==== 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 1KJJ . 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 . 771 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 574 74.4 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 . 1 0.1 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 . 74 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 0 0 2 1 6 1 5 1 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 48 0, 0.0 721,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 119.5 39.1 15.1 22.1 2 3 A L - 0 0 90 718,-0.2 2,-0.4 719,-0.1 718,-0.2 -0.959 360.0-171.3-115.1 128.2 36.2 12.8 22.7 3 4 A L B -A 719 0A 3 716,-2.7 716,-3.2 -2,-0.5 8,-0.1 -0.944 8.4-152.1-121.0 141.6 32.6 13.9 22.2 4 5 A G - 0 0 3 -2,-0.4 2,-0.5 714,-0.2 7,-0.2 -0.146 32.3 -90.1 -90.9-166.2 29.5 11.8 23.3 5 6 A T > - 0 0 5 712,-0.2 3,-2.4 733,-0.1 6,-0.2 -0.919 46.3-104.9-110.7 128.1 26.0 12.0 21.6 6 7 A A T 3 S+ 0 0 1 28,-1.4 29,-0.1 -2,-0.5 7,-0.1 -0.267 104.6 16.0 -56.6 144.6 23.6 14.4 23.1 7 8 A L T 3 S+ 0 0 47 1,-0.3 -1,-0.3 5,-0.1 28,-0.0 0.239 105.1 107.7 77.7 -7.4 20.9 12.9 25.3 8 9 A R S X S- 0 0 56 -3,-2.4 3,-2.4 709,-0.1 -1,-0.3 -0.529 87.5-103.8 -94.1 163.4 22.9 9.6 25.5 9 10 A P T 3 S+ 0 0 99 0, 0.0 707,-0.1 0, 0.0 -1,-0.1 0.851 121.9 46.8 -54.8 -36.2 24.6 8.6 28.7 10 11 A A T 3 S+ 0 0 39 -5,-0.1 -6,-0.2 707,-0.1 -4,-0.1 0.241 85.8 145.7 -90.1 12.8 28.1 9.6 27.4 11 12 A A < - 0 0 2 -3,-2.4 2,-0.6 -6,-0.2 -5,-0.1 -0.024 52.3-124.6 -50.4 150.0 26.8 12.9 26.2 12 13 A T - 0 0 16 22,-0.3 24,-2.9 -8,-0.1 2,-0.5 -0.904 32.3-149.4 -97.5 118.9 29.1 16.0 26.4 13 14 A R E -c 36 0B 47 -2,-0.6 63,-2.6 61,-0.2 64,-2.1 -0.915 17.5-174.3-107.7 130.6 27.2 18.7 28.3 14 15 A V E -cd 37 77B 0 22,-3.3 24,-2.6 -2,-0.5 2,-0.5 -0.966 8.1-159.5-116.8 128.4 27.4 22.4 28.0 15 16 A M E -cd 38 78B 0 62,-3.3 64,-3.7 -2,-0.4 2,-0.5 -0.932 7.1-154.8-108.6 123.6 25.6 24.8 30.3 16 17 A L E -cd 39 79B 2 22,-3.1 24,-2.5 -2,-0.5 2,-0.8 -0.867 2.3-159.2 -99.0 127.1 25.1 28.4 29.0 17 18 A L E S+cd 40 80B 0 62,-2.3 64,-3.5 -2,-0.5 65,-0.8 -0.871 81.1 28.2-107.1 95.4 24.7 31.1 31.7 18 19 A G - 0 0 0 22,-2.7 23,-0.2 -2,-0.8 -1,-0.1 0.225 69.2-154.6 112.5 118.8 23.0 33.7 29.8 19 20 A S + 0 0 0 20,-0.1 29,-2.6 4,-0.1 30,-0.5 -0.257 43.8 136.2-117.1 39.4 20.7 32.7 26.8 20 21 A G S > S- 0 0 6 27,-0.2 4,-2.3 26,-0.1 28,-0.3 -0.014 77.2 -79.1 -75.8-177.9 20.8 35.9 24.6 21 22 A E H > S+ 0 0 15 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.711 133.8 53.0 -59.5 -29.1 21.3 36.0 20.9 22 23 A L H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.923 110.6 46.4 -72.0 -45.3 25.0 35.5 21.3 23 24 A G H > S+ 0 0 3 