==== 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 1KJI . 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 . 778 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 21.1 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 . 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 . 75 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 . 186 23.9 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 0 6 2 6 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 2 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, 0.0 728,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 120.6 39.4 15.0 22.1 2 3 A L - 0 0 89 725,-0.2 2,-0.4 726,-0.2 725,-0.2 -0.957 360.0-170.6-116.3 127.0 36.4 12.8 22.7 3 4 A L B -A 726 0A 3 723,-2.7 723,-3.5 -2,-0.4 8,-0.1 -0.949 8.5-152.1-118.8 137.7 32.8 13.9 22.2 4 5 A G - 0 0 3 -2,-0.4 2,-0.5 721,-0.2 7,-0.2 -0.110 32.5 -90.2 -89.0-165.6 29.7 11.9 23.3 5 6 A T > - 0 0 5 719,-0.2 3,-2.4 740,-0.1 6,-0.3 -0.941 46.1-105.0-111.9 123.8 26.2 12.0 21.8 6 7 A A T 3 S+ 0 0 1 28,-1.7 29,-0.1 -2,-0.5 7,-0.1 -0.175 104.7 14.5 -48.5 138.1 23.8 14.6 23.2 7 8 A L T 3 S+ 0 0 48 1,-0.3 -1,-0.2 5,-0.1 28,-0.0 0.247 105.0 107.1 81.0 -9.7 21.1 13.0 25.4 8 9 A R S X S- 0 0 59 -3,-2.4 3,-2.0 716,-0.1 -1,-0.3 -0.510 87.9-101.6 -92.9 162.8 23.1 9.7 25.6 9 10 A P T 3 S+ 0 0 97 0, 0.0 714,-0.1 0, 0.0 -1,-0.1 0.835 122.7 46.3 -55.7 -34.1 24.9 8.6 28.8 10 11 A A T 3 S+ 0 0 38 -5,-0.1 -6,-0.2 714,-0.1 -4,-0.1 0.210 85.6 145.6 -93.1 13.4 28.3 9.6 27.5 11 12 A A < - 0 0 1 -3,-2.0 2,-0.6 -6,-0.3 -5,-0.1 -0.102 52.3-124.9 -51.9 147.3 27.0 13.0 26.2 12 13 A T - 0 0 15 22,-0.4 24,-2.9 -8,-0.1 2,-0.5 -0.854 32.8-152.7 -94.7 123.4 29.3 16.1 26.4 13 14 A R E -c 36 0B 47 -2,-0.6 63,-2.7 22,-0.2 64,-2.0 -0.909 16.2-173.9-112.6 129.5 27.4 18.7 28.3 14 15 A V E -cd 37 77B 0 22,-3.0 24,-2.5 -2,-0.5 2,-0.5 -0.956 9.9-155.8-116.5 129.4 27.7 22.5 28.0 15 16 A M E -cd 38 78B 0 62,-3.7 64,-3.5 -2,-0.4 2,-0.6 -0.926 7.4-152.3-107.5 125.0 25.9 24.9 30.4 16 17 A L E -cd 39 79B 2 22,-3.1 24,-2.7 -2,-0.5 2,-0.9 -0.876 2.1-160.4 -97.3 125.8 25.3 28.4 29.0 17 18 A L E S+cd 40 80B 0 62,-2.2 64,-3.6 -2,-0.6 65,-0.8 -0.861 80.3 26.6-106.7 90.7 25.1 31.1 31.7 18 19 A G - 0 0 0 22,-2.6 23,-0.2 -2,-0.9 -1,-0.1 0.264 69.5-154.2 117.3 118.7 23.3 33.8 29.8 19 20 A S + 0 0 0 20,-0.1 29,-3.0 4,-0.1 30,-0.5 -0.227 44.1 132.6-114.6 39.1 21.0 32.8 26.9 20 21 A G S > S- 0 0 6 27,-0.2 4,-2.0 26,-0.1 28,-0.2 0.030 78.3 -76.9 -75.4-171.3 21.1 35.9 24.6 21 22 A E H > S+ 0 0 13 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.697 133.2 53.6 -64.2 -25.4 21.6 36.1 20.9 22 23 A L H > S+ 0 0 21 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.926 