.7 10.5 -97.0 58.6 -31.1 47 49 A R B 3 S-G 80 0D 169 1,-0.3 33,-0.3 33,-0.2 32,-0.2 -0.234 76.3 -1.0 -54.9 124.4 -93.3 59.3 -30.9 48 50 A G T 3 S+ 0 0 43 31,-3.2 -1,-0.3 1,-0.2 2,-0.3 0.638 105.7 133.6 67.0 17.0 -91.3 56.3 -29.8 49 51 A E < - 0 0 42 -3,-2.4 33,-1.8 30,-0.2 32,-1.4 -0.682 64.3-120.9-104.6 156.3 -94.5 54.2 -29.4 50 52 A D E -ab 2 82A 8 -49,-2.7 -47,-2.2 -2,-0.3 2,-0.4 -0.786 42.9-158.7 -87.0 99.0 -95.5 50.7 -30.4 51 53 A V E -ab 3 83A 0 31,-3.1 33,-3.0 -2,-1.0 2,-0.5 -0.674 18.0-172.1 -96.3 134.4 -98.6 51.5 -32.6 52 54 A Y E -ab 4 84A 0 -49,-3.1 -47,-3.2 -2,-0.4 2,-0.6 -0.983 4.4-167.4-120.8 120.8 -101.4 49.2 -33.6 53 55 A I E -ab 5 85A 0 31,-2.4 33,-3.0 -2,-0.5 2,-0.6 -0.942 10.1-151.6-109.9 117.8 -104.0 50.3 -36.2 54 56 A V E -ab 6 86A 0 -49,-3.0 -47,-2.7 -2,-0.6 33,-0.2 -0.797 23.9-115.9 -94.2 122.8 -107.1 48.2 -36.4 55 57 A Q - 0 0 20 31,-2.6 -48,-0.2 -2,-0.6 -41,-0.2 0.085 28.8-106.6 -44.8 156.2 -108.7 48.2 -39.9 56 58 A S - 0 0 6 8,-0.2 -48,-0.1 -50,-0.1 -1,-0.1 -0.541 14.0-155.0 -83.0 159.5 -112.2 49.6 -40.5 57 59 A G + 0 0 10 -50,-0.3 2,-1.3 -2,-0.2 -1,-0.1 0.056 54.0 123.4-117.6 22.6 -115.2 47.4 -41.1 58 60 A C S S- 0 0 31 2,-0.1 2,-1.4 1,-0.1 6,-0.1 -0.443 73.5-119.1 -91.8 60.7 -117.2 49.9 -43.1 59 61 A G S S+ 0 0 67 -2,-1.3 2,-0.5 1,-0.1 -1,-0.1 -0.181 85.9 100.1 58.3 -82.7 -117.8 48.0 -46.3 60 62 A E > - 0 0 98 -2,-1.4 4,-2.4 1,-0.2 3,-0.3 -0.141 54.9-168.3 -49.4 94.4 -116.1 50.3 -48.9 61 63 A I H > S+ 0 0 66 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.832 80.4 49.9 -59.4 -42.9 -112.8 48.4 -49.2 62 64 A N H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.864 112.3 47.9 -66.8 -37.5 -110.8 51.0 -51.2 63 65 A D H > S+ 0 0 39 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.905 113.3 48.9 -66.1 -44.4 -111.7 53.7 -48.7 64 66 A N H X S+ 0 0 21 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.909 112.1 47.9 -62.9 -44.8 -110.8 51.5 -45.8 65 67 A L H X S+ 0 0 14 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.931 112.7 48.0 -61.9 -47.6 -107.5 50.5 -47.4 66 68 A M H X S+ 0 0 96 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.954 112.2 49.2 -60.8 -48.2 -106.6 54.1 -48.1 67 69 A E H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.906 113.3 47.4 -54.4 -44.3 -107.5 55.3 -44.6 68 70 A L H X S+ 0 0 7 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.937 113.3 48.0 -63.9 -46.1 -105.4 52.4 -43.1 69 71 A L H X S+ 0 0 19 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.928 113.3 47.2 -60.0 -47.4 -102.5 53.3 -45.5 70 72 A I H X S+ 0 0 49 -4,-3.4 4,-2.6 2,-0.2 -1,-0.2 0.878 112.4 50.4 -64.3 -39.6 -102.6 57.0 -44.6 71 73 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.971 110.2 49.3 -62.6 -51.4 -102.8 56.2 -40.9 72 74 A I