==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 07-AUG-12 4GH3 . COMPND 2 MOLECULE: QUEUINE TRNA-RIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS SUBSP. MOBILIS; . AUTHOR F.IMMEKUS,G.KLEBE . 356 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14091.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 4 1.1 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.1 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 1 2 4 1 1 0 1 2 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 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 0 PARALLEL BRIDGES PER LADDER . 3 1 0 0 1 0 1 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 . 1 2 0 0 0 0 0 1 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 11 A R 0 0 172 0, 0.0 22,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 153.3 8.4 -10.4 26.1 2 12 A P - 0 0 63 0, 0.0 3,-0.2 0, 0.0 170,-0.0 -0.344 360.0-110.7 -77.8 167.0 10.0 -8.3 28.8 3 13 A R S S- 0 0 77 1,-0.3 20,-0.4 19,-0.2 2,-0.3 0.873 100.1 -10.7 -56.2 -43.4 9.2 -4.6 29.5 4 14 A F + 0 0 29 18,-0.2 2,-0.4 19,-0.1 -1,-0.3 -0.803 66.3 165.1-164.9 121.4 12.7 -3.8 28.3 5 15 A S E -A 21 0A 50 16,-2.4 16,-2.5 -2,-0.3 2,-0.6 -0.912 12.6-166.2-142.0 121.9 15.8 -5.8 27.5 6 16 A F E +A 20 0A 31 -2,-0.4 2,-0.4 14,-0.2 14,-0.2 -0.881 12.5 176.9-104.2 123.8 19.0 -4.7 25.7 7 17 A S E -A 19 0A 56 12,-2.6 12,-2.3 -2,-0.6 2,-0.6 -0.987 20.9-145.1-126.9 131.9 21.4 -7.4 24.5 8 18 A I E +A 18 0A 51 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.844 17.1 177.4 -95.6 121.9 24.6 -6.9 22.5 9 19 A A E + 0 0 89 8,-2.1 2,-0.3 -2,-0.6 9,-0.2 0.667 65.1 7.9 -97.4 -23.6 25.2 -9.7 20.1 10 20 A A E -A 17 0A 23 7,-2.0 7,-2.5 2,-0.0 2,-0.3 -0.996 58.4-167.9-157.1 157.5 28.3 -8.3 18.4 11 21 A R E -A 16 0A 120 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.978 11.3-176.7-145.0 158.5 30.9 -5.6 18.5 12 22 A E E > S-A 15 0A 39 3,-1.8 3,-2.1 -2,-0.3 2,-0.1 -0.899 73.0 -42.0-151.4 117.4 33.7 -3.9 16.6 13 23 A G T 3 S- 0 0 75 -2,-0.3 238,-0.1 1,-0.3 237,-0.1 -0.444 126.0 -24.0 58.8-128.3 35.7 -1.1 18.2 14 24 A K T 3 S+ 0 0 87 236,-0.6 -1,-0.3 -2,-0.1 237,-0.1 0.574 118.1 105.9 -83.8 -14.7 33.1 1.1 19.9 15 25 A A E < -A 12 0A 1 -3,-2.1 -3,-1.8 235,-0.2 2,-0.3 -0.368 48.9-172.8 -75.9 144.2 30.4 -0.1 17.6 16 26 A R E -A 11 0A 3 237,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.962 11.9-164.8-134.0 153.6 27.7 -2.5 18.8 17 27 A T E +A 10 0A 8 -7,-2.5 -8,-2.1 -2,-0.3 -7,-2.0 -0.999 36.3 98.7-136.6 139.1 24.9 -4.5 17.2 18 28 A G E -AB 8 29A 8 11,-1.9 11,-2.7 -2,-0.4 2,-0.4 -0.848 54.7 -68.8-178.4-146.2 22.0 -6.2 19.0 19 29 A T E -AB 7 28A 53 -12,-2.3 -12,-2.6 -2,-0.2 2,-0.5 -0.996 11.6-151.6-146.2 144.9 18.4 -6.0 20.1 20 30 A I E -AB 6 27A 0 7,-2.8 7,-3.5 -2,-0.4 2,-0.5 -0.981 21.9-157.9-112.1 122.3 16.0 -4.3 22.4 21 31 