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.884 104.5 65.3 -61.1 -36.1 24.4 32.3 23.4 24 25 A K H X S+ 0 0 7 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.898 104.3 42.8 -56.1 -44.5 21.9 31.3 20.8 25 26 A E H X S+ 0 0 10 -4,-1.0 4,-2.6 -3,-0.5 -1,-0.2 0.874 110.4 54.6 -71.9 -35.2 24.6 30.9 18.2 26 27 A V H X S+ 0 0 6 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.944 108.8 51.4 -61.3 -42.5 26.9 29.2 20.6 27 28 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.903 108.4 49.8 -59.2 -44.5 24.1 26.7 21.2 28 29 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.926 110.4 50.9 -63.2 -40.5 23.6 26.1 17.4 29 30 A E H < S+ 0 0 23 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.881 111.6 46.9 -65.9 -34.2 27.2 25.5 17.1 30 31 A C H ><>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 3,-1.5 0.940 112.2 50.4 -68.5 -45.0 27.2 23.0 20.0 31 32 A Q H ><5S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 -2,-0.2 0.856 100.6 63.5 -61.6 -34.5 24.1 21.3 18.5 32 33 A R T 3<5S+ 0 0 22 -4,-2.3 702,-1.6 1,-0.3 -1,-0.3 0.699 107.3 44.3 -63.7 -18.7 25.9 21.0 15.2 33 34 A L T < 5S- 0 0 21 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.121 121.6-106.3-107.7 12.5 28.4 18.8 16.9 34 35 A G T < 5 + 0 0 2 -3,-1.9 -28,-1.4 700,-0.3 -22,-0.3 0.763 67.5 157.1 67.5 24.3 25.8 16.7 18.8 35 36 A V < - 0 0 0 -5,-2.6 2,-0.4 -6,-0.1 -1,-0.2 -0.630 45.3-118.2 -83.0 136.2 26.8 18.5 22.1 36 37 A E E -c 13 0B 9 -24,-2.9 -22,-3.3 -2,-0.3 2,-0.5 -0.595 31.9-157.6 -79.0 132.0 24.1 18.6 24.7 37 38 A V E -c 14 0B 0 -2,-0.4 16,-1.9 -24,-0.2 17,-1.6 -0.929 18.4-176.4-123.0 124.2 23.0 22.1 25.7 38 39 A I E -ce 15 54B 0 -24,-2.6 -22,-3.1 -2,-0.5 2,-0.5 -0.965 18.9-153.9-114.8 120.7 21.3 23.3 28.8 39 40 A A E -ce 16 55B 0 15,-2.6 17,-2.1 -2,-0.5 2,-0.4 -0.884 11.9-174.4-104.7 127.4 20.4 27.0 28.6 40 41 A V E +ce 17 56B 0 -24,-2.5 -22,-2.7 -2,-0.5 2,-0.3 -0.902 15.3 142.0-118.5 141.4 20.1 29.2 31.7 41 42 A D E - e 0 57B 15 15,-1.5 17,-1.9 -2,-0.4 3,-0.0 -0.926 57.7-100.7-159.0-173.2 18.9 32.8 32.1 42 43 A R S S+ 0 0 142 -2,-0.3 2,-0.3 15,-0.2 15,-0.1 0.279 103.5 37.8-100.9 5.0 17.0 35.1 34.3 43 44 A Y S > S- 0 0 72 13,-0.2 3,-0.6 15,-0.0 2,-0.1 -0.966 87.5-103.1-150.8 156.0 13.8 35.0 32.1 44 45 A A T 3 S+ 0 0 58 -2,-0.3 -2,-0.1 1,-0.2 -4,-0.0 -0.430 93.7 24.9 -86.9 161.6 12.0 32.3 30.1 45 46 A D T 3 S+ 0 0 64 1,-0.2 -1,-0.2 -2,-0.1 5,-0.1 0.705 77.9 170.1 61.1 24.8 12.0 31.8 26.4 46 47 A A X> - 0 0 0 -3,-0.6 3,-2.2 304,-0.1 4,-0.9 -0.357 48.4-100.0 -65.7 145.0 15.3 33.5 26.0 47 48 A P G >4 S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.803 119.7 47.4 -32.3 -60.2 16.8 33.1 22.6 48 49 A A G >4 S+ 0 0 0 -29,-2.6 