H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.927 114.3 46.4 -50.1 -49.7 -99.8 53.9 -41.1 73 75 A N H X S+ 0 0 74 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.907 109.3 54.0 -60.7 -45.3 -97.9 56.6 -43.0 74 76 A A H X S+ 0 0 22 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.873 109.6 47.3 -59.6 -42.0 -98.9 59.3 -40.6 75 77 A C H <>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 -1,-0.2 0.873 111.5 52.3 -66.5 -37.1 -97.6 57.3 -37.5 76 78 A K H ><5S+ 0 0 68 -4,-1.8 3,-1.7 41,-0.2 -2,-0.2 0.949 109.4 45.3 -66.5 -52.0 -94.3 56.6 -39.3 77 79 A I H 3<5S+ 0 0 130 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.676 107.9 61.6 -68.4 -14.2 -93.4 60.1 -40.3 78 80 A A T 3<5S- 0 0 39 -4,-0.8 -32,-0.4 -5,-0.3 -1,-0.3 0.041 123.6-105.1 -96.5 23.0 -94.4 61.1 -36.7 79 81 A S T < 5 + 0 0 53 -3,-1.7 -31,-3.2 1,-0.2 -3,-0.2 0.743 52.2 176.0 66.0 31.2 -91.6 58.8 -35.3 80 82 A A B < -G 47 0D 10 -5,-2.2 -1,-0.2 -33,-0.3 -33,-0.2 -0.380 32.7-133.9 -57.4 142.0 -93.7 55.9 -34.1 81 83 A S S S- 0 0 84 -32,-1.4 2,-0.3 -35,-0.5 -31,-0.2 0.914 83.1 -4.0 -69.2 -40.6 -91.3 53.2 -32.9 82 84 A R E -b 50 0A 79 -33,-1.8 -31,-3.1 2,-0.0 2,-0.5 -0.987 62.6-150.9-153.4 144.0 -93.2 50.5 -34.7 83 85 A V E -b 51 0A 0 -2,-0.3 37,-3.4 35,-0.3 38,-1.0 -0.968 12.1-175.2-125.2 117.8 -96.4 50.2 -36.7 84 86 A T E -bc 52 121A 0 -33,-3.0 -31,-2.4 -2,-0.5 2,-0.6 -0.932 16.3-145.5-108.5 129.2 -98.5 47.1 -36.9 85 87 A A E -bc 53 122A 0 36,-2.4 38,-2.6 -2,-0.5 2,-0.8 -0.850 8.0-156.3 -89.0 124.3 -101.5 46.8 -39.1 86 88 A V E +bc 54 123A 0 -33,-3.0 -31,-2.6 -2,-0.6 38,-0.2 -0.904 21.8 169.0-100.4 104.8 -104.2 44.7 -37.5 87 89 A I E - c 0 124A 2 36,-3.2 38,-0.6 -2,-0.8 3,-0.1 -0.672 13.7-179.4-122.7 78.0 -106.2 43.5 -40.5 88 90 A P S S+ 0 0 0 0, 0.0 37,-1.4 0, 0.0 2,-0.6 0.837 84.4 34.5 -50.0 -40.7 -108.6 40.8 -39.3 89 91 A C S S- 0 0 26 178,-0.3 37,-0.1 35,-0.1 38,-0.1 -0.923 91.6-136.7-119.3 105.6 -109.9 40.4 -42.9 90 92 A F > - 0 0 9 -2,-0.6 3,-1.2 35,-0.3 38,-0.1 -0.417 22.2-124.7 -70.0 121.8 -107.1 40.9 -45.5 91 93 A P T 3 S+ 0 0 18 0, 0.0 19,-0.1 0, 0.0 -1,-0.1 -0.412 88.1 7.9 -70.7 142.5 -108.4 43.1 -48.4 92 94 A Y T > S+ 0 0 60 1,-0.1 3,-1.0 -2,-0.1 15,-0.4 0.561 81.7 143.1 65.3 14.4 -108.0 41.7 -52.0 93 95 A A T < + 0 0 4 -3,-1.2 3,-0.2 1,-0.3 14,-0.1 0.768 65.4 58.0 -57.4 -30.5 -106.9 38.3 -50.6 94 96 A R T 3 S+ 0 0 119 1,-0.2 2,-2.4 2,-0.1 3,-0.3 0.878 92.2 70.5 -65.9 -36.4 -108.8 36.4 -53.3 95 97 A Q < + 0 0 86 -3,-1.0 12,-3.2 1,-0.2 13,-0.5 -0.400 64.7 123.7 -79.7 64.0 -106.8 38.3 -56.0 96 98 A D + 0 0 4 -2,-2.4 345,-0.3 10,-0.2 2,-0.3 0.275 67.7 25.3-111.2 6.8 -103.6 36.3 -55.0 97 99 A K S S- 0 0 51 7,-0.3 9,-0.2 -3,-0.3 341,-0.1 -0.968 76.1-113.3-162.0 160.8 -102.6 34.7 -58.4 98 100 A K > - 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