110.9 44.9 -75.4 -45.4 25.3 35.5 21.4 23 24 A G H > S+ 0 0 5 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.836 105.3 65.4 -62.7 -32.8 24.7 32.4 23.4 24 25 A K H X S+ 0 0 6 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.909 104.1 43.9 -57.0 -43.5 22.1 31.4 20.8 25 26 A E H X S+ 0 0 10 -4,-1.0 4,-2.4 -3,-0.4 -1,-0.2 0.864 110.7 53.9 -71.0 -36.8 24.9 31.0 18.2 26 27 A V H X S+ 0 0 6 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.932 109.1 50.1 -61.8 -45.2 27.1 29.2 20.7 27 28 A A H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.934 109.5 50.7 -57.9 -46.0 24.3 26.8 21.3 28 29 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.898 110.8 49.0 -59.6 -41.6 23.8 26.2 17.5 29 30 A E H < S+ 0 0 23 -4,-2.4 4,-0.5 2,-0.2 -1,-0.2 0.887 111.6 48.7 -66.9 -36.3 27.5 25.5 17.1 30 31 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-1.3 0.926 111.1 50.6 -66.1 -45.6 27.4 23.1 20.0 31 32 A Q H ><5S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -2,-0.2 0.828 99.8 64.3 -61.4 -32.2 24.4 21.3 18.6 32 33 A R T 3<5S+ 0 0 21 -4,-1.9 709,-2.0 1,-0.3 -1,-0.3 0.708 107.6 43.2 -64.9 -20.6 26.1 21.1 15.2 33 34 A L T < 5S- 0 0 21 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.162 121.3-107.2-106.7 11.5 28.6 18.8 17.0 34 35 A G T < 5 + 0 0 3 -3,-1.7 -28,-1.7 707,-0.3 -22,-0.4 0.777 66.2 157.1 65.7 26.7 26.0 16.8 18.9 35 36 A V < - 0 0 0 -5,-2.7 2,-0.3 -30,-0.1 -1,-0.2 -0.665 45.5-117.5 -84.6 138.8 27.0 18.6 22.1 36 37 A E E -c 13 0B 9 -24,-2.9 -22,-3.0 -2,-0.3 2,-0.5 -0.613 31.8-155.6 -80.9 130.3 24.3 18.6 24.8 37 38 A V E -c 14 0B 0 -2,-0.3 17,-1.8 -24,-0.2 16,-1.6 -0.938 18.2-175.4-120.5 126.2 23.2 22.2 25.8 38 39 A I E -ce 15 54B 0 -24,-2.5 -22,-3.1 -2,-0.5 2,-0.5 -0.976 18.6-154.6-116.5 116.2 21.6 23.5 28.9 39 40 A A E -ce 16 55B 0 15,-2.6 17,-2.1 -2,-0.5 2,-0.3 -0.854 11.9-174.3 -99.0 125.9 20.6 27.1 28.7 40 41 A V E +ce 17 56B 0 -24,-2.7 -22,-2.6 -2,-0.5 2,-0.3 -0.901 15.9 139.3-120.2 144.6 20.4 29.2 31.8 41 42 A D E - e 0 57B 17 15,-1.4 17,-2.1 -2,-0.3 3,-0.0 -0.934 58.0-100.5-163.7-177.6 19.2 32.9 32.2 42 43 A R S S+ 0 0 145 -2,-0.3 2,-0.3 15,-0.2 15,-0.1 0.322 103.0 39.3 -97.7 1.6 17.2 35.2 34.4 43 44 A Y S > S- 0 0 68 13,-0.2 3,-0.6 15,-0.0 2,-0.1 -0.973 87.9-103.3-145.8 156.4 14.0 35.2 32.2 44 45 A A T 3 S+ 0 0 57 -2,-0.3 -2,-0.1 1,-0.2 -4,-0.0 -0.425 93.6 23.9 -86.0 161.5 12.2 32.5 30.2 45 46 A D T 3 S+ 0 0 65 1,-0.2 -1,-0.2 -2,-0.1 5,-0.1 0.723 77.8 171.2 60.4 25.3 12.2 31.8 26.5 46 47 A A X> - 0 0 0 -3,-0.6 3,-1.7 307,-0.1 4,-0.9 -0.336 48.6 -99.9 -62.8 146.0 15.5 33.6 26.1 47 48 A P G >4 S+ 0 0 0 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.789 120.2 48.8 -35.2 -55.2 17.0 33.2 22.6 48 49 A A