==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUN-10 3NOK . COMPND 2 MOLECULE: GLUTAMINYL CYCLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYXOCOCCUS XANTHUS; . AUTHOR C.PARTHIER,D.R.CARRILLO,M.T.STUBBS . 466 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18942.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 312 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 192 41.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.6 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 . 44 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 . 0 2 5 13 6 4 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 6 0 0 0 2 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 23 A V 0 0 196 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.8 -15.2 36.0 15.3 2 24 A Q - 0 0 142 1,-0.0 140,-0.1 3,-0.0 3,-0.1 -0.825 360.0 -63.4-138.9 171.7 -15.1 35.1 19.0 3 25 A E - 0 0 106 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 -0.401 60.8-107.6 -52.6 129.1 -13.2 33.5 21.6 4 26 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 177,-0.3 -0.329 45.9 -98.2 -44.8 143.2 -12.8 29.8 20.8 5 27 A V E -a 181 0A 57 175,-2.7 177,-2.7 166,-0.1 2,-0.4 -0.615 36.9-140.1 -70.7 137.6 -15.0 27.9 23.3 6 28 A R E +a 182 0A 127 227,-0.4 227,-2.3 -2,-0.3 2,-0.3 -0.830 26.4 173.8-100.6 129.2 -13.0 26.6 26.3 7 29 A R E -aB 183 232A 59 175,-2.5 177,-2.8 -2,-0.4 2,-0.4 -0.900 23.3-143.7-131.5 163.5 -13.8 23.1 27.6 8 30 A V E -aB 184 231A 51 223,-2.1 223,-2.2 -2,-0.3 2,-0.5 -1.000 22.3-127.1-126.2 129.6 -12.3 20.8 30.2 9 31 A A E - B 0 230A 1 175,-2.4 2,-0.5 -2,-0.4 178,-0.3 -0.699 23.9-159.4 -76.6 120.5 -12.3 17.0 29.6 10 32 A H E - B 0 229A 82 219,-3.0 219,-2.5 -2,-0.5 2,-0.4 -0.912 20.5-121.9-101.2 125.3 -13.9 15.4 32.6 11 33 A I E + B 0 228A 48 -2,-0.5 217,-0.2 217,-0.2 3,-0.1 -0.543 33.7 173.8 -71.2 123.4 -13.0 11.7 33.0 12 34 A I E - 0 0 55 215,-3.3 2,-0.3 1,-0.4 216,-0.2 0.772 67.0 -11.0 -95.3 -37.4 -16.3 9.6 33.1 13 35 A R E - B 0 227A 121 214,-1.4 214,-3.1 2,-0.0 -1,-0.4 -0.974 60.5-137.3-166.3 147.8 -14.8 6.1 33.1 14 36 A E E - B 0 226A 105 -2,-0.3 212,-0.2 212,-0.2 210,-0.0 -0.863 16.2-172.8-117.9 147.4 -11.4 4.4 32.6 15 37 A Y E - B 0 225A 32 210,-2.3 210,-2.5 -2,-0.3 34,-0.1 -0.949 35.5 -91.5-134.7 