3,-1.1 -28,-0.3 -28,-0.1 0.773 102.1 66.4 -63.5 -23.3 19.3 30.3 23.2 49 50 A M G X4 S+ 0 0 18 -3,-2.2 3,-1.1 -30,-0.5 -1,-0.3 0.773 88.2 69.7 -67.6 -20.4 16.6 28.3 25.1 50 51 A H G << S+ 0 0 5 -3,-1.7 -1,-0.3 -4,-0.9 -2,-0.2 0.831 110.3 30.8 -64.6 -27.8 14.9 28.0 21.8 51 52 A V G < S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.4 2,-0.3 0.072 99.0 105.7-118.0 22.9 17.6 25.7 20.6 52 53 A A S < S- 0 0 12 -3,-1.1 -14,-0.2 1,-0.1 3,-0.1 -0.686 70.6-130.0-101.2 160.3 18.6 24.1 23.8 53 54 A H S S- 0 0 34 -16,-1.9 2,-0.3 1,-0.3 -15,-0.2 0.902 93.8 -0.8 -70.6 -40.8 17.9 20.5 24.9 54 55 A R E -e 38 0B 79 -17,-1.6 -15,-2.6 -3,-0.0 2,-0.3 -0.988 68.4-153.9-147.0 156.5 16.7 21.9 28.4 55 56 A S E -e 39 0B 50 -2,-0.3 2,-0.3 -17,-0.2 -15,-0.2 -0.967 6.1-171.5-135.0 150.2 16.3 25.3 30.0 56 57 A H E -e 40 0B 50 -17,-2.1 -15,-1.5 -2,-0.3 2,-0.4 -0.961 11.6-150.7-137.8 151.5 16.3 26.7 33.5 57 58 A V E +e 41 0B 57 -2,-0.3 2,-0.3 -17,-0.2 -15,-0.2 -0.994 38.2 130.2-125.8 118.3 15.5 30.1 34.9 58 59 A I - 0 0 28 -17,-1.9 2,-0.9 -2,-0.4 3,-0.0 -0.892 65.3 -75.1-153.4-177.5 17.2 31.2 38.1 59 60 A N > - 0 0 68 -2,-0.3 3,-1.2 1,-0.2 7,-0.3 -0.828 38.1-171.4 -93.7 105.7 19.1 34.0 39.8 60 61 A M T 3 S+ 0 0 8 -2,-0.9 26,-2.9 1,-0.3 -1,-0.2 0.525 85.7 62.8 -76.1 -8.6 22.6 33.5 38.2 61 62 A L T 3 S+ 0 0 104 24,-0.3 2,-0.9 25,-0.1 -1,-0.3 0.600 85.3 91.2 -88.3 -13.7 23.8 36.0 40.7 62 63 A D <> - 0 0 52 -3,-1.2 4,-3.3 1,-0.2 5,-0.3 -0.706 62.6-164.1 -88.1 105.0 22.9 33.6 43.3 63 64 A G H > S+ 0 0 17 -2,-0.9 4,-2.6 1,-0.3 -1,-0.2 0.895 91.7 49.0 -55.3 -38.9 25.8 31.3 44.1 64 65 A D H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.952 110.5 49.4 -68.7 -44.3 23.8 28.9 45.8 65 66 A A H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.886 111.0 52.4 -57.9 -44.0 21.2 28.8 43.0 66 67 A L H X S+ 0 0 0 -4,-3.3 4,-2.6 -7,-0.3 5,-0.3 0.953 106.8 51.4 -61.7 -46.9 24.0 28.3 40.6 67 68 A R H X S+ 0 0 55 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.932 107.2 54.5 -60.9 -36.0 25.3 25.5 42.5 68 69 A R H X S+ 0 0 147 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.942 109.7 44.3 -61.7 -44.5 22.0 23.8 42.5 69 70 A V H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.888 113.6 51.0 -69.7 -35.2 21.5 23.8 38.8 70 71 A V H X S+ 0 0 16 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.920 111.5 48.8 -66.8 -37.1 25.0 22.7 38.2 71 72 A E H < S+ 0 0 111 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.951 113.2 48.9 -64.4 -43.3 24.5 19.9 40.6 72 73 A L H < S+ 0 0 108 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.929 122.8 27.1 -65.7 -43.6 21.3 19.0 38.9 73 74 A E H < S- 0 0 19 