==== 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 3NOL . COMPND 2 MOLECULE: GLUTAMINE CYCLOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZYMOMONAS MOBILIS; . AUTHOR C.PARTHIER,D.R.CARRILLO,M.T.STUBBS . 234 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 43.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.6 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 . 6 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 . 18 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 RESIDUES PER ALPHA HELIX . 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 3 2 7 0 2 0 1 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 . 0 1 3 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 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 25 A S 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.1 3.7 0.8 18.5 2 26 A I - 0 0 29 180,-0.1 180,-0.2 1,-0.1 179,-0.1 -0.629 360.0-126.2 -74.2 113.8 6.6 -0.4 16.4 3 27 A P - 0 0 32 0, 0.0 180,-2.2 0, 0.0 2,-0.4 -0.311 17.1-142.8 -63.4 144.4 6.6 1.9 13.3 4 28 A I E -a 183 0A 61 229,-0.3 229,-3.5 178,-0.2 2,-0.5 -0.875 11.0-150.0-106.5 139.1 6.6 0.1 9.9 5 29 A Y E -aB 184 232A 41 178,-3.1 180,-2.5 -2,-0.4 2,-0.3 -0.944 2.6-154.6-114.7 129.3 8.6 1.6 7.0 6 30 A D E - B 0 231A 51 225,-2.9 225,-2.3 -2,-0.5 2,-0.3 -0.663 20.0-126.9 -92.7 156.3 7.6 1.3 3.3 7 31 A Y E - B 0 230A 35 178,-0.5 2,-0.4 -2,-0.3 223,-0.2 -0.705 13.7-160.6-103.5 157.2 10.3 1.6 0.6 8 32 A Q E - B 0 229A 69 221,-1.8 221,-2.5 -2,-0.3 2,-0.5 -0.993 25.3-129.1-128.5 127.2 10.7 3.7 -2.6 9 33 A I E + B 0 228A 44 -2,-0.4 219,-0.2 219,-0.2 3,-0.1 -0.677 26.5 176.7 -76.5 121.4 13.1 2.4 -5.2 10 34 A V E S- 0 0 62 217,-3.4 2,-0.3 -2,-0.5 -1,-0.2 0.857 71.4 -10.6 -86.8 -47.4 15.6 5.1 -6.2 11 35 A H E - B 0 227A 90 216,-1.2 216,-2.8 2,-0.0 2,-0.4 -0.974 57.8-143.7-146.2 153.5 17.6 2.9 -8.6 12 36 A S E - B 0 226A 49 -2,-0.3 214,-0.2 214,-0.2 212,-0.0 -0.989 20.0-168.3-116.6 133.1 17.9 -0.8 -9.4 13 37 A Y E - B 0 225A 31 212,-3.0 212,-2.5 -2,-0.4 37,-0.1 -0.897 32.3 -91.9-118.2 149.1 21.4 -2.2 -10.2 14 38 A P E - B 0 224A 55 0, 0.0 2,-0.4 0, 0.0 210,-0.3 -0.325 40.5-169.0 -60.9 136.6 22.2 -5.6 -11.7 15 39 A H - 0 0 16 208,-2.1 2,-0.4 206,-0.1 37,-0.1 -0.969 33.0-100.2-124.1 147.3 22.9 -8.4 -9.2 16 40 A D > - 0 0 52 -2,-0.4 3,-1.6 35,-0.2 205,-0.3 -0.484 24.8-153.3 -66.7 118.5 24.4 -11.8 -10.1 17 41 A T T 3 S+ 0 0 52 -2,-0.4 -1,-0.2 1,-0.3 207,-0.0 0.527 95.9 53.6 -75.5 -3.5 21.4 -14.3 -10.2 18 42 A K T 3 S+ 0 0 149 204,-0.1 2,-0.8 182,-0.0 20,-0.4 0.382 85.8 106.1-102.1 1.1 23.8 -17.1 -9.3 19 43 A A < - 0 0 0 -3,-1.6 202,-2.8 203,-0.2 2,-1.5 -0.743 56.2-158.6 -93.9 108.7 25.1 -15.3 -6.2 20 44 A F E -H 36 0B 69 16,-2.5 16,-1.7 -2,-0.8 200,-0.2 -0.655 26.6-142.3 -78.8 85.9 23.8 -16.6 -2.8 21 45 A T E +H 35 0B 0 -2,-1.5 14,-0.2 198,-0.2 199,-0.2 -0.330 39.3 156.4 -59.5 122.4 24.5 -13.4 -0.9 22 46 A E E + 0 0 16 12,-3.2 