151.8 -10.6 1.2 30.7 16 38 A P E - B 0 224A 55 0, 0.0 2,-0.3 0, 0.0 208,-0.3 -0.349 42.4-178.8 -64.9 142.1 -7.4 -0.8 30.4 17 39 A H - 0 0 8 206,-1.7 2,-0.3 204,-0.1 34,-0.2 -0.968 33.4 -97.5-134.1 160.3 -5.0 0.1 27.5 18 40 A A > - 0 0 12 33,-0.3 3,-1.5 -2,-0.3 203,-0.3 -0.572 17.0-147.6 -86.1 133.6 -1.7 -1.6 26.7 19 41 A T T 3 S+ 0 0 91 -2,-0.3 -1,-0.1 1,-0.3 205,-0.0 0.406 98.3 54.2 -76.2 1.9 1.5 -0.0 27.9 20 42 A N T 3 S+ 0 0 116 202,-0.1 2,-0.7 203,-0.0 -1,-0.3 0.153 83.3 102.3-117.0 18.3 3.4 -1.2 24.8 21 43 A A < - 0 0 0 -3,-1.5 200,-2.7 201,-0.2 2,-1.6 -0.882 58.4-156.9-105.6 106.5 1.0 0.3 22.2 22 44 A F - 0 0 29 -2,-0.7 16,-1.3 16,-0.5 2,-0.2 -0.676 24.7-144.4 -78.7 83.6 2.3 3.6 20.7 23 45 A T E +H 37 0B 0 -2,-1.6 14,-0.2 196,-0.2 197,-0.2 -0.362 40.5 153.2 -55.8 114.2 -1.1 4.9 19.7 24 46 A Q E + 0 0 2 12,-3.3 2,-0.3 1,-0.4 13,-0.2 0.450 68.8 23.6-117.3 -14.9 -0.9 6.9 16.4 25 47 A G E +H 36 0B 0 11,-1.5 11,-2.2 41,-0.3 -1,-0.4 -0.982 60.0 177.0-150.8 148.4 -4.5 6.4 15.2 26 48 A L E +H 35 0B 0 41,-0.5 180,-0.3 -2,-0.3 2,-0.3 -0.961 17.1 142.9-157.9 120.2 -7.8 5.6 17.0 27 49 A V E -H 34 0B 12 7,-2.5 7,-3.2 -2,-0.3 2,-0.3 -0.975 44.4-114.9-159.2 155.3 -11.2 5.3 15.5 28 50 A F E +H 33 0B 14 180,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.703 36.6 178.5 -91.9 147.3 -14.5 3.4 15.7 29 51 A H E > -H 32 0B 4 3,-3.3 3,-1.9 -2,-0.3 43,-0.1 -0.902 57.9 -20.7-159.5 122.5 -15.4 1.3 12.7 30 52 A Q T 3 S- 0 0 80 -2,-0.3 3,-0.1 1,-0.3 42,-0.0 0.806 128.3 -44.4 43.1 45.4 -18.3 -1.1 11.9 31 53 A G T 3 S+ 0 0 72 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.367 122.1 94.2 93.2 1.0 -19.2 -1.5 15.6 32 54 A H E < S-H 29 0B 63 -3,-1.9 -3,-3.3 15,-0.0 2,-0.5 -0.803 72.2-119.1-125.7 169.5 -15.6 -2.0 16.8 33 55 A F E -H 28 0B 9 13,-0.5 13,-3.3 -2,-0.3 2,-0.3 -0.913 32.2-167.3-115.1 118.6 -12.8 0.0 18.2 34 56 A F E -HI 27 45B 3 -7,-3.2 -7,-2.5 -2,-0.5 2,-0.4 -0.849 8.4-170.0-119.0 148.4 -9.5 0.2 16.2 35 57 A E E -HI 26 44B 0 9,-2.8 9,-3.0 -2,-0.3 2,-0.4 -0.992 9.3-153.8-135.0 135.3 -6.0 1.4 17.0 36 58 A S E -HI 25 43B 0 -11,-2.2 -12,-3.3 -2,-0.4 -11,-1.5 -0.927 19.4-175.2-104.7 136.2 -3.0 2.0 14.8 37 59 A T E > -HI 23 42B 3 5,-2.1 5,-1.7 -2,-0.4 27,-0.6 -0.914 14.4-156.7-127.0 153.0 0.4 1.8 16.3 38 60 A G T 5 + 0 0 