==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-DEC-01 1KJ8 . COMPND 2 MOLECULE: PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.B.THODEN,S.M.FIRESTINE,S.J.BENKOVIC,H.M.HOLDEN . 770 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 21.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 2 0.3 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 . 69 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.4 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 3 1 0 0 2 6 1 6 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 4 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 PARALLEL BRIDGES PER LADDER . 6 2 4 8 6 2 2 0 2 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 2 2 2 0 0 0 0 1 1 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 T 0 0 46 0, 0.0 720,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 125.7 39.5 14.8 22.2 2 3 A L - 0 0 79 717,-0.2 2,-0.4 718,-0.2 717,-0.2 -0.923 360.0-170.2-111.9 128.9 36.5 12.7 22.9 3 4 A L B -A 718 0A 2 715,-3.1 715,-3.1 -2,-0.5 8,-0.1 -0.947 7.8-153.3-118.9 138.8 32.8 13.8 22.3 4 5 A G - 0 0 1 -2,-0.4 2,-0.5 713,-0.2 7,-0.2 -0.102 31.0 -91.8 -88.3-166.5 29.7 11.9 23.4 5 6 A T > - 0 0 5 711,-0.2 3,-2.2 732,-0.1 6,-0.2 -0.947 45.5-104.8-111.4 126.0 26.2 12.1 21.8 6 7 A A T 3 S+ 0 0 1 28,-1.6 29,-0.1 -2,-0.5 7,-0.1 -0.143 103.9 14.4 -50.5 137.1 23.7 14.6 23.2 7 8 A L T 3 S+ 0 0 50 1,-0.3 -1,-0.2 5,-0.1 28,-0.0 0.318 106.0 107.1 81.7 -9.6 21.0 13.1 25.4 8 9 A R S X S- 0 0 60 -3,-2.2 3,-2.2 708,-0.1 -1,-0.3 -0.532 87.6-102.2 -93.5 161.1 23.0 9.8 25.7 9 10 A P T 3 S+ 0 0 98 0, 0.0 706,-0.1 0, 0.0 -2,-0.1 0.830 121.9 46.5 -56.2 -34.9 24.8 8.7 28.9 10 11 A A T 3 S+ 0 0 34 -5,-0.1 -6,-0.2 706,-0.1 -4,-0.1 0.190 85.6 147.6 -92.6 15.6 28.2 9.7 27.6 11 12 A A < - 0 0 1 -3,-2.2 2,-0.6 -6,-0.2 -5,-0.1 -0.112 51.9-126.7 -49.9 144.4 26.9 13.1 26.3 12 13 A T - 0 0 14 22,-0.3 24,-2.5 63,-0.0 2,-0.5 -0.869 32.7-150.8 -91.4 117.5 29.3 16.0 26.4 13 14 A R E -c 36 0B 51 -2,-0.6 63,-2.5 61,-0.2 64,-1.9 -0.871 16.5-173.7-107.2 127.5 27.4 18.8 28.4 14 15 A V E -cd 37 77B 0 22,-3.1 24,-3.0 -2,-0.5 2,-0.5 -0.942 7.0-160.7-113.8 129.0 27.8 22.5 28.0 15 16 A M E -cd 38 78B 0 62,-3.0 64,-3.4 -2,-0.4 2,-0.5 -0.956 6.9-153.1-112.8 123.5 26.0 25.0 30.2 16 17 A L E -cd 39 79B 1 22,-2.9 24,-2.3 -2,-0.5 2,-0.9 -0.838 2.6-156.2 -94.2 127.2 25.6 28.5 29.0 17 18 A L E S+cd 40 80B 0 62,-1.9 64,-3.2 -2,-0.5 65,-0.8 -0.883 81.3 25.1-101.7 94.2 25.3 31.2 31.7 18 19 A G - 0 0 0 22,-3.0 23,-0.2 -2,-0.9 22,-0.2 0.141 68.3-152.9 115.6 125.0 23.5 33.9 29.7 19 20 A S + 0 0 0 20,-0.1 29,-2.5 4,-0.1 30,-0.4 -0.132 44.4 130.6-126.0 40.1 21.3 33.0 26.7 20 21 A G S > S- 0 0 11 27,-0.2 4,-2.2 26,-0.1 28,-0.1 0.078 80.7 -71.5 -77.2-167.9 21.4 