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.638 85.9-148.3 -97.6 -11.2 22.5 19.0 35.2 74 75 A K < - 0 0 131 -4,-2.4 -61,-0.2 -5,-0.3 -3,-0.1 0.882 22.2-167.1 43.8 57.5 26.2 18.1 35.8 75 76 A P - 0 0 8 0, 0.0 -61,-0.2 0, 0.0 24,-0.2 -0.397 25.8-144.9 -72.0 151.0 27.5 20.0 32.8 76 77 A H S S+ 0 0 87 -63,-2.6 23,-1.4 1,-0.2 2,-0.4 0.812 90.0 34.2 -78.6 -34.9 31.2 19.4 31.6 77 78 A Y E -df 14 99B 38 -64,-2.1 -62,-3.3 21,-0.1 2,-0.5 -0.956 64.5-156.7-127.0 140.6 31.3 23.1 30.6 78 79 A I E -df 15 100B 0 21,-3.2 23,-3.1 -2,-0.4 -62,-0.2 -0.960 16.9-169.1-114.7 119.9 29.9 26.2 32.1 79 80 A V E -d 16 0B 7 -64,-3.7 -62,-2.3 -2,-0.5 2,-0.2 -0.853 4.9-158.4-119.3 97.4 29.6 29.0 29.5 80 81 A P E -d 17 0B 4 0, 0.0 -62,-0.2 0, 0.0 3,-0.1 -0.464 12.3-176.6 -75.8 135.7 28.8 32.5 30.7 81 82 A E + 0 0 35 -64,-3.5 2,-0.3 -2,-0.2 -63,-0.2 0.570 67.4 35.3-106.1 -16.7 27.4 34.9 28.2 82 83 A I S S- 0 0 53 -65,-0.8 3,-0.1 1,-0.1 -65,-0.1 -0.848 76.7-115.6-135.0 172.0 27.2 38.0 30.5 83 84 A E S S+ 0 0 57 -2,-0.3 2,-1.7 1,-0.2 4,-0.2 0.777 91.1 83.9 -76.0 -33.5 29.1 39.7 33.4 84 85 A A + 0 0 50 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.475 62.8 109.8 -79.8 71.0 26.4 39.3 36.1 85 86 A I S S- 0 0 2 -2,-1.7 2,-2.6 22,-0.1 -24,-0.3 -0.959 84.1 -86.3-140.5 158.6 26.9 35.9 37.5 86 87 A A >> + 0 0 14 -26,-2.9 4,-1.9 -2,-0.3 3,-0.9 -0.339 48.7 175.5 -63.6 74.2 28.1 34.5 40.8 87 88 A T H 3> S+ 0 0 9 -2,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.815 74.4 60.6 -57.0 -27.1 31.8 34.6 39.8 88 89 A D H 3> S+ 0 0 112 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.893 106.4 44.7 -68.5 -35.1 32.8 33.5 43.3 89 90 A M H <> S+ 0 0 25 -3,-0.9 4,-3.8 2,-0.2 5,-0.3 0.874 107.7 59.6 -73.1 -31.8 30.9 30.3 42.9 90 91 A L H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.920 104.4 51.1 -59.5 -42.3 32.3 29.8 39.4 91 92 A I H X S+ 0 0 36 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.942 110.4 48.7 -60.3 -43.2 35.6 29.8 41.0 92 93 A Q H X S+ 0 0 78 -4,-1.7 4,-3.7 1,-0.2 3,-0.2 0.950 112.6 47.2 -60.3 -49.8 34.5 27.2 43.5 93 94 A L H <>S+ 0 0 7 -4,-3.8 5,-3.0 1,-0.3 -1,-0.2 0.908 107.6 54.8 -61.7 -39.9 33.0 25.0 40.9 94 95 A E H ><5S+ 0 0 69 -4,-2.8 3,-1.0 -5,-0.3 -1,-0.3 0.903 112.8 43.9 -62.3 -34.2 36.1 25.3 38.8 95 96 A E H 3<5S+ 0 0 139 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.894 105.9 61.4 -72.7 -40.4 38.1 24.1 41.8 96 97 A E T 3<5S- 0 0 101 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.2 0.241 136.6 -88.0 -68.5 18.1 35.4 21.4 42.4 97 98 A G T < 5S+ 0 0 70 -3,-1.0 -3,-0.2 1,-0.2 2,-0.2 0.146 83.5 137.7 94.6 -8.5 36.4 20.1 38.9 98 99 A L < - 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