0 -16,-1.3 -16,-0.5 -2,-0.3 25,-0.2 -0.827 66.7 61.7-114.6 169.9 4.0 2.4 15.2 39 61 A H T 5S+ 0 0 46 -2,-0.3 -1,-0.2 23,-0.2 2,-0.1 0.918 131.4 20.0 47.7 55.2 7.2 0.9 16.7 40 62 A Q T 5S- 0 0 83 20,-0.4 2,-0.3 22,-0.2 -18,-0.2 0.509 109.1-128.8-101.0 160.1 6.1 -1.8 16.0 41 63 A G T 5 + 0 0 0 19,-2.1 18,-3.3 21,-0.2 19,-0.4 -0.525 42.9 149.5 -67.3 134.4 3.5 -1.2 13.3 42 64 A T E < -IJ 37 58B 1 -5,-1.7 -5,-2.1 -2,-0.3 2,-0.4 -0.967 41.3-144.5-150.5 162.2 0.0 -2.7 13.9 43 65 A L E -IJ 36 57B 0 14,-2.0 14,-2.7 -2,-0.3 2,-0.4 -0.990 36.0-178.8-119.0 127.7 -3.7 -2.4 13.3 44 66 A R E -IJ 35 56B 15 -9,-3.0 -9,-2.8 -2,-0.4 2,-0.5 -0.974 30.8-140.6-130.7 148.7 -5.6 -3.6 16.3 45 67 A Q E -IJ 34 55B 34 10,-2.9 9,-1.5 -2,-0.4 10,-1.2 -0.930 34.2-142.8 -99.8 126.8 -9.2 -4.1 17.4 46 68 A L - 0 0 23 -13,-3.3 -13,-0.5 -2,-0.5 2,-0.4 -0.593 9.0-147.2 -93.7 150.0 -9.5 -3.1 21.1 47 69 A S - 0 0 23 3,-0.6 3,-0.3 -2,-0.2 -15,-0.0 -0.901 9.2-148.6 -99.5 144.6 -11.5 -4.6 23.9 48 70 A L S S+ 0 0 51 -2,-0.4 177,-0.1 1,-0.2 -1,-0.1 0.557 98.7 57.4 -86.7 -4.6 -12.8 -2.1 26.6 49 71 A E S S+ 0 0 180 1,-0.2 2,-0.3 -34,-0.1 -1,-0.2 0.586 114.6 22.3 -94.4 -7.0 -12.5 -5.0 29.1 50 72 A S - 0 0 50 -3,-0.3 -3,-0.6 -34,-0.2 -1,-0.2 -0.990 64.4-128.7-155.8 150.9 -8.8 -5.9 28.6 51 73 A A S S+ 0 0 37 -2,-0.3 -33,-0.3 -34,-0.2 -1,-0.1 0.713 88.1 94.2 -71.9 -21.3 -5.5 -4.3 27.4 52 74 A Q S S- 0 0 155 -35,-0.1 -5,-0.2 1,-0.1 -2,-0.1 -0.596 85.2-120.5 -72.3 119.8 -5.1 -7.4 25.1 53 75 A P - 0 0 27 0, 0.0 -7,-0.2 0, 0.0 3,-0.1 -0.339 5.1-137.8 -59.7 145.9 -6.5 -6.6 21.7 54 76 A V S S+ 0 0 88 -9,-1.5 2,-0.3 1,-0.2 -8,-0.2 0.749 90.6 7.4 -71.6 -22.9 -9.3 -8.8 20.5 55 77 A W E +J 45 0B 55 -10,-1.2 -10,-2.9 2,-0.0 2,-0.3 -0.975 69.7 179.9-155.2 142.3 -7.6 -8.9 17.0 56 78 A M E -J 44 0B 71 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -0.956 15.5-161.2-148.2 135.0 -4.3 -7.6 15.7 57 79 A E E -J 43 0B 59 -14,-2.7 -14,-2.0 -2,-0.3 2,-0.3 -0.979 22.6-141.2-108.8 126.3 -2.4 -7.5 12.4 58 80 A R E -J 42 0B 152 -2,-0.5 -16,-0.2 -16,-0.2 3,-0.1 -0.690 14.5-171.0 -83.7 137.6 1.3 -6.9 12.6 59 81 A L > - 0 0 12 -18,-3.3 3,-1.3 1,-0.4 -17,-0.2 0.144 30.9-139.4-113.5 14.0 2.9 -4.7 10.0 60 82 A G T 3 - 0 0 44 -19,-0.4 -19,-2.1 1,-0.2 -1,-0.4 -0.348 69.7 -11.0 62.9-136.2 