36.2 24.5 21 22 A E H > S+ 0 0 19 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.796 133.7 54.8 -60.2 -30.3 22.1 36.3 20.7 22 23 A L H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.949 109.8 43.8 -68.6 -52.5 25.7 35.5 21.4 23 24 A G H > S+ 0 0 0 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.844 104.9 67.1 -60.4 -30.6 25.0 32.3 23.4 24 25 A K H X S+ 0 0 7 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.932 105.6 40.1 -56.5 -45.4 22.4 31.4 20.7 25 26 A E H X S+ 0 0 11 -4,-1.1 4,-2.5 -3,-0.5 -1,-0.2 0.851 112.5 55.1 -73.5 -33.0 25.1 30.9 18.1 26 27 A V H X S+ 0 0 4 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.955 109.8 49.3 -61.4 -43.4 27.4 29.2 20.6 27 28 A A H X S+ 0 0 0 -4,-3.3 4,-3.0 1,-0.2 -2,-0.2 0.908 109.5 50.1 -59.9 -46.5 24.5 26.8 21.2 28 29 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.920 110.7 49.6 -59.4 -43.7 24.0 26.2 17.5 29 30 A E H < S+ 0 0 24 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.843 112.1 48.3 -66.0 -32.9 27.8 25.5 17.1 30 31 A C H ><>S+ 0 0 0 -4,-1.9 5,-2.6 -5,-0.2 3,-1.6 0.922 110.9 51.0 -67.4 -48.1 27.6 23.0 20.0 31 32 A Q H ><5S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.843 100.4 62.7 -58.8 -32.6 24.5 21.4 18.5 32 33 A R T 3<5S+ 0 0 24 -4,-1.9 701,-2.0 1,-0.3 -1,-0.3 0.664 108.1 43.7 -67.7 -18.0 26.3 21.0 15.2 33 34 A L T < 5S- 0 0 19 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.151 121.9-107.2-108.5 12.1 28.8 18.7 17.0 34 35 A G T < 5 + 0 0 3 -3,-1.7 -28,-1.6 699,-0.3 -22,-0.3 0.752 65.5 158.4 67.6 24.2 26.0 16.9 18.9 35 36 A V < - 0 0 1 -5,-2.6 2,-0.4 -30,-0.1 -1,-0.2 -0.647 45.3-118.6 -81.4 132.1 27.0 18.6 22.2 36 37 A E E -c 13 0B 10 -24,-2.5 -22,-3.1 -2,-0.3 2,-0.5 -0.617 32.2-155.6 -75.4 128.9 24.3 18.7 24.8 37 38 A V E -c 14 0B 0 -2,-0.4 16,-1.8 -24,-0.2 17,-1.7 -0.917 16.8-172.6-117.9 126.5 23.3 22.3 25.6 38 39 A I E -ce 15 54B 0 -24,-3.0 -22,-2.9 -2,-0.5 2,-0.6 -0.968 16.6-154.8-113.3 118.6 21.7 23.6 28.8 39 40 A A E -ce 16 55B 0 15,-2.5 17,-2.3 -2,-0.6 2,-0.4 -0.857 12.8-176.7-100.1 120.9 20.7 27.3 28.5 40 41 A V E +ce 17 56B 0 -24,-2.3 -22,-3.0 -2,-0.6 2,-0.3 -0.909 14.3 143.1-117.6 143.2 20.5 29.4 31.7 41 42 A D E - e 0 57B 18 15,-1.6 17,-2.2 -2,-0.4 3,-0.1 -0.886 58.4-101.6-159.7-176.8 19.3 33.0 32.0 42 43 A R S S+ 0 0 128 -2,-0.3 2,-0.3 15,-0.2 15,-0.1 0.369 104.0 40.7 -95.8 -4.0 17.4 35.4 34.2 43 44 A Y S > S- 0 0 60 13,-0.1 3,-0.6 15,-0.0 2,-0.1 -0.990 87.1-104.3-146.3 151.5 14.3 35.3 32.0 44 45 A A T 3 S+ 0 0 58 -2,-0.3 -2,-0.1 1,-0.2 -4,-0.0 -0.392 95.0 22.1 -78.7 150.7 12.4 32.6 30.0 45 46 A D T 3 S+ 0 0 59 1,-0.2 -1,-0.2 -2,-0.1 5,-0.1 0.790 78.4 169.9 65.6 26.8 12.5 32.0 26.3 46 47 A A X> - 0 0 0 -3,-0.6 3,-1.8 304,-0.1 4,-0.9 -0.371 50.2 -98.8 -65.0 