==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-SEP-10 3OZ7 . COMPND 2 MOLECULE: PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR C.D.SMITH,D.CHATTOPADHYAY,B.PAL . 833 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 598 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 105 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 5.0 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 . 2 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 . 57 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 8 0 0 2 1 4 6 1 4 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 5 7 6 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 2 2 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 . 4 0 2 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 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 0 A H 0 0 153 0, 0.0 201,-0.0 0, 0.0 197,-0.0 0.000 360.0 360.0 360.0 130.1 31.6 -51.2 19.7 2 1 A H + 0 0 26 2,-0.1 3,-0.1 1,-0.1 196,-0.1 0.286 360.0 73.8-131.4 12.2 28.0 -50.0 20.5 3 2 A L S > S+ 0 0 9 1,-0.1 3,-0.6 195,-0.1 195,-0.2 0.800 89.5 53.2 -97.0 -32.6 25.7 -49.7 17.5 4 3 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.1 194,-0.1 -2,-0.1 0.218 96.4 61.4 -98.5 14.1 24.8 -53.3 16.5 5 4 A N T 3 S+ 0 0 68 -3,-0.1 -1,-0.2 2,-0.1 2,-0.2 0.230 73.6 127.0-121.8 14.0 23.5 -54.8 19.7 6 5 A K < - 0 0 25 -3,-0.6 410,-0.3 1,-0.1 2,-0.2 -0.480 60.0-114.1 -90.4 143.8 20.5 -52.7 20.5 7 6 A L - 0 0 35 408,-3.1 179,-3.0 177,-0.3 2,-0.2 -0.492 36.1-166.8 -71.2 134.7 16.9 -53.7 21.1 8 7 A S B > -a 186 0A 14 177,-0.3 3,-1.4 -2,-0.2 4,-0.2 -0.754 37.5-100.9-120.0 170.1 14.4 -52.6 18.5 9 8 A I G > S+ 0 0 0 177,-1.9 3,-1.2 1,-0.3 178,-0.1 0.778 114.0 69.8 -57.5 -30.1 10.6 -52.4 18.2 10 9 A S G 3 S+ 0 0 59 1,-0.2 -1,-0.3 176,-0.1 177,-0.0 0.785 97.9 49.2 -57.7 -32.0 10.6 -55.7 16.2 11 10 A D G < S+ 0 0 62 -3,-1.4 2,-0.6 2,-0.0 -1,-0.2 0.378 78.9 112.1 -98.2 2.7 11.6 -57.8 19.2 12 11 A L < + 0 0 23 -3,-1.2 3,-0.3 -4,-0.2 -3,-0.0 -0.682 37.6 178.5 -81.3 118.8 9.0 -56.6 21.7 13 12 A K S S+ 0 0 183 -2,-0.6 3,-0.2 1,-0.2 2,-0.2 0.707 71.1 50.3 -93.4 -21.9 6.6 -59.5 22.5 14 13 A D + 0 0 115 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 -0.425 59.1 124.5-121.7 57.6 4.4 -57.8 25.1 15 14 A I > + 0 0 4 -3,-0.3 3,-2.2 -2,-0.2 42,-0.4 0.807 43.8 112.8 -78.4 -30.7 3.3 -54.4 23.7 16 15 A K T 3 S- 0 0 145 38,-0.3 40,-0.3 1,-0.3 39,-0.2 -0.135 90.8 -1.6 -51.8 130.7 -0.5 -55.2 24.2 17 16 A N T 3 S+ 0 0 113 38,-3.3 -1,-0.3 1,-0.2 2,-0.2 0.382 103.1 127.3 69.5 -0.5 -2.2 -53.1 26.9 18 17 A K < - 0 0 81 -3,-2.2 39,-1.9 39,-0.1 40,-0.7 -0.613 64.3-121.2 -88.5 144.9 1.1 -51.2 27.7 19 18 A K E -b 58 0A 29 -2,-0.2 140,-2.5 38,-0.2 141,-1.9 -0.753 33.9-157.7 -81.3 125.7 1.5 -47.5 27.8 20 19 A V E -bc 59 160A 1 38,-2.7 40,-2.5 -2,-0.5 2,-0.5 -0.933 10.7-158.2-120.1 120.5 4.3 -46.6 25.3 21 20 A L E -bc 60 