G >4 S+ 0 0 0 -29,-3.0 3,-1.0 1,-0.3 -28,-0.1 0.785 102.2 64.5 -63.5 -26.7 19.5 30.4 23.4 49 50 A M G X4 S+ 0 0 16 -3,-1.7 3,-1.2 -30,-0.5 -1,-0.3 0.796 89.3 68.7 -67.4 -22.9 16.9 28.4 25.2 50 51 A H G << S+ 0 0 5 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.813 110.9 30.9 -64.0 -28.7 15.1 28.1 21.9 51 52 A V G < S+ 0 0 0 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.3 -0.002 99.8 104.4-115.9 24.0 17.8 25.8 20.6 52 53 A A S < S- 0 0 11 -3,-1.2 -14,-0.2 1,-0.1 3,-0.1 -0.739 72.1-128.8-104.6 159.9 18.9 24.1 23.8 53 54 A H S S+ 0 0 33 -16,-1.6 2,-0.3 -2,-0.3 -15,-0.2 0.916 93.5 1.1 -69.3 -41.9 18.1 20.6 25.0 54 55 A R E -e 38 0B 81 -17,-1.8 -15,-2.6 -3,-0.1 2,-0.3 -0.985 67.9-153.5-145.1 156.8 17.0 22.0 28.4 55 56 A S E -e 39 0B 51 -2,-0.3 2,-0.3 -17,-0.2 -15,-0.2 -0.966 6.2-172.4-134.8 150.8 16.6 25.3 30.1 56 57 A H E -e 40 0B 48 -17,-2.1 -15,-1.4 -2,-0.3 2,-0.5 -0.965 13.4-148.5-137.7 151.5 16.5 26.8 33.6 57 58 A V E +e 41 0B 59 -2,-0.3 2,-0.3 -17,-0.2 -15,-0.2 -0.986 38.2 137.2-124.0 116.3 15.7 30.2 34.9 58 59 A I - 0 0 29 -17,-2.1 2,-1.1 -2,-0.5 3,-0.1 -0.875 62.8 -82.9-146.8-178.7 17.6 31.3 38.1 59 60 A N > - 0 0 68 -2,-0.3 3,-1.5 1,-0.2 7,-0.2 -0.820 39.2-168.6 -92.3 101.2 19.4 34.1 39.8 60 61 A M T 3 S+ 0 0 9 -2,-1.1 26,-2.5 1,-0.3 -1,-0.2 0.620 84.8 59.3 -69.0 -12.3 22.8 33.7 38.2 61 62 A L T 3 S+ 0 0 102 24,-0.3 2,-0.9 25,-0.1 -1,-0.3 0.604 84.8 92.0 -88.3 -13.5 24.3 36.1 40.6 62 63 A D <> - 0 0 50 -3,-1.5 4,-2.5 1,-0.2 3,-0.3 -0.718 65.1-159.7 -84.3 106.3 23.2 33.8 43.4 63 64 A G H > S+ 0 0 18 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.850 90.9 49.7 -56.1 -34.9 26.2 31.5 44.0 64 65 A D H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.885 108.9 50.9 -73.3 -35.6 24.1 28.9 45.7 65 66 A A H > S+ 0 0 2 -3,-0.3 4,-2.5 -6,-0.2 -2,-0.2 0.885 111.1 51.5 -64.2 -41.0 21.5 28.9 43.0 66 67 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -7,-0.2 5,-0.2 0.933 108.1 49.0 -62.5 -49.5 24.3 28.4 40.6 67 68 A R H X S+ 0 0 70 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.927 109.7 54.9 -61.5 -38.0 25.8 25.5 42.5 68 69 A R H X S+ 0 0 125 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.953 109.8 43.2 -60.8 -47.1 22.3 24.0 42.6 69 70 A V H X S+ 0 0 8 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.919 114.2 51.7 -65.3 -37.1 21.8 24.1 38.9 70 71 A V H X S+ 0 0 14 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.900 110.7 47.8 -64.6 -39.8 25.3 22.9 38.3 71 72 A E H < S+ 0 0 106 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.898 113.7 49.1 -65.7 -39.9 24.8 20.0 40.6 72 73 A L H < S+ 0 0 106 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.905 123.3 28.2 -66.3 -46.8 21.5 