146.2 15.8 33.8 26.0 47 48 A P G >4 S+ 0 0 0 0, 0.0 3,-1.1 0, 0.0 4,-0.4 0.781 121.8 48.5 -36.6 -56.3 17.3 33.3 22.5 48 49 A A G >4 S+ 0 0 0 -29,-2.5 3,-0.9 1,-0.2 -28,-0.1 0.742 102.1 66.8 -63.0 -23.7 19.7 30.5 23.3 49 50 A M G X4 S+ 0 0 18 -3,-1.8 3,-0.9 -30,-0.4 -1,-0.2 0.782 90.0 64.3 -66.3 -26.2 16.9 28.7 25.1 50 51 A H G << S+ 0 0 6 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.816 112.4 33.1 -65.6 -30.5 15.2 28.3 21.7 51 52 A V G < S+ 0 0 1 -3,-0.9 2,-0.2 -4,-0.4 -1,-0.2 0.086 99.9 102.2-112.9 15.5 18.0 26.0 20.5 52 53 A A S < S- 0 0 14 -3,-0.9 -14,-0.2 1,-0.1 3,-0.1 -0.655 71.7-130.7-100.3 156.5 19.0 24.3 23.7 53 54 A H S S+ 0 0 33 -16,-1.8 2,-0.3 1,-0.3 -15,-0.2 0.900 94.5 1.9 -70.3 -40.2 18.2 20.7 24.9 54 55 A R E -e 38 0B 84 -17,-1.7 -15,-2.5 -3,-0.0 2,-0.3 -0.987 69.0-156.5-147.0 152.5 17.0 22.2 28.3 55 56 A S E -e 39 0B 55 -2,-0.3 2,-0.3 -17,-0.2 -15,-0.2 -0.937 4.3-169.4-130.9 156.3 16.7 25.6 29.9 56 57 A H E -e 40 0B 49 -17,-2.3 -15,-1.6 -2,-0.3 2,-0.5 -0.997 12.6-146.9-141.4 147.2 16.6 27.0 33.4 57 58 A V E +e 41 0B 60 -2,-0.3 2,-0.3 -17,-0.2 -15,-0.2 -0.970 38.5 135.6-120.2 118.6 15.7 30.4 34.8 58 59 A I - 0 0 29 -17,-2.2 2,-1.1 -2,-0.5 -2,-0.1 -0.925 62.7 -83.8-149.9 171.7 17.6 31.6 37.9 59 60 A N > - 0 0 73 -2,-0.3 3,-1.6 1,-0.2 7,-0.2 -0.742 36.5-167.0 -86.1 101.5 19.4 34.5 39.4 60 61 A M T 3 S+ 0 0 8 -2,-1.1 26,-2.5 1,-0.3 -1,-0.2 0.639 85.7 60.4 -65.8 -15.0 22.9 34.2 37.9 61 62 A L T 3 S+ 0 0 87 24,-0.3 2,-0.8 25,-0.1 -1,-0.3 0.558 86.5 89.3 -88.1 -10.5 24.3 36.7 40.4 62 63 A D <> - 0 0 60 -3,-1.6 4,-2.4 1,-0.2 3,-0.5 -0.803 65.3-161.4 -89.4 103.4 23.2 34.3 43.3 63 64 A G H > S+ 0 0 16 -2,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.803 90.6 51.6 -54.4 -36.3 26.1 31.9 43.9 64 65 A D H > S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.865 108.8 50.2 -71.6 -35.4 23.9 29.4 45.7 65 66 A A H > S+ 0 0 4 -3,-0.5 4,-2.2 -6,-0.2 -2,-0.2 0.890 110.9 50.5 -67.8 -37.7 21.5 29.4 42.8 66 67 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -7,-0.2 5,-0.3 0.944 109.6 49.8 -64.2 -46.2 24.4 28.9 40.5 67 68 A R H X S+ 0 0 55 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.942 109.0 53.3 -61.4 -41.9 25.7 26.0 42.5 68 69 A R H X S+ 0 0 150 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.934 111.0 44.8 -59.9 -45.2 22.2 24.4 42.6 69 70 A V H X S+ 0 0 9 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.909 115.1 47.2 -69.2 -35.8 21.9 24.5 38.8 70 71 A V H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 112.7 49.3 -69.1 -39.8 25.4 23.2 38.1 71 72 A E H < S+ 0 0 108 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.923 113.9 48.3 -62.6 -40.8 24.9 20.4 40.7 72 73 A L H < S+ 0 0 114 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.892 