==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-OCT-09 3KCQ . COMPND 2 MOLECULE: PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANAPLASMA PHAGOCYTOPHILUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 824 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 553 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 9.2 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 61 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.4 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 0 0 4 4 4 3 5 0 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 12 4 0 0 4 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 0 4 4 0 0 4 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 0 0 0 0 4 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 A K 0 0 87 0, 0.0 29,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 78.8 14.9 63.7 33.0 2 4 A E + 0 0 154 27,-1.2 2,-0.6 1,-0.4 28,-0.2 0.319 360.0 40.6-128.8 -72.3 16.1 60.1 32.4 3 5 A L E S-a 30 0A 23 26,-1.3 28,-2.5 75,-0.0 2,-0.5 -0.705 76.9-156.5 -79.4 121.1 17.9 60.0 29.0 4 6 A R E -a 31 0A 92 -2,-0.6 74,-2.7 72,-0.2 75,-1.5 -0.883 11.0-163.0-101.6 121.7 19.9 63.2 28.6 5 7 A V E -ab 32 79A 4 26,-3.4 28,-2.1 -2,-0.5 29,-1.1 -0.829 14.0-159.9-109.1 141.8 20.7 64.2 25.0 6 8 A G E -ab 34 80A 0 73,-2.2 75,-3.3 -2,-0.3 2,-0.5 -0.985 13.4-156.4-113.0 131.8 23.2 66.6 23.4 7 9 A V E -ab 35 81A 0 27,-1.9 29,-2.5 -2,-0.4 2,-0.5 -0.933 0.8-155.5-113.9 125.5 22.5 67.8 19.9 8 10 A L E +ab 36 82A 0 73,-2.6 75,-2.3 -2,-0.5 77,-0.4 -0.853 23.1 172.3-100.1 125.7 25.3 69.1 17.6 9 11 A I E +a 37 0A 0 27,-3.2 29,-1.1 -2,-0.5 30,-0.3 -0.880 32.1 176.3-132.2 159.8 24.2 71.5 14.8 10 12 A S S S+ 0 0 7 73,-0.4 31,-0.1 74,-0.3 75,-0.1 0.397 72.9 16.7-129.5 -10.6 25.7 73.8 12.1 11 13 A G S S- 0 0 31 72,-0.3 33,-2.7 31,-0.2 34,-0.3 -0.081 111.2 -21.1-136.1-136.5 22.5 75.2 10.4 12 14 A R - 0 0 196 31,-0.2 35,-0.1 30,-0.1 72,-0.1 0.684 66.4-140.2 -64.5 -24.8 18.8 75.8 10.5 13 15 A G > + 0 0 7 70,-0.2 4,-1.5 3,-0.1 -1,-0.1 0.879 47.7 148.8 61.3 43.2 18.1 73.1 13.1 14 16 A S H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.872 77.8 46.6 -70.4 -41.0 14.9 71.8 11.6 15 17 A N H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.897 110.2 53.7 -65.6 -39.1 15.7 68.3 12.9 16 18 A L H > S+ 0 0 0 67,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.896 107.6 52.9 -55.6 -40.7 16.6 69.8 16.3 17 19 A E H X S+ 0 0 69 -4,-1.5 4,-3.0 2,-0.2 5,-0.3 0.968 107.7 47.9 -65.1 -54.1 13.1 71.5 16.2 18 20 A A H X S+ 0 0 14 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.949 114.0 49.9 -46.2 -51.5 11.3 68.2 15.6 19 21 A L H X S+ 0 0 3 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.892 111.8 46.5 -58.4 -41.2 13.4 66.7 18.4 20 22 A A H < S+ 0 0 4 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.873 113.2 49.1 -71.4 -39.4 12.6 69.6 20.9 21 23 A K H >< S+ 0 0 128 