19.1 39.0 73 74 A E H < S- 0 0 20 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.680 85.3-152.6 -92.3 -18.3 22.8 19.2 35.4 74 75 A K < - 0 0 137 -4,-2.6 -61,-0.2 -5,-0.3 -3,-0.1 0.875 20.8-170.0 44.3 57.3 26.4 18.2 35.9 75 76 A P - 0 0 10 0, 0.0 -61,-0.2 0, 0.0 24,-0.1 -0.373 27.4-142.5 -72.0 155.5 27.8 20.0 32.8 76 77 A H S S+ 0 0 85 -63,-2.7 23,-1.4 1,-0.2 2,-0.4 0.807 90.0 33.7 -83.4 -33.1 31.4 19.4 31.6 77 78 A Y E -df 14 99B 36 -64,-2.0 -62,-3.7 21,-0.1 2,-0.5 -0.974 63.3-157.8-128.7 141.2 31.6 23.1 30.7 78 79 A I E -df 15 100B 0 21,-2.4 23,-3.1 -2,-0.4 -62,-0.2 -0.981 16.1-171.4-116.8 118.5 30.1 26.3 32.1 79 80 A V E -d 16 0B 7 -64,-3.5 -62,-2.2 -2,-0.5 2,-0.2 -0.876 6.8-157.2-118.1 95.2 30.0 29.1 29.4 80 81 A P E -d 17 0B 3 0, 0.0 -62,-0.2 0, 0.0 3,-0.1 -0.498 12.4-172.8 -75.8 140.4 29.0 32.6 30.7 81 82 A E + 0 0 36 -64,-3.6 2,-0.2 -2,-0.2 -63,-0.2 0.562 68.3 39.8-104.5 -18.5 27.6 35.0 28.2 82 83 A I S S- 0 0 54 -65,-0.8 3,-0.1 1,-0.1 -65,-0.1 -0.825 74.1-121.4-129.7 169.4 27.5 38.1 30.6 83 84 A E S S+ 0 0 50 -2,-0.2 2,-2.4 1,-0.2 4,-0.2 0.837 91.4 83.6 -78.9 -37.6 29.6 39.8 33.3 84 85 A A + 0 0 54 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.316 64.7 113.5 -70.2 65.6 26.9 39.6 36.0 85 86 A I S S- 0 0 1 -2,-2.4 2,-2.6 22,-0.1 -24,-0.3 -0.937 82.1 -88.4-135.1 161.2 27.3 36.1 37.4 86 87 A A >> + 0 0 12 -26,-2.5 4,-1.9 -2,-0.3 3,-1.0 -0.335 48.7 175.8 -66.3 73.1 28.5 34.7 40.8 87 88 A T H 3> S+ 0 0 10 -2,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.833 72.2 60.0 -52.0 -33.8 32.2 34.7 39.9 88 89 A D H 3> S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.894 106.8 46.7 -65.4 -35.3 33.2 33.5 43.3 89 90 A M H <> S+ 0 0 30 -3,-1.0 4,-3.4 2,-0.2 5,-0.3 0.880 106.9 56.9 -74.0 -34.4 31.2 30.4 42.9 90 91 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.930 106.9 50.3 -61.1 -40.2 32.6 29.8 39.4 91 92 A I H X S+ 0 0 39 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.956 111.2 49.4 -59.0 -46.4 36.0 29.8 41.0 92 93 A Q H X S+ 0 0 79 -4,-1.9 4,-2.6 1,-0.2 3,-0.2 0.954 113.1 45.6 -54.5 -55.3 34.8 27.3 43.6 93 94 A L H <>S+ 0 0 9 -4,-3.4 5,-3.4 1,-0.2 -1,-0.2 0.856 108.2 55.8 -60.8 -35.9 33.3 25.1 41.0 94 95 A E H ><5S+ 0 0 69 -4,-2.4 3,-0.9 -5,-0.3 -1,-0.2 0.896 110.2 46.6 -66.3 -35.2 36.4 25.3 38.8 95 96 A E H 3<5S+ 0 0 135 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 104.9 59.4 -68.9 -43.4 38.4 24.1 41.7 96 97 A E T 3<5S- 0 0 126 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.344 136.3 -91.4 -66.7 7.9 35.8 21.3 42.4 97 98 A G T < 5S+ 0 0 63 -3,-0.9 -3,-0.2 1,-0.3 2,-0.2 0.296 80.5 140.6 98.4 -3.8 36.8 20.3 38.8 98 99 A L < - 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