122.5 29.5 -65.2 -46.0 21.6 19.6 39.0 73 74 A E H < S- 0 0 21 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.619 85.9-150.2 -94.5 -16.9 22.8 19.5 35.4 74 75 A K < - 0 0 142 -4,-2.3 -61,-0.2 -5,-0.2 -3,-0.1 0.915 22.1-166.8 45.5 57.7 26.5 18.4 35.9 75 76 A P - 0 0 8 0, 0.0 -61,-0.2 0, 0.0 24,-0.2 -0.435 26.6-144.1 -72.4 155.5 27.9 20.1 32.9 76 77 A H S S+ 0 0 87 -63,-2.5 23,-0.8 1,-0.3 2,-0.4 0.783 91.1 30.6 -83.2 -32.8 31.4 19.3 31.6 77 78 A Y E -df 14 99B 41 -64,-1.9 -62,-3.0 21,-0.1 2,-0.6 -0.995 64.6-155.7-132.1 134.1 31.8 23.0 30.6 78 79 A I E -df 15 100B 0 21,-2.6 23,-2.9 -2,-0.4 -62,-0.2 -0.951 17.8-169.5-105.4 118.1 30.3 26.2 32.2 79 80 A V E -d 16 0B 2 -64,-3.4 -62,-1.9 -2,-0.6 2,-0.1 -0.854 9.3-152.1-116.3 91.8 30.4 28.9 29.4 80 81 A P E -d 17 0B 2 0, 0.0 -62,-0.2 0, 0.0 3,-0.1 -0.435 12.9-175.8 -65.6 136.5 29.6 32.3 30.8 81 82 A E + 0 0 19 -64,-3.2 2,-0.3 -2,-0.1 -63,-0.2 0.484 67.1 34.3-111.3 -12.9 28.0 34.5 28.1 82 83 A I S S- 0 0 60 -65,-0.8 -1,-0.1 1,-0.0 -65,-0.1 -0.885 75.6-122.8-137.3 166.4 27.8 37.7 30.1 83 84 A E S S+ 0 0 40 -2,-0.3 2,-1.8 1,-0.2 4,-0.2 0.738 89.9 83.9 -83.0 -26.9 29.9 39.5 32.7 84 85 A A + 0 0 37 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.526 64.4 113.7 -87.1 79.6 27.3 39.7 35.4 85 86 A I S S- 0 0 2 -2,-1.8 2,-2.5 22,-0.1 -24,-0.3 -0.932 82.5 -87.0-138.7 160.8 27.5 36.4 37.1 86 87 A A >> + 0 0 14 -26,-2.5 4,-1.6 -2,-0.3 3,-1.2 -0.392 51.1 174.8 -71.5 76.6 28.5 35.1 40.5 87 88 A T H 3> S+ 0 0 5 -2,-2.5 4,-1.8 1,-0.3 -1,-0.2 0.758 71.2 60.9 -59.4 -29.3 32.2 34.8 39.6 88 89 A D H 3> S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.856 104.3 51.0 -67.1 -31.6 33.3 33.9 43.0 89 90 A M H <> S+ 0 0 27 -3,-1.2 4,-3.6 1,-0.2 5,-0.3 0.913 106.3 54.8 -70.0 -37.7 31.1 30.8 42.8 90 91 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.880 107.4 49.6 -60.8 -37.0 32.7 30.0 39.5 91 92 A I H X S+ 0 0 38 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.949 112.8 48.2 -64.3 -45.0 36.1 30.1 41.1 92 93 A Q H X S+ 0 0 77 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.970 113.7 45.4 -55.8 -57.8 34.8 27.8 43.8 93 94 A L H <>S+ 0 0 2 -4,-3.6 5,-2.4 1,-0.2 -1,-0.2 0.874 109.5 55.5 -57.6 -39.5 33.3 25.4 41.4 94 95 A E H ><5S+ 0 0 67 -4,-2.4 3,-1.6 -5,-0.3 -1,-0.2 0.938 107.8 49.5 -61.8 -39.3 36.4 25.5 39.2 95 96 A E H 3<5S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.921 105.7 58.4 -58.4 -46.1 38.4 24.4 42.3 96 97 A E T 3<5S- 0 0 92 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.346 134.5 -84.8 -67.1 3.0 35.8 21.7 42.8 97 98 A G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.317 83.5 135.1 112.4 -10.5 36.6 20.2 39.4 98 99 A L < - 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