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.942 110.7 51.6 -60.4 -49.6 8.8 69.5 20.0 22 24 A A H 3< S+ 0 0 40 -4,-2.7 3,-0.3 -5,-0.3 -2,-0.2 0.836 115.7 38.6 -57.5 -37.7 8.7 65.7 20.5 23 25 A F T 3< S+ 0 0 22 -4,-1.4 -1,-0.2 -5,-0.2 9,-0.2 0.092 91.4 84.2-111.8 23.9 10.3 65.7 24.0 24 26 A S < 0 0 70 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.1 -0.005 360.0 360.0-114.4 27.3 8.8 68.8 25.7 25 27 A T 0 0 119 -3,-0.3 3,-0.3 -4,-0.0 -2,-0.0 0.063 360.0 360.0 -93.9 360.0 5.6 67.2 27.0 26 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 27 29 A E 0 0 130 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 -12.8 4.9 63.1 29.8 28 30 A S - 0 0 36 -3,-0.3 -5,-0.1 1,-0.1 -6,-0.0 -0.612 360.0-162.7-105.1 148.2 8.4 62.7 28.3 29 31 A S S S+ 0 0 54 -2,-0.2 -26,-1.3 -28,-0.1 -27,-1.2 0.661 71.9 74.6 -92.4 -21.4 11.4 60.5 29.1 30 32 A V E -a 3 0A 6 -28,-0.2 2,-0.4 -29,-0.2 -26,-0.2 -0.740 54.9-168.0-108.5 143.5 14.0 62.5 27.3 31 33 A V E -a 4 0A 37 -28,-2.5 -26,-3.4 -2,-0.3 2,-0.9 -0.996 18.2-144.2-125.4 127.3 15.7 65.8 28.0 32 34 A I E -a 5 0A 19 -2,-0.4 -26,-0.2 -28,-0.2 3,-0.1 -0.833 22.2-177.6 -85.4 108.8 17.8 67.8 25.6 33 35 A S E - 0 0 6 -28,-2.1 2,-0.3 -2,-0.9 -27,-0.2 0.683 59.3 -2.9 -87.6 -23.2 20.4 69.1 28.0 34 36 A C E -a 6 0A 0 -29,-1.1 -27,-1.9 19,-0.1 2,-0.4 -0.968 51.6-145.7-160.3 160.3 22.4 71.2 25.5 35 37 A V E -ac 7 55A 0 19,-1.9 21,-1.6 -2,-0.3 2,-0.4 -0.995 20.6-164.4-125.2 132.1 22.7 72.2 21.9 36 38 A I E -ac 8 56A 1 -29,-2.5 -27,-3.2 -2,-0.4 2,-0.4 -0.974 4.6-171.9-124.4 136.1 26.2 72.9 20.4 37 39 A S E -ac 9 57A 0 19,-2.4 21,-2.8 -2,-0.4 -27,-0.2 -0.938 26.8-158.2-125.7 146.1 27.1 74.6 17.2 38 40 A N S S+ 0 0 4 -29,-1.1 2,-0.4 -2,-0.4 -28,-0.1 0.192 85.8 68.0 -98.4 14.3 30.3 75.1 15.2 39 41 A N > - 0 0 34 -30,-0.3 3,-1.7 20,-0.1 -1,-0.1 -0.973 65.0-157.1-140.5 116.9 28.7 78.2 13.5 40 42 A A T 3 S+ 0 0 81 -2,-0.4 -1,-0.1 1,-0.3 17,-0.0 0.567 98.4 55.3 -67.2 -13.4 27.8 81.4 15.3 41 43 A E T 3 S+ 0 0 179 -31,-0.1 2,-0.6 4,-0.0 -1,-0.3 0.195 74.8 133.2-101.5 8.7 25.3 82.2 12.6 42 44 A A X - 0 0 4 -3,-1.7 3,-1.6 1,-0.2 4,-0.4 -0.530 47.2-154.6 -71.1 114.6 23.4 78.8 13.0 43 45 A R T >> S+ 0 0 143 -2,-0.6 3,-1.6 1,-0.3 4,-1.0 0.789 88.3 73.8 -57.4 -29.3 19.6 79.6 13.2 44 46 A G H 3> S+ 0 0 0 -33,-2.7 4,-2.5 1,-0.3 -1,-0.3 0.795 82.7 69.6 -57.4 -28.1 19.1 76.4 15.2 45 47 A L H <> S+ 0 0 15 -3,-1.6 4,-1.7 -34,-0.3 -1,-0.3 0.867 97.9 49.8 -55.4 -38.0 20.6 78.2 18.1 46 48 A L H <> S+ 0 0 117 -3,-1.6 4,-1.7 -4,-0.4 -1,-0.2 0.841 108.4 51.9 -71.0 -37.8 17.5 80.4 18.3 47 49 A I H X S+ 0 0 32 -4,-1.0 4,-1.2 2,-0.2 3,-0.3 0.940 110.3 50.2 -58.3 -49.1 15.1 77.4 18.2 48 50 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-0.5 0.888 109.5 49.9 -59.4 -40.3 17.1 75.9 21.1 49 51 A Q H ><5S+ 0 0 104 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.812 103.7 58.8 -72.8 -30.1 16.8 79.1 23.1 50 52 A S H 3<5S+ 0 0 