161A 0 139,-3.0 141,-3.1 -2,-0.5 2,-0.5 -0.826 13.4-166.3 -95.8 126.8 6.4 -43.4 25.2 22 21 A V E -bc 61 162A 0 38,-3.1 40,-2.5 -2,-0.5 2,-0.6 -0.958 12.5-153.8-121.9 119.5 7.9 -42.6 21.9 23 22 A R E +bc 62 163A 0 139,-2.7 141,-2.8 -2,-0.5 142,-0.4 -0.819 30.2 172.6 -87.9 120.5 10.7 -40.0 21.3 24 23 A V - 0 0 1 38,-2.3 2,-0.7 -2,-0.6 40,-0.4 -0.808 38.1-115.6-127.6 164.0 10.4 -38.7 17.8 25 24 A D + 0 0 21 139,-0.3 19,-0.1 -2,-0.3 40,-0.1 -0.900 41.7 154.1-102.0 105.5 11.9 -36.0 15.5 26 25 A F + 0 0 0 -2,-0.7 2,-2.0 38,-0.6 -1,-0.1 -0.018 20.7 136.9-116.6 25.5 9.2 -33.5 14.6 27 26 A N + 0 0 29 38,-0.1 38,-0.1 13,-0.1 -2,-0.0 -0.495 37.5 164.2 -77.2 81.6 11.6 -30.6 14.0 28 27 A V - 0 0 6 -2,-2.0 2,-0.2 1,-0.1 10,-0.1 -0.653 44.7-100.5-111.6 153.3 9.8 -29.4 10.8 29 28 A P - 0 0 24 0, 0.0 7,-2.2 0, 0.0 8,-0.9 -0.508 47.6-179.3 -67.0 135.0 9.7 -26.3 8.6 30 29 A I E -G 35 0B 25 5,-0.3 2,-0.3 -2,-0.2 5,-0.2 -0.986 20.1-173.0-142.5 146.6 6.6 -24.2 9.3 31 30 A E E > S-G 34 0B 75 3,-2.2 3,-2.9 -2,-0.3 524,-0.0 -0.968 74.8 -20.8-142.0 125.4 4.9 -21.0 8.0 32 31 A N T 3 S- 0 0 152 -2,-0.3 3,-0.1 1,-0.3 522,-0.0 0.787 127.0 -50.4 49.7 37.2 1.8 -19.3 9.5 33 32 A G T 3 S+ 0 0 46 1,-0.2 2,-0.6 42,-0.1 -1,-0.3 0.450 117.9 116.6 80.3 2.4 0.7 -22.5 11.3 34 33 A I E < -G 31 0B 122 -3,-2.9 -3,-2.2 2,-0.0 2,-0.2 -0.913 64.7-132.2-110.3 115.7 1.1 -24.4 8.0 35 34 A I E -G 30 0B 25 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.2 -0.448 14.9-166.2 -69.2 129.5 3.7 -27.2 7.8 36 35 A K S S+ 0 0 135 -7,-2.2 2,-0.5 1,-0.3 -6,-0.2 0.866 75.2 28.8 -84.7 -42.6 5.9 -27.0 4.7 37 36 A D + 0 0 72 -8,-0.9 3,-0.3 1,-0.1 -1,-0.3 -0.963 54.4 179.9-128.8 115.9 7.6 -30.4 4.8 38 37 A T >> + 0 0 57 -2,-0.5 4,-2.1 1,-0.2 3,-1.7 0.466 53.5 107.9 -91.3 -3.5 5.8 -33.4 6.4 39 38 A N H 3> S+ 0 0 83 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.813 77.9 50.2 -43.8 -46.3 8.6 -35.9 5.7 40 39 A R H 34 S+ 0 0 84 -3,-0.3 -1,-0.3 1,-0.2 4,-0.3 0.765 112.8 48.5 -67.4 -26.2 9.7 -36.2 9.3 41 40 A I H X4 S+ 0 0 0 -3,-1.7 3,-1.4 2,-0.2 4,-0.3 0.921 109.7 48.2 -79.8 -48.0 6.1 -36.8 10.4 42 41 A T H >< S+ 0 0 51 -4,-2.1 3,-0.9 1,-0.3 -2,-0.2 0.738 102.5 67.0 -65.3 -22.5 5.3 -39.6 7.9 43 42 A A T 3< S+ 0 0 35 -4,-1.3 4,-0.3 -5,-0.3 -1,-0.3 0.699 95.0 55.9 -70.3 -20.9 8.5 -41.3 8.8 44 43 A T T <> S+ 0 0 2 -3,-1.4 4,-2.5 -4,-0.3 3,-0.4 0.572 83.8 89.8 -86.8 -9.8 7.2 -42.0 12.3 45 44 A L H <> S+ 0 0 28 -3,-0.9 4,-3.2 -4,-0.3 5,-0.3 0.840 80.2 54.3 -61.3 -40.7 4.1 -43.9 10.9 46 45 A P H > S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.897 112.9 45.8 -62.3 -33.9 5.6 -47.3 10.7 47 46 A T H > S+ 0 0 0 -3,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.938 116.5 44.1 -67.0 -49.6 6.5 -47.0 14.4 48 47 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -3,-0.2 0.926 114.4 49.0 -61.4 -47.4 3.1 -45.6 15.4 49 48 A N H X S+ 0 0 79 -4,-3.2 4,-3.2 2,-0.2 -1,-0.2 0.857 109.6 51.3 -64.6 -38.0 1.1 -48.2 13.3 50 49 A H H X S+ 0 0 35 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.950 110.3 49.2 -63.2 -50.3 3.1 -51.1 14.7 51 50 A L H X>S+ 0 0 1 -4,-2.1 5,-2.0 2,-0.2 4,-0.7 0.880 114.8 46.7 -51.9 -43.8 2.4 -49.9 18.2 52 51 A K H ><5S+ 0 0 45 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.961 112.1 47.9 -62.0 -55.1 -1.3 -49.6 17.2 53 52 A K H 3<5S+ 0 0 169 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.744 108.3 56.8 -60.7 -25.4 -1.6 -53.0 15.5 54 53 A E H 3<5S- 0 0 70 -4,-1.9 -38,-0.3 -5,-0.2 -1,-0.3 0.666 119.3-104.9 -86.6 -17.6 0.1 -54.7 18.5 55 54 A G T <<5 + 0 0 20 -3,-1.2 -38,-3.3 -4,-0.7 -3,-0.2 0.664 50.0 176.0 105.7 22.4 -2.4 -53.4 21.0 56 55 A A < - 0 0 0 -5,-2.0 -37,-0.2 -40,-0.3 -1,-0.2 -0.219 27.7-141.3 -52.6 143.4 -0.7 -50.7 22.9 57 56 A S S S+ 0 0 12 -39,-1.9 57,-2.6 -42,-0.4 58,-0.7 0.956 81.8 2.7 -72.6 -54.1 -3.0 -48.9 25.4 58 57 A K E -bd 19 115A 12 -40,-0.7 -38,-2.7 56,-0.2 2,-0.6 -0.988 59.4-151.4-133.6 144.0 -1.7 -45.4 24.8 59 58 A I E -bd 20 116A 0 56,-2.4 58,-3.1 -2,-0.3 2,-0.5 -0.906 19.9-169.6-115.4 99.3 0.9 -44.1 22.4 60 59 A I E -bd 21 117A 0 -40,-2.5 -38,-3.1 -2,-0.6 2,-0.4 -0.797 5.0-158.3 -92.1 127.0 2.4 -41.0 24.0 61 60 A L E -bd 22 118A 0 56,-3.4 58,-2.8 -2,-0.5 2,-0.4 -0.899 11.0-177.8-109.3 134.7 4.7 -38.9 21.8 62 61 A I E +b 23 0A 0 -40,-2.5 -38,-2.3 -2,-0.4 2,-0.3 -0.979 17.8 141.0-127.2 143.6 7.4 -36.5 22.9 63 62 A S - 0 0 0 -2,-0.4 59,-2.6 57,-0.2 2,-0.3 -0.935 35.0-122.3-162.3 176.9 9.5 -34.4 20.6 64 63 A H - 0 0 7 -40,-0.4 -38,-0.6 -2,-0.3 2,-0.3 -0.878 8.9-154.7-129.4 166.8 11.2 -31.0 20.2 65 64 A C - 0 0 9 -2,-0.3 -38,-0.1 1,-0.2 58,-0.0 -0.946 55.8 -45.6-144.8 119.4 11.0 -28.2 17.7 66 65 A G S S- 0 0 12 -2,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.098 90.1 -52.2 57.8-150.5 13.8 -25.6 17.1 67 66 A R + 0 0 108 1,-0.1 -1,-0.2 488,-0.1 57,-0.0 -0.626 57.1 155.0-130.5 73.5 15.6 -23.9 20.0 68 67 A P > - 0 0 9 0, 0.0 3,-1.4 0, 0.0 65,-0.2 0.601 45.6-143.1 -72.9 -11.1 13.2 -22.2 22.4 69 68 A D T 3 - 0 0 37 1,-0.3 64,-2.5 -3,-0.1 55,-0.1 0.889 66.1 -42.6 49.8 55.5 16.0 -22.6 25.1 70 69 A G T 3 S+ 0 0 18 53,-1.9 56,-0.4 55,-0.3 2,-0.4 0.450 116.1 109.0 76.8 1.1 13.8 -23.3 28.1 71 70 A L S < S- 0 0 69 -3,-1.4 2,-0.6 52,-0.3 -1,-0.2 -0.886 76.5-112.6-110.9 143.4 11.2 -20.7 27.3 72 71 A R - 0 0 155 -2,-0.4 2,-0.4 52,-0.1 5,-0.1 -0.626 43.1-179.3 -70.0 116.5 7.6 -21.2 26.1 73 72 A N > - 0 0 55 -2,-0.6 3,-2.1 1,-0.1 -2,-0.0 -0.971 29.6-150.9-131.2 115.4 7.7 -19.8 22.5 74 73 A E G > S+ 0 0 93 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.683 94.9 68.2 -56.5 -21.8 4.6 -19.7 20.2 75 74 A K G 3 S+ 0 0 99 1,-0.2 -1,-0.3 -7,-0.0 -42,-0.1 0.706 105.8 39.6 -70.8 -21.7 6.9 -20.0 17.2 76 75 A Y G < S+ 0 0 21 -3,-2.1 -1,-0.2 -10,-0.0 45,-0.2 -0.038 79.2 138.6-124.3 29.2 7.9 -23.6 18.1 77 76 A T < - 0 0 44 -3,-0.9 4,-0.1 1,-0.1 43,-0.1 -0.427 46.9-145.1 -69.8 151.2 4.6 -25.1 19.4 78 77 A L S >> S+ 0 0 1 1,-0.2 3,-1.2 2,-0.1 4,-1.1 0.363 72.4 104.4-101.0 3.1 3.9 -28.7 18.3 79 78 A K H 3> S+ 0 0 117 1,-0.3 4,-1.3 2,-0.2 3,-0.3 0.846 75.4 57.5 -51.0 -42.1 0.1 -28.3 18.0 80 79 A P H 3> S+ 0 0 21 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.782 99.9 59.2 -64.0 -24.8 0.2 -28.2 14.1 81 80 A V H <> S+ 0 0 3 -3,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.880 101.7 52.7 -70.6 -37.9 1.9 -31.6 14.1 82 81 A A H X S+ 0 0 2 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.857 106.9 54.1 -63.2 -36.2 -1.1 -33.2 15.9 83 82 A E H X S+ 0 0 106 -4,-1.3 4,-0.9 2,-0.2 -2,-0.2 0.916 111.7 43.6 -61.6 -46.1 -3.3 -31.6 13.2 84 83 A T H >X S+ 0 0 36 -4,-1.7 4,-1.0 1,-0.2 3,-0.7 0.903 109.3 57.8 -64.3 -43.7 -1.1 -33.3 10.5 85 84 A L H >X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.6 0.861 99.5 59.2 -55.3 -40.6 -1.1 -36.6 12.5 86 85 A K H 3X>S+ 0 0 50 -4,-1.8 4,-1.8 1,-0.2 5,-1.1 0.860 105.3 48.9 -55.7 -40.2 -4.9 -36.6 12.4 87 86 A G H <<5S+ 0 0 69 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.692 114.0 45.8 -75.8 -20.8 -4.9 -36.7 8.6 88 87 A L H <<5S+ 0 0 67 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.2 0.768 120.4 36.0 -93.5 -31.2 -2.4 -39.5 8.4 89 88 A L H <5S- 0 0 28 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.719 97.1-131.3 -90.1 -25.3 -3.9 -41.8 11.0 90 89 A G T <5S+ 0 0 70 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.902 75.3 99.1 72.6 46.3 -7.6 -41.0 10.2 91 90 A E S > S- 0 0 24 -2,-0.3 4,-1.8 1,-0.1 3,-0.6 -0.052 89.2 -67.3 92.4 166.1 3.0 -33.4 36.0 102 101 A K H 3> S+ 0 0 149 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.818 125.7 61.5 -63.1 -36.9 -0.2 -35.0 37.3 103 102 A E H 3> S+ 0 0 71 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.885 109.0 44.9 -56.0 -39.8 -2.5 -33.0 35.0 104 103 A V H <> S+ 0 0 5 -3,-0.6 4,-1.8 -4,-0.3 -2,-0.2 0.908 111.0 51.9 -70.2 -45.8 -0.7 -34.6 32.0 105 104 A E H X S+ 0 0 39 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.893 110.0 49.9 -58.8 -42.3 -0.8 -38.1 33.5 106 105 A D H X S+ 0 0 81 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.880 108.6 50.4 -66.4 -41.6 -4.5 -37.9 34.1 107 106 A K H X S+ 0 0 121 -4,-1.4 4,-1.4 -5,-0.2 -1,-0.2 0.816 110.9 50.4 -68.1 -31.5 -5.4 -36.7 30.6 108 107 A I H < S+ 0 0 0 -4,-1.8 -2,-0.2 2,-0.2 3,-0.2 0.944 113.4 44.9 -67.0 -49.4 -3.3 -39.6 29.2 109 108 A N H < S+ 0 0 90 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.833 114.2 50.8 -61.1 -34.5 -5.1 -42.1 31.4 110 109 A A H < S+ 0 0 85 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.796 91.2 98.8 -74.3 -31.8 -8.5 -40.5 30.6 111 110 A A S < S- 0 0 21 -4,-1.4 3,-0.1 -3,-0.2 4,-0.1 -0.056 88.2 -72.1 -62.6 159.1 -8.0 -40.6 26.8 112 111 A K > - 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