6.5 -5.3 11.0 61 83 A N T 3 S+ 0 0 81 -21,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.420 98.6 120.7 -79.2 -1.4 8.8 -2.4 10.9 62 84 A I < - 0 0 43 -3,-1.3 2,-1.5 -21,-0.2 -22,-0.2 -0.517 64.8-134.5 -68.9 131.7 6.4 -0.1 9.1 63 85 A F - 0 0 31 -2,-0.2 16,-2.5 -25,-0.2 18,-0.2 -0.625 27.1-162.7 -91.1 82.1 5.7 3.0 11.3 64 86 A A E +K 78 0C 0 -2,-1.5 14,-0.3 -27,-0.6 -22,-0.1 -0.350 15.1 169.4 -71.1 152.1 1.9 3.2 11.0 65 87 A E E + 0 0 9 12,-2.6 -41,-0.3 1,-0.4 41,-0.1 0.058 39.4 18.8-136.6-131.5 0.2 6.4 12.0 66 88 A G E - 0 0 0 39,-2.0 11,-2.5 51,-0.2 2,-0.4 -0.007 56.5-156.5 -62.3 160.4 -3.2 8.0 11.7 67 89 A L E -K 76 0C 0 40,-0.4 -41,-0.5 9,-0.2 2,-0.3 -0.988 10.4-178.3-144.7 124.7 -6.4 5.9 11.0 68 90 A A E -K 75 0C 0 7,-2.5 7,-2.7 -2,-0.4 2,-0.4 -0.872 10.3-154.9-121.8 155.9 -9.7 7.0 9.5 69 91 A S E -K 74 0C 24 -2,-0.3 40,-0.3 5,-0.2 5,-0.2 -0.993 15.9-174.3-128.3 138.1 -13.0 5.3 8.8 70 92 A D - 0 0 48 3,-1.9 4,-0.1 -2,-0.4 -1,-0.1 0.175 65.3 -97.9-106.6 12.3 -15.6 6.2 6.2 71 93 A G S S+ 0 0 43 2,-0.4 -41,-0.2 -43,-0.2 3,-0.1 -0.107 119.3 47.7 100.0 -26.5 -17.9 3.4 7.6 72 94 A E S S+ 0 0 115 1,-0.3 17,-0.5 -43,-0.1 2,-0.3 0.718 114.8 26.8-109.6 -36.6 -16.9 0.9 5.0 73 95 A R - 0 0 68 15,-0.1 -3,-1.9 19,-0.0 -2,-0.4 -0.908 65.8-133.8-128.4 154.5 -13.1 1.0 4.8 74 96 A L E -KL 69 87C 0 13,-2.0 13,-2.7 -2,-0.3 2,-0.4 -0.871 17.7-157.1-100.9 143.0 -10.2 2.0 7.2 75 97 A Y E -KL 68 86C 10 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.5 -0.988 10.3-170.1-125.0 130.0 -7.5 4.2 5.9 76 98 A Q E -KL 67 85C 0 9,-2.3 9,-2.5 -2,-0.4 -9,-0.2 -0.974 5.7-154.9-133.3 121.4 -4.1 4.1 7.6 77 99 A L E - 0 0 0 -11,-2.5 -12,-2.6 -2,-0.5 2,-0.3 -0.324 7.8-141.2 -80.4 173.8 -1.1 6.4 7.2 78 100 A T E -K 64 0C 0 -14,-0.3 26,-0.6 1,-0.2 -14,-0.2 -0.916 18.2-121.8-130.9 160.6 2.6 5.8 7.8 79 101 A W S S- 0 0 42 -16,-2.5 25,-1.7 -2,-0.3 -1,-0.2 0.996 93.0 -16.2 -69.1 -71.9 5.1 8.2 9.2 80 102 A T S S+ 0 0 36 23,-0.2 22,-0.1 -17,-0.1 -1,-0.1 0.472 117.0 86.9-114.9 -3.7 7.9 8.6 6.6 81 103 A E S S- 0 0 51 -18,-0.2 3,-0.1 2,-0.1 19,-0.1 0.739 83.5-137.7 -68.2 -24.4 7.2 5.6 4.4 82 104 A G + 0 0 2 1,-0.3 18,-2.1 -4,-0.2 2,-0.5 0.816 57.5 136.1 67.6 24.6 4.6 7.5 2.2 83 105 A L E - 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