89 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.778 106.0 50.4 -70.5 -24.0 13.0 79.3 22.5 51 53 A Y T 3<5S- 0 0 86 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.342 119.7-111.2 -91.7 9.3 12.8 75.8 24.2 52 54 A G T < 5 + 0 0 68 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.629 68.7 147.7 71.5 16.4 14.9 77.0 27.2 53 55 A I < - 0 0 18 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.701 52.8-114.4 -91.0 126.3 17.8 74.7 26.2 54 56 A P - 0 0 60 0, 0.0 -19,-1.9 0, 0.0 2,-0.3 -0.307 34.8-154.8 -62.0 138.0 21.4 76.0 26.9 55 57 A T E -c 35 0A 36 -21,-0.2 2,-0.4 -19,-0.0 -19,-0.2 -0.864 12.2-170.5-117.9 152.1 23.4 76.8 23.8 56 58 A F E -c 36 0A 56 -21,-1.6 -19,-2.4 -2,-0.3 2,-0.5 -0.998 10.5-152.5-141.7 131.2 27.1 76.9 23.1 57 59 A V E -c 37 0A 71 -2,-0.4 2,-0.3 -21,-0.2 -19,-0.2 -0.918 17.9-169.2-105.6 130.4 29.1 78.1 20.1 58 60 A V - 0 0 6 -21,-2.8 -18,-0.1 -2,-0.5 7,-0.1 -0.862 30.8 -93.9-117.8 153.0 32.6 76.5 19.5 59 61 A K > - 0 0 144 -2,-0.3 5,-1.8 1,-0.1 -20,-0.1 -0.332 31.7-155.8 -63.8 147.2 35.4 77.4 17.1 60 62 A R B > 5 +H 63 0B 115 1,-0.3 3,-0.6 3,-0.2 -1,-0.1 0.775 65.5 65.9 -98.9 -35.6 35.3 75.6 13.7 61 63 A K T 3 5S+ 0 0 76 1,-0.6 -1,-0.3 2,-0.1 2,-0.1 -0.876 119.1 16.9-145.5 101.1 38.7 75.5 12.2 62 64 A P T 3 5S- 0 0 108 0, 0.0 -1,-0.6 0, 0.0 2,-0.1 0.532 110.4-123.2 -76.8 145.5 40.5 73.8 13.9 63 65 A L B < 5 -H 60 0B 38 -3,-0.6 2,-1.7 1,-0.1 -3,-0.2 -0.326 13.6-135.7 -60.7 126.9 37.5 72.3 15.6 64 66 A D >< + 0 0 66 -5,-1.8 4,-1.3 1,-0.2 3,-0.4 -0.606 37.6 164.2 -87.9 79.7 37.7 72.9 19.4 65 67 A I H > + 0 0 41 -2,-1.7 4,-2.6 1,-0.2 5,-0.2 0.746 66.1 64.9 -74.6 -24.2 36.7 69.4 20.4 66 68 A E H > S+ 0 0 158 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.843 103.8 49.4 -66.6 -33.8 37.9 69.7 24.0 67 69 A H H > S+ 0 0 69 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.910 109.3 51.5 -70.4 -40.7 35.2 72.4 24.5 68 70 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.959 112.9 44.4 -57.9 -52.6 32.6 70.1 22.9 69 71 A S H X S+ 0 0 35 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.897 111.6 55.3 -58.4 -40.5 33.5 67.2 25.3 70 72 A T H X S+ 0 0 45 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.912 110.5 44.0 -59.0 -45.8 33.6 69.7 28.2 71 73 A V H X S+ 0 0 1 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.907 114.2 49.6 -68.0 -42.8 30.1 70.9 27.5 72 74 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.2 3,-0.3 0.921 113.4 45.4 -62.9 -45.9 28.7 67.4 27.0 73 75 A R H ><5S+ 0 0 170 -4,-2.9 3,-2.0 1,-0.2 -2,-0.2 0.964 111.7 53.0 -61.0 -49.4 30.4 66.1 30.3 74 76 A E H 3<5S+ 0 0 123 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.688 111.4 46.4 -60.6 -22.7 29.2 69.1 32.2 75 77 A H T 3<5S- 0 0 49 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.228 110.6-121.1-104.8 15.5 25.5 68.5 31.0 76 78 A D T < 5 - 0 0 122 -3,-2.0 2,-0.2 1,-0.2 -72,-0.2 0.851 