A E E +AB 5 26A 16 -16,-2.5 -16,-2.4 -2,-0.5 2,-0.3 -0.881 20.2 162.7-101.6 133.0 13.1 -6.4 23.4 22 32 A M E > - B 0 25A 1 3,-1.4 3,-1.5 -2,-0.5 -19,-0.2 -0.871 53.2 -96.2-139.8 166.6 9.9 -4.7 24.6 23 33 A K T 3 S+ 0 0 51 -20,-0.4 -20,-0.1 149,-0.3 3,-0.1 0.884 122.7 47.1 -58.4 -36.3 6.3 -5.9 25.0 24 34 A R T 3 S- 0 0 102 1,-0.2 -1,-0.3 -21,-0.2 2,-0.3 0.509 125.3 -56.1 -89.0 2.7 5.4 -4.5 21.7 25 35 A G E < -B 22 0A 1 -3,-1.5 -3,-1.4 61,-0.2 2,-0.4 -0.826 58.0 -68.0 149.3 170.6 8.2 -5.8 19.7 26 36 A V E -B 21 0A 58 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.782 33.3-150.6-100.3 137.8 12.0 -6.2 19.1 27 37 A I E -B 20 0A 0 -7,-3.5 -7,-2.8 -2,-0.4 2,-0.5 -0.953 9.8-143.2-108.4 119.7 14.2 -3.3 18.0 28 38 A R E -B 19 0A 80 -2,-0.5 -9,-0.2 -9,-0.2 26,-0.1 -0.708 33.8-113.2 -79.9 124.9 17.3 -4.1 16.0 29 39 A T E S+B 18 0A 0 -11,-2.7 -11,-1.9 -2,-0.5 2,-0.2 -0.863 98.3 48.2-112.8 148.0 20.2 -1.9 16.9 30 40 A P S S- 0 0 0 0, 0.0 2,-0.4 0, 0.0 225,-0.2 0.501 93.3-176.0 -58.8 137.3 21.8 0.3 15.6 31 41 A A E -c 255 0B 4 223,-2.1 225,-1.5 -2,-0.2 2,-0.5 -0.902 28.4-150.4-117.7 142.3 18.3 1.6 14.8 32 42 A F E -c 256 0B 3 -2,-0.4 23,-0.3 223,-0.2 22,-0.3 -0.972 15.3-156.5-110.8 128.9 16.9 4.4 12.8 33 43 A M E -c 257 0B 0 223,-3.2 225,-0.7 -2,-0.5 23,-0.2 -0.919 12.0-136.9-106.6 112.9 13.6 5.8 14.1 34 44 A P E -c 258 0B 7 0, 0.0 23,-2.9 0, 0.0 2,-0.3 -0.428 22.8-122.7 -65.7 143.6 11.4 7.6 11.5 35 45 A V B d 57 0B 18 223,-0.5 6,-0.3 21,-0.2 23,-0.1 -0.701 360.0 360.0 -94.9 137.4 9.8 10.8 12.8 36 46 A G 0 0 28 21,-1.6 4,-0.3 -2,-0.3 -1,-0.0 -0.561 360.0 360.0 -98.9 360.0 6.0 11.3 12.7 37 ! 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 38 49 A A 0 0 68 0, 0.0 2,-0.3 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 38.0 -0.4 12.0 14.1 39 50 A T - 0 0 78 5,-0.0 2,-0.7 20,-0.0 20,-0.1 -0.944 360.0 -95.2-155.1 168.6 1.4 10.1 11.2 40 51 A V B > S-K 43 0C 10 3,-0.6 3,-2.1 -4,-0.3 -4,-0.2 -0.942 72.9 -94.8 -99.2 113.3 4.7 9.5 9.5 41 52 A K T 3 S- 0 0 56 -2,-0.7 3,-0.1 -6,-0.3 -6,-0.0 0.076 96.1 -7.9 -48.2 120.6 4.1 12.1 6.9 42 53 A A T 3 S+ 0 0 47 1,-0.2 2,-0.4 282,-0.0 -1,-0.3 0.564 114.0 99.8 77.9 12.4 2.7 10.8 3.6 43 54 A L B < -K 40 0C 18 -3,-2.1 -3,-0.6 281,-0.1 -1,-0.2 -0.995 66.3-132.5-134.6 139.6 3.0 7.2 4.7 44 55 A K >> - 0 0 134 -2,-0.4 4,-2.2 1,-0.1 3,-1.1 -0.581 34.6-114.3 -75.4 145.3 0.7 4.5 6.0 45 56 A P H 3> S+ 0 0 41 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.850 118.5 57.3 -50.0 -38.9 2.1 2.5 9.0 46 57 A E H 3> S+ 0 0 138 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.852 106.8 49.7 -62.0 -33.9 2.3 -0.6 6.9 47 58 A T H <> S+ 0 0 28 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.927 110.9 48.2 -68.8 -47.6 4.5 1.3 4.5 48 59 A V H <>S+ 0 0 4 -4,-2.2 5,-1.4 1,-0.2 4,-0.5 0.933 114.2 47.2 -55.1 -48.0 6.7 2.4 7.3 49 60 A R H ><5S+ 0 0 82 -4,-3.3 3,-2.0 1,-0.2 -2,-0.2 0.931 106.6 57.7 -61.5 -42.3 6.9 -1.1 8.5 50 61 A A H 3<5S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.796 98.5 60.6 -60.3 -28.0 7.6 -2.4 5.0 51 62 A T T 3<5S- 0 0 19 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.664 126.1-100.8 -74.2 -15.0 10.6 -0.2 4.9 52 63 A G T < 5 + 0 0 17 -3,-2.0 -3,-0.2 -4,-0.5 -2,-0.1 0.358 66.7 154.4 112.3 -3.0 12.0 -2.1 7.9 53 64 A A < - 0 0 0 -5,-1.4 -1,-0.3 1,-0.2 3,-0.1 -0.388 21.3-176.3 -59.7 133.2 11.3 0.3 10.7 54 65 A D S S+ 0 0 9 1,-0.3 2,-0.3 -22,-0.3 -1,-0.2 0.608 72.7 14.7 -96.5 -23.7 11.0 -1.5 14.1 55 66 A I - 0 0 1 -23,-0.3 -1,-0.3 31,-0.1 2,-0.3 -0.996 65.2-152.6-153.9 148.1 10.1 1.6 16.0 56 67 A I E - e 0 88B 21 31,-1.5 33,-2.1 -2,-0.3 2,-0.6 -0.848 22.2-117.1-123.1 161.6 8.9 5.1 15.3 57 68 A L E -de 35 89B 7 -23,-2.9 -21,-1.6 -2,-0.3 2,-0.6 -0.880 24.7-139.9-102.6 124.6 9.3 8.4 17.1 58 69 A G E - e 0 90B 6 31,-3.3 2,-1.7 -2,-0.6 33,-1.7 -0.740 11.6-133.7 -88.6 120.1 6.1 10.0 18.3 59 70 A N > + 0 0 56 -2,-0.6 4,-1.8 1,-0.2 3,-0.3 -0.484 27.7 178.5 -72.1 82.1 6.0 13.8 18.0 60 71 A T H > S+ 0 0 2 -2,-1.7 4,-3.0 1,-0.2 5,-0.3 0.888 71.5 60.2 -55.4 -43.1 4.6 14.8 21.4 61 72 A Y H > S+ 0 0 92 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.920 109.8 40.7 -61.9 -39.1 4.7 18.5 20.9 62 73 A H H > S+ 0 0 46 -3,-0.3 4,-1.9 2,-0.2 3,-0.4 0.959 118.4 46.2 -73.0 -42.0 2.3 18.5 17.9 63 74 A L H <>S+ 0 0 8 -4,-1.8 5,-2.5 1,-0.3 -2,-0.2 0.844 105.9 59.2 -66.3 -38.4 -0.0 15.9 19.4 64 75 A M H <5S+ 0 0 39 -4,-3.0 5,-0.4 -5,-0.2 -1,-0.3 0.823 109.5 46.9 -57.4 -34.0 -0.1 17.6 22.8 65 76 A L H <5S+ 0 0 77 -4,-0.9 -2,-0.2 -3,-0.4 -1,-0.1 0.995 117.6 33.9 -70.6 -68.9 -1.5 20.6 20.9 66 77 A R T <5S+ 0 0 71 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 -0.992 130.5 6.5-140.8 135.5 -4.1 18.8 18.8 67 78 A P T 5S- 0 0 40 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 -0.999 106.7-130.1 -81.4 0.4 -5.9 16.6 19.2 68 79 A G >< - 0 0 13 -5,-2.5 4,-1.8 -6,-0.1 -4,-0.2 0.048 17.1 -98.0 106.9 145.2 -4.5 16.8 22.7 69 80 A A H > S+ 0 0 2 -5,-0.4 4,-2.3 1,-0.2 5,-0.2 0.911 120.7 51.2 -65.3 -41.9 -3.0 14.0 25.0 70 81 A E H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 108.3 51.8 -63.8 -38.0 -6.2 13.5 26.9 71 82 A R H > S+ 0 0 158 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.955 109.6 48.8 -64.8 -45.5 -8.3 13.0 23.8 72 83 A I H <>S+ 0 0 0 -4,-1.8 5,-3.1 2,-0.2 4,-0.4 0.905 110.7 50.6 -59.4 -42.2 -5.9 10.4 22.3 73 84 A A H ><5S+ 0 0 35 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.949 108.9 52.4 -60.4 -43.2 -5.9 8.5 25.6 74 85 A K H 3<5S+ 0 0 84 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.912 108.0 52.7 -58.1 -38.2 -9.7 8.7 25.4 75 86 A L T 3<5S- 0 0 95 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.456 