==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAY-11 3S5J . COMPND 2 MOLECULE: RIBOSE-PHOSPHATE PYROPHOSPHOKINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.CHEN,M.TENG,X.LI . 612 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24806.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 69.8 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 . 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 . 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 . 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 . 47 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 25.7 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 2 0 4 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 4 8 4 0 1 1 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 B N 0 0 118 0, 0.0 49,-4.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -30.7 -10.8 -0.6 24.5 2 4 B I E +a 50 0A 32 47,-0.2 2,-0.4 49,-0.1 49,-0.2 -0.691 360.0 173.2 -91.0 127.7 -13.2 -3.2 23.0 3 5 B K E -a 51 0A 37 47,-2.5 49,-3.1 -2,-0.4 2,-0.5 -0.995 12.0-161.8-135.0 130.0 -16.3 -2.0 21.1 4 6 B I E -a 52 0A 0 20,-0.5 22,-3.2 -2,-0.4 2,-0.3 -0.946 7.8-175.6-116.1 128.2 -18.7 -4.2 19.3 5 7 B F E -a 53 0A 0 47,-3.0 49,-2.9 -2,-0.5 2,-0.4 -0.889 14.0-141.4-117.9 150.7 -21.1 -3.0 16.6 6 8 B S E -a 54 0A 4 20,-0.4 2,-0.2 -2,-0.3 49,-0.2 -0.889 13.7-128.4-109.6 141.8 -23.8 -4.9 14.7 7 9 B G - 0 0 3 47,-2.3 3,-0.4 -2,-0.4 50,-0.2 -0.541 69.8 -21.9 -75.4 151.2 -24.8 -4.6 11.1 8 10 B S S S- 0 0 21 1,-0.2 22,-0.1 -2,-0.2 -2,-0.1 -0.087 97.0 -64.4 55.5-136.9 -28.5 -4.0 10.2 9 11 B S S S+ 0 0 102 1,-0.0 2,-0.9 0, 0.0 -1,-0.2 0.133 107.8 97.3-136.1 9.5 -31.3 -4.9 12.6 10 12 B H + 0 0 88 -3,-0.4 47,-0.5 1,-0.2 3,-0.5 -0.412 47.6 147.6 -89.3 56.8 -30.7 -8.7 12.6 11 13 B Q > + 0 0 77 -2,-0.9 4,-3.5 1,-0.2 5,-0.3 0.321 26.4 106.7 -82.8 10.3 -28.7 -8.2 15.8 12 14 B D H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.943 87.8 36.7 -57.6 -56.0 -29.5 -11.5 17.5 13 15 B L H > S+ 0 0 19 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.949 118.6 52.7 -56.3 -50.2 -26.0 -13.1 17.0 14 16 B S H > S+ 0 0 2 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.891 111.0 46.2 -54.7 -41.9 -24.4 -9.7 17.6 15 17 B Q H X S+ 0 0 74 -4,-3.5 4,-3.1 1,-0.2 -1,-0.2 0.886 109.5 54.1 -71.9 -38.2 -26.3 -9.3 20.8 16 18 B K H X S+ 0 0 69 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.873 111.5 46.0 -60.0 -38.4 -25.5 -12.8 22.0 17 19 B I H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.924 113.0 48.2 -71.8 -45.0 -21.8 -12.0 21.4 18 20 B A H ><>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 3,-0.7 0.950 110.8 52.8 -59.7 -48.7 -22.0 -8.7 23.2 19 21 B D H ><5S+ 0 0 98 -4,-3.1 3,-1.9 1,-0.2 -1,-0.2 0.921 106.8 51.5 -49.6 -52.1 -23.8 -10.3 26.1 20 22 B R H 3<5S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.790 111.1 49.1 -61.6 -24.7 -21.1 -13.0 26.5 21 23 B L T <<5S- 0 0 45 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.441 115.3-114.9 -92.0 -1.5 -18.5 -10.2 26.6 22 24 B G T < 5S+ 0 0 69 -3,-1.9 2,-0.3 -4,-0.4 -3,-0.2 0.744 76.0 122.5 73.4 25.1 -20.3 -8.2 29.2 23 25 B L < - 0 0 52 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.816 60.8-129.1-118.5 154.9 -20.9 -5.3 26.7 24 26 B E - 0 0 153 -2,-0.3 -20,-0.5 -3,-0.1 2,-0.1 -0.774 42.7-101.5 -87.6 147.7 -23.7 -3.3 25.1 25 27 B L - 0 0 23 -2,-0.3 -20,-0.2 1,-0.1 3,-0.1 -0.470 46.7-102.2 -63.1 138.7 -23.6 -3.0 21.3 26 28 B G - 0 0 8 -22,-3.2 2,-0.4 -2,-0.1 -20,-0.4 -0.232 41.5 -96.5 -62.9 154.7 -22.2 0.3 20.2 27 29 B K + 0 0 131 -22,-0.1 16,-2.7 -3,-0.1 2,-0.4 -0.614 50.6 169.4 -78.2 127.5 -24.7 2.9 19.0 28 30 B V E -E 42 0B 34 -2,-0.4 2,-0.8 14,-0.2 14,-0.2 -0.994 32.4-147.3-140.1 134.4 -25.2 3.1 15.3 29 31 B V E +E 41 0B 67 12,-2.9 12,-1.0 -2,-0.4 2,-0.5 -0.865 33.2 170.6 -95.7 103.1 -27.8 5.0 13.1 30 32 B T E +E 40 0B 42 -2,-0.8 2,-0.3 10,-0.2 10,-0.2 -0.799 6.5 148.6-127.2 90.4 -28.1 2.5 10.2 31 33 B K E -E 39 0B 115 8,-1.0 8,-3.9 -2,-0.5 2,-0.6 -0.871 44.0-122.6-125.6 151.5 -30.8 3.1 7.6 32 34 B K E -E 38 0B 88 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.830 36.5-133.6 -90.1 124.0 -31.4 2.6 3.8 33 35 B F > - 0 0 78 4,-3.7 3,-1.3 -2,-0.6 -1,-0.1 0.084 29.9 -89.5 -66.6-178.3 -32.3 5.8 2.1 34 36 B S T 3 S+ 0 0 41 1,-0.3 523,-0.2 2,-0.1 -1,-0.1 0.903 127.1 47.2 -58.9 -45.0 -35.1 6.5 -0.4 35 37 B N T 3 S- 0 0 16 521,-0.1 336,-0.4 1,-0.1 -1,-0.3 0.005 124.2 -98.3 -94.3 28.8 -32.9 5.5 -3.4 36 38 B Q S < S+ 0 0 61 -3,-1.3 336,-0.2 1,-0.3 -2,-0.1 0.249 78.0 141.2 81.7 -12.1 -31.6 2.3 -1.8 37 39 B E - 0 0 9 -5,-0.1 -4,-3.7 1,-0.1 2,-0.4 -0.362 54.8-116.9 -64.2 139.9 -28.3 3.9 -0.7 38 40 B T E -E 32 0B 2 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.677 24.7-157.0 -80.9 129.5 -27.1 2.7 2.8 39 41 B C E +E 31 0B 8 -8,-3.9 -8,-1.0 -2,-0.4 2,-0.4 -0.899 15.4 175.4-102.7 133.0 -26.9 5.4 5.5 40 42 B V E +E 30 0B 7 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.999 10.1 174.7-137.3 141.3 -24.6 4.8 8.5 41 43 B E E -E 29 0B 76 -12,-1.0 -12,-2.9 -2,-0.4 2,-0.4 -0.860 27.0-137.0-148.8 113.2 -23.7 7.0 11.4 42 44 B I E -E 28 0B 1 370,-1.8 370,-0.3 -2,-0.3 -14,-0.2 -0.541 16.1-155.6 -69.7 119.6 -21.5 5.9 14.3 43 45 B G + 0 0 30 -16,-2.7 2,-0.3 -2,-0.4 -15,-0.2 0.269 68.6 33.8 -89.8 12.5 -23.3 7.3 17.4 44 46 B E S S- 0 0 38 -17,-0.3 2,-0.1 368,-0.1 -18,-0.0 -0.982 94.2 -83.9-157.4 156.4 -20.3 7.4 19.7 45 47 B S - 0 0 62 -2,-0.3 34,-0.1 1,-0.1 -2,-0.1 -0.376 30.7-179.6 -62.7 140.0 -16.6 8.0 19.5 46 48 B V > + 0 0 1 32,-0.4 3,-2.5 29,-0.1 35,-0.5 0.184 30.2 146.7-117.5 11.1 -14.5 5.0 18.6 47 49 B R T 3 S- 0 0 168 1,-0.3 33,-0.3 33,-0.2 32,-0.2 -0.217 77.1 -1.8 -53.8 130.0 -11.2 6.9 18.8 48 50 B G T 3 S+ 0 0 38 31,-2.4 -1,-0.3 1,-0.2 32,-0.2 0.508 105.7 