40.3-170.4 53.6 43.0 25.6 64.8 31.8 77 79 A V < + 0 0 12 -5,-2.2 -72,-0.2 1,-0.2 -1,-0.2 -0.464 20.9 179.9 -71.9 127.4 24.9 63.8 28.2 78 80 A D S S+ 0 0 67 -74,-2.7 2,-0.4 1,-0.3 -73,-0.2 0.711 73.0 28.4 -87.4 -31.5 24.1 60.1 27.6 79 81 A L E -b 5 0A 5 -75,-1.5 -73,-2.2 2,-0.0 2,-0.5 -0.985 66.7-149.8-144.5 125.7 23.6 60.3 23.9 80 82 A V E -bd 6 101A 0 20,-3.1 22,-2.5 -2,-0.4 2,-0.5 -0.829 12.7-162.9 -99.7 127.2 24.9 62.6 21.2 81 83 A C E -bd 7 102A 0 -75,-3.3 -73,-2.6 -2,-0.5 2,-0.5 -0.948 8.5-150.7-112.9 118.7 22.8 63.4 18.2 82 84 A L E +bd 8 103A 15 20,-2.8 22,-0.8 -2,-0.5 2,-0.2 -0.775 20.0 174.1 -81.3 128.2 24.3 64.9 15.0 83 85 A A S S- 0 0 6 -75,-2.3 -73,-0.4 -2,-0.5 -72,-0.3 -0.648 76.7 -31.0-139.3 76.6 21.6 67.0 13.3 84 86 A G S S+ 0 0 38 20,-0.3 2,-0.4 1,-0.2 -74,-0.3 0.689 86.3 162.8 80.6 22.6 23.2 68.8 10.4 85 87 A F - 0 0 17 -77,-0.4 2,-0.8 -76,-0.2 -1,-0.2 -0.628 25.7-154.2 -77.3 124.4 26.6 69.1 12.0 86 88 A M + 0 0 112 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 -0.816 51.7 83.7-109.7 91.2 29.2 69.8 9.3 87 89 A S S S- 0 0 45 -2,-0.8 2,-0.7 -24,-0.0 -2,-0.0 -0.922 76.1-109.7-170.5 159.9 32.7 68.6 10.3 88 90 A I - 0 0 162 -2,-0.3 -2,-0.1 52,-0.0 52,-0.0 -0.938 42.4-134.1 -98.8 115.4 34.7 65.4 10.2 89 91 A L - 0 0 27 -2,-0.7 2,-0.0 1,-0.1 -2,-0.0 -0.416 22.9-106.7 -69.3 145.5 34.9 64.4 13.8 90 92 A P > - 0 0 38 0, 0.0 4,-2.0 0, 0.0 5,-0.2 -0.312 25.2-111.5 -75.2 160.2 38.3 63.3 15.1 91 93 A E H > S+ 0 0 32 515,-0.2 4,-2.9 1,-0.2 516,-0.2 0.900 113.0 51.9 -55.2 -52.7 39.2 59.6 15.8 92 94 A K H > S+ 0 0 96 514,-2.1 4,-3.7 1,-0.2 -1,-0.2 0.904 109.9 50.4 -56.7 -43.2 39.5 59.9 19.6 93 95 A F H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.902 112.1 45.6 -64.7 -43.8 36.1 61.5 19.9 94 96 A V H < S+ 0 0 9 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.917 116.0 47.4 -62.6 -42.3 34.4 58.9 17.8 95 97 A T H >< S+ 0 0 35 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.968 111.9 51.3 -60.8 -54.8 36.2 56.2 19.8 96 98 A D H 3< S+ 0 0 89 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.809 115.0 40.0 -51.0 -42.6 35.2 57.9 23.1 97 99 A W T >< S+ 0 0 33 -4,-2.0 3,-2.9 -5,-0.2 4,-0.3 0.151 81.9 155.4 -98.2 19.0 31.5 58.1 22.3 98 100 A H T < S+ 0 0 28 -3,-1.7 39,-0.1 1,-0.3 -3,-0.1 -0.184 73.3 10.0 -49.9 131.1 31.2 54.7 20.7 99 101 A H T 3 S+ 0 0 59 37,-0.3 -1,-0.3 2,-0.2 38,-0.1 0.411 121.7 75.5 76.7 -1.4 27.6 53.4 20.9 100 102 A K S < S+ 0 0 100 -3,-2.9 -20,-3.1 36,-0.2 2,-0.4 0.276 77.1 74.7-127.8 11.6 26.5 56.8 22.1 101 103 A I E +d 80 0A 1 -4,-0.3 35,-2.4 35,-0.2 2,-0.3 -0.995 54.0 175.6-124.9 135.6 26.6 59.0 19.0 102 104 A I E -dE 81 135A 0 -22,-2.5 -20,-2.8 -2,-0.4 2,-0.3 -0.848 7.6-168.8-131.7 166.5 24.0 58.8 16.3 103 105 A N E -dE 82 134A 20 31,-1.8 31,-2.1 -2,-0.3 2,-0.4 -0.969 18.2-133.5-146.2 156.3 23.2 60.7 13.1 104 106 A I E - 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