133.5 -86.8 -81.5 3.2 -9.5 7.3 21.9 76 87 A G T < 5S- 0 0 55 -3,-1.8 4,-0.4 -4,-0.4 -3,-0.2 0.502 73.7 -68.5 113.8 1.8 -7.3 4.3 23.0 77 88 A G >< - 0 0 11 -5,-3.1 4,-2.1 -6,-0.1 48,-0.2 -0.133 60.1 -72.6 96.5 160.6 -3.8 5.7 22.9 78 89 A L H > S+ 0 0 10 46,-2.3 4,-2.8 1,-0.2 5,-0.4 0.849 124.2 61.6 -62.4 -38.9 -1.5 6.7 20.0 79 90 A H H >>S+ 0 0 9 45,-0.5 4,-2.0 1,-0.2 5,-1.7 0.949 112.2 35.9 -55.1 -55.1 -0.9 3.1 18.8 80 91 A S H 45S+ 0 0 91 -4,-0.4 -1,-0.2 3,-0.2 -2,-0.2 0.894 115.7 56.5 -63.8 -43.0 -4.6 2.5 18.0 81 92 A F H <5S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.934 120.1 28.4 -53.8 -53.9 -5.2 6.0 16.8 82 93 A M H <5S- 0 0 36 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.706 108.1-118.0 -82.2 -25.5 -2.5 5.9 14.2 83 94 A G T <5 + 0 0 52 -4,-2.0 2,-0.5 -5,-0.4 -3,-0.2 0.776 69.4 130.7 84.3 32.6 -2.6 2.1 13.5 84 95 A W < + 0 0 11 -5,-1.7 -1,-0.3 -6,-0.3 -2,-0.2 -0.982 29.8 179.7-116.1 119.9 1.0 1.3 14.6 85 96 A D + 0 0 116 -2,-0.5 -1,-0.1 -3,-0.1 3,-0.1 0.419 55.1 85.5-102.7 2.8 1.2 -1.6 17.0 86 97 A R S S- 0 0 70 1,-0.2 -61,-0.2 -7,-0.1 -31,-0.1 -0.333 94.0 -54.2 -94.1 171.9 5.0 -1.7 17.4 87 98 A P - 0 0 0 0, 0.0 -31,-1.5 0, 0.0 2,-0.4 -0.153 49.2-162.1 -53.6 147.5 7.2 0.3 19.9 88 99 A I E -e 56 0B 3 -33,-0.2 39,-2.7 37,-0.2 40,-2.1 -0.996 6.8-156.6-132.4 123.3 6.9 4.1 19.9 89 100 A L E -ef 57 128B 0 -33,-2.1 -31,-3.3 -2,-0.4 2,-0.4 -0.921 15.4-157.5 -97.5 122.6 9.5 6.5 21.4 90 101 A T E -ef 58 129B 0 38,-2.3 40,-1.1 -2,-0.5 -31,-0.2 -0.867 9.6-135.8-103.8 132.3 8.0 9.8 22.4 91 102 A D - 0 0 24 -33,-1.7 -31,-0.1 -2,-0.4 41,-0.1 -0.404 26.2-114.0 -77.2 171.9 10.1 12.9 22.8 92 103 A S - 0 0 4 39,-0.3 -1,-0.1 -2,-0.1 28,-0.1 0.579 38.4-117.6 -86.8 -9.0 9.3 15.0 25.8 93 104 A G S > S+ 0 0 1 19,-0.0 4,-1.2 4,-0.0 5,-0.1 0.258 87.8 104.7 94.9 -14.5 8.0 18.1 23.9 94 105 A G H > + 0 0 9 2,-0.2 4,-2.5 1,-0.2 38,-0.1 0.873 68.5 56.8 -70.7 -42.4 10.8 20.4 25.2 95 106 A Y H 4 S+ 0 0 139 1,-0.2 -1,-0.2 2,-0.2 39,-0.0 0.952 114.3 38.5 -56.7 -53.4 13.0 20.7 22.2 96 107 A Q H >4 S+ 0 0 32 1,-0.2 3,-1.1 3,-0.2 -1,-0.2 0.774 112.6 57.9 -70.9 -29.3 10.3 22.0 19.9 97 108 A V H 3< S+ 0 0 21 -4,-1.2 2,-1.3 1,-0.3 -2,-0.2 0.989 110.4 42.2 -62.9 -54.5 8.7 24.1 22.6 98 109 A M T 3< 0 0 88 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.247 360.0 360.0 -86.8 50.0 11.9 26.0 23.2 99 110 A S < 0 0 111 -2,-1.3 -3,-0.2 -3,-1.1 -4,-0.1 -0.687 360.0 360.0-177.2 360.0 12.3 26.2 19.4 100 ! 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 0.0 101 116 A K 0 0 97 0, 0.0 7,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 108.9 9.4 31.6 29.8 102 117 A Q B +L 107 0D 93 5,-0.2 2,-0.3 3,-0.1 5,-0.2 -0.633 360.0 147.1 -84.0 132.8 12.0 29.3 31.4 103 118 A S - 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