135.3 66.9 5.3 -8.3 4.7 20.0 49 51 B E < - 0 0 56 -3,-2.5 33,-1.8 30,-0.1 32,-1.4 -0.503 64.4-121.4 -91.9 155.4 -10.7 1.8 20.4 50 52 B D E -ab 2 82A 4 -49,-4.1 -47,-2.5 31,-0.2 2,-0.4 -0.789 43.6-160.5 -88.3 96.5 -10.5 -2.0 19.4 51 53 B V E -ab 3 83A 0 31,-2.8 33,-3.1 -2,-1.0 2,-0.5 -0.680 17.4-173.4 -94.3 133.3 -13.5 -2.1 17.1 52 54 B Y E -ab 4 84A 0 -49,-3.1 -47,-3.0 -2,-0.4 2,-0.6 -0.984 4.5-166.2-122.9 125.0 -15.4 -5.3 16.1 53 55 B I E -ab 5 85A 1 31,-2.5 33,-2.9 -2,-0.5 2,-0.5 -0.949 9.8-150.9-115.4 120.4 -18.2 -5.1 13.5 54 56 B V E -ab 6 86A 0 -49,-2.9 -47,-2.3 -2,-0.6 33,-0.2 -0.795 21.7-117.9 -96.4 125.6 -20.4 -8.2 13.2 55 57 B Q - 0 0 35 31,-2.7 2,-0.2 -2,-0.5 -41,-0.1 -0.323 28.5-123.1 -63.7 132.6 -22.0 -8.9 9.8 56 58 B S - 0 0 3 8,-0.2 3,-0.3 1,-0.1 -48,-0.1 -0.477 5.1-146.2 -76.8 148.4 -25.8 -8.8 9.6 57 59 B G + 0 0 19 -47,-0.5 -1,-0.1 -50,-0.2 4,-0.1 -0.137 51.7 133.8-105.7 36.0 -27.8 -11.7 8.4 58 60 B C - 0 0 57 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.901 68.4-122.3 -47.9 -49.8 -30.6 -9.7 6.8 59 61 B G S S+ 0 0 41 -3,-0.3 2,-1.4 1,-0.1 -1,-0.1 -0.210 85.2 101.4 129.8 -43.4 -30.5 -11.8 3.7 60 62 B E > - 0 0 22 1,-0.2 4,-2.4 2,-0.1 3,-0.2 -0.614 56.3-167.0 -74.6 94.8 -29.8 -9.2 1.0 61 63 B I H > S+ 0 0 21 -2,-1.4 4,-2.8 284,-0.3 5,-0.2 0.867 80.0 50.4 -58.5 -41.7 -26.2 -10.0 0.6 62 64 B N H > S+ 0 0 0 284,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.914 113.2 46.4 -66.7 -38.9 -25.2 -6.9 -1.4 63 65 B D H > S+ 0 0 21 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 114.3 48.3 -65.4 -44.0 -26.9 -4.5 1.0 64 66 B N H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 -8,-0.2 0.891 112.1 49.1 -65.1 -40.0 -25.3 -6.3 4.0 65 67 B L H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.948 112.4 46.2 -64.7 -47.9 -21.9 -6.2 2.4 66 68 B M H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.906 110.9 53.8 -62.2 -41.3 -22.0 -2.5 1.5 67 69 B E H X S+ 0 0 17 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.920 110.5 47.3 -56.8 -45.1 -23.3 -1.7 5.0 68 70 B L H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.914 112.4 48.5 -62.7 -46.0 -20.3 -3.6 6.5 69 71 B L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.882 112.0 49.5 -62.3 -41.0 -17.8 -1.8 4.2 70 72 B I H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.898 110.7 49.7 -68.6 -40.1 -19.3 1.6 5.0 71 73 B M H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.896 109.9 50.9 -64.1 -42.4 -19.2 0.9 8.8 72 74 B I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.935 111.3 49.1 -57.7 -46.9 -15.6 -0.2 8.5 73 75 B N H X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.921 109.7 50.9 -58.7 -48.7 -14.8 3.0 6.6 74 76 B A H X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.917 112.1 46.3 -58.6 -45.2 -16.5 5.2 9.2 75 77 B C H <>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 -1,-0.2 0.910 112.3 50.7 -68.5 -38.7 -14.7 3.6 12.1 76 78 B K H ><5S+ 0 0 59 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.926 113.0 43.6 -64.7 -43.7 -11.3 3.9 10.4 77 79 B I H 3<5S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.650 107.1 62.0 -82.0 -10.3 -11.6 7.5 9.5 78 80 B A T 3<5S- 0 0 12 -4,-1.1 -32,-0.4 -5,-0.2 -1,-0.3 0.163 121.8-109.2 -92.2 15.1 -13.0 8.1 13.0 79 81 B S T < 5 + 0 0 55 -3,-1.5 -31,-2.4 1,-0.2 -3,-0.2 0.719 49.8 176.5 67.6 30.7 -9.5 6.9 14.2 80 82 B A < - 0 0 11 -5,-2.3 -33,-0.2 -33,-0.3 -1,-0.2 -0.284 36.3-127.7 -52.4 148.9 -10.3 3.5 15.8 81 83 B S S S- 0 0 79 -32,-1.4 2,-0.3 -35,-0.5 -31,-0.2 0.894 87.4 -6.9 -67.5 -39.0 -7.2 1.8 17.0 82 84 B R E -b 50 0A 81 -33,-1.8 -31,-2.8 2,-0.0 2,-0.5 -0.984 61.8-149.3-155.6 149.0 -8.1 -1.3 15.0 83 85 B V E -b 51 0A 0 -2,-0.3 37,-2.8 35,-0.2 38,-1.0 -0.976 13.2-171.9-127.3 119.3 -11.1 -2.6 13.0 84 86 B T E -bc 52 121A 0 -33,-3.1 -31,-2.5 -2,-0.5 2,-0.6 -0.923 15.8-143.8-111.5 130.0 -12.0 -6.2 12.8 85 87 B A E -bc 53 122A 0 36,-2.6 38,-2.9 -2,-0.5 2,-0.8 -0.847 10.0-161.6 -90.1 121.8 -14.6 -7.6 10.5 86 88 B V E +bc 54 123A 0 -33,-2.9 -31,-2.7 -2,-0.6 38,-0.2 -0.900 17.2 172.1-103.7 105.9 -16.5 -10.5 12.2 87 89 B I E - c 0 124A 0 36,-3.0 38,-0.6 -2,-0.8 3,-0.1 -0.796 14.7-173.7-123.6 88.2 -18.1 -12.2 9.3 88 90 B P S S+ 0 0 1 0, 0.0 37,-1.3 0, 0.0 2,-0.6 0.899 83.4 28.4 -55.1 -47.3 -19.7 -15.4 10.4 89 91 B C S S- 0 0 19 177,-0.4 37,-0.1 35,-0.1 38,-0.1 -0.960 90.8-134.3-114.7 115.2 -20.7 -16.5 6.9 90 92 B F > - 0 0 9 -2,-0.6 3,-1.2 35,-0.3 38,-0.1 -0.547 22.5-124.0 -77.4 123.3 -18.3 -15.1 4.3 91 93 B P T 3 S+ 0 0 8 0, 0.0 19,-0.1 0, 0.0 -1,-0.1 -0.344 87.9 9.1 -70.4 143.4 -20.1 -13.6 1.3 92 94 B Y T > S+ 0 0 0 1,-0.1 3,-2.2 18,-0.1 15,-0.3 0.631 82.9 141.2 64.1 16.7 -19.4 -14.8 -2.3 93 95 B A T < + 0 0 3 -3,-1.2 3,-0.2 1,-0.3 14,-0.1 0.815 64.5 59.5 -60.4 -33.7 -17.3 -17.6 -0.7 94 96 B R T 3 S+ 0 0 77 1,-0.2 2,-0.6 2,-0.1 -1,-0.3 0.531 93.3 71.6 -71.7 -5.9 -18.5 -20.1 -3.3 95 97 B Q < + 0 0 29 -3,-2.2 12,-2.9 1,-0.2 13,-0.4 -0.552 61.2 121.8-104.8 67.5 -17.0 -17.8 -6.0 96 98 B D + 0 0 20 -2,-0.6 2,-0.3 -3,-0.2 -1,-0.2 0.214 67.9 28.3-117.0 10.9 -13.3 -18.5 -5.1 97 99 B K S S- 0 0 118 7,-0.3 9,-0.2 -3,-0.2 10,-0.1 -0.972 73.9-113.8-161.3 170.9 -12.0 -19.8 -8.5 98 100 B K > - 0 0 86 -2,-0.3 3,-1.3 7,-0.1 5,-0.3 0.773 32.7-153.9 -84.7 -28.6 -12.5 -19.5 -12.3 99 101 B D T 3 - 0 0 109 1,-0.3 3,-0.1 3,-0.1 -2,-0.0 0.835 70.0 -57.9 58.4 36.3 -13.7 -23.1 -12.8 100 102 B K T 3 S+ 0 0 217 1,-0.2 2,-0.3 3,-0.1 -1,-0.3 0.712 117.5 106.3 67.9 22.9 -12.5 -23.1 -16.4 101 103 B S S < S- 0 0 42 -3,-1.3 2,-2.5 2,-0.0 -1,-0.2 -0.860 88.5-102.6-130.5 163.4 -14.7 -20.1 -17.2 102 104 B R S S+ 0 0 103 -2,-0.3 250,-1.0 250,-0.3 252,-0.1 -0.313 75.9 145.0 -78.0 56.0 -14.3 -16.3 -17.9 103 105 B A - 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