2,-0.3 1,-0.4 13,-0.2 0.426 70.0 18.7-121.0 -8.9 25.8 -14.1 2.7 23 47 A G E +H 34 0B 0 11,-1.2 11,-2.3 44,-0.2 -1,-0.4 -0.944 66.1 173.2-163.1 141.2 27.6 -10.8 3.5 24 48 A F E +H 33 0B 0 44,-0.4 182,-0.4 -2,-0.3 2,-0.3 -0.917 6.3 152.0-161.2 123.2 27.3 -7.4 1.8 25 49 A F E -H 32 0B 2 7,-2.4 7,-3.1 -2,-0.3 2,-0.4 -0.979 34.7-122.2-149.3 166.4 28.6 -3.9 2.5 26 50 A Y E +H 31 0B 28 182,-0.4 2,-0.3 -2,-0.3 5,-0.2 -0.902 35.7 160.2-108.8 134.7 29.6 -0.7 0.8 27 51 A R E > -H 30 0B 64 3,-2.8 3,-2.4 -2,-0.4 -2,-0.1 -0.952 61.5 -5.8-155.3 139.0 33.1 0.7 1.0 28 52 A N T 3 S- 0 0 78 -2,-0.3 3,-0.1 1,-0.3 181,-0.0 0.822 128.4 -51.0 47.3 43.3 35.1 3.2 -1.0 29 53 A G T 3 S+ 0 0 31 1,-0.2 19,-0.4 18,-0.0 -1,-0.3 0.360 121.7 89.1 82.9 -3.0 32.5 3.5 -3.7 30 54 A Y E < S-H 27 0B 68 -3,-2.4 -3,-2.8 17,-0.1 2,-0.4 -0.787 73.5-115.4-122.4 161.9 32.1 -0.2 -4.2 31 55 A F E -HI 26 46B 3 15,-2.4 15,-3.0 -2,-0.3 2,-0.4 -0.771 20.9-158.0 -86.7 144.8 30.1 -3.2 -3.0 32 56 A Y E -HI 25 45B 5 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.4 -0.996 18.0-174.1-118.9 130.0 31.9 -6.0 -1.2 33 57 A E E -HI 24 44B 4 11,-2.6 11,-2.9 -2,-0.4 2,-0.6 -0.986 26.1-152.8-132.5 134.6 30.0 -9.3 -1.2 34 58 A S E -HI 23 43B 0 -11,-2.3 -12,-3.2 -2,-0.4 -11,-1.2 -0.951 35.3-178.5 -99.5 120.3 30.5 -12.7 0.4 35 59 A T E -HI 21 42B 0 7,-2.7 7,-2.8 -2,-0.6 2,-0.4 -0.954 33.3-139.9-128.9 140.0 28.7 -15.2 -2.0 36 60 A G E -HI 20 41B 1 -16,-1.7 -16,-2.5 -2,-0.4 2,-0.4 -0.779 27.2-172.1 -87.0 138.1 28.0 -18.9 -2.2 37 61 A L E > - I 0 40B 36 3,-3.1 3,-2.2 -2,-0.4 -18,-0.1 -0.914 61.3 -42.1-138.3 106.0 28.5 -19.8 -5.9 38 62 A N T 3 S- 0 0 162 -20,-0.4 3,-0.1 -2,-0.4 -19,-0.0 0.810 124.8 -33.2 38.9 56.0 27.5 -23.3 -6.9 39 63 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.228 126.5 77.9 95.0 -13.4 28.9 -25.2 -3.8 40 64 A R E < S-I 37 0B 88 -3,-2.2 -3,-3.1 24,-0.0 2,-0.4 -0.736 71.2-125.3-123.7 170.2 31.9 -23.0 -3.1 41 65 A S E +I 36 0B 0 18,-0.4 18,-2.7 22,-0.3 2,-0.3 -0.951 23.5 179.7-128.2 140.6 32.3 -19.5 -1.5 42 66 A S E -IJ 35 58B 3 -7,-2.8 -7,-2.7 -2,-0.4 2,-0.5 -0.945 23.5-142.3-135.3 156.1 33.9 -16.3 -2.6 43 67 A I E -IJ 34 57B 1 14,-2.2 14,-2.2 -2,-0.3 2,-0.4 -0.983 33.2-176.4-114.2 127.9 34.6 -12.7 -1.5 44 68 A R E -IJ 33 56B 19 -11,-2.9 -11,-2.6 -2,-0.5 2,-0.5 -0.971 30.4-140.4-130.5 145.9 34.2 -10.2 -4.3 45 69 A K E -IJ 32 55B 44 10,-2.4 9,-3.2 -2,-0.4 10,-1.0 -0.917 35.3-163.1 -95.8 126.9 34.6 -6.4 -5.0 46 70 A V E -IJ 31 53B 5 -15,-3.0 -15,-2.4 -2,-0.5 2,-0.3 -0.941 22.8-125.1-127.1 129.4 31.7 -5.4 -7.2 47 71 A D > - 0 0 42 5,-2.7 4,-2.1 -2,-0.4 5,-0.2 -0.569 24.0-144.3 -64.5 124.6 31.1 -2.3 -9.4 48 72 A I T 4 S+ 0 0 10 -19,-0.4 -1,-0.1 -2,-0.3 177,-0.1 0.939 92.1 47.1 -60.4 -52.4 27.7 -0.9 -8.3 49 73 A E T 4 S+ 0 0 149 1,-0.2 -1,-0.2 -36,-0.1 -37,-0.0 0.814 127.0 24.7 -63.5 -35.4 26.4 0.3 -11.7 50 74 A S T 4 S- 0 0 41 2,-0.1 -1,-0.2 -37,-0.1 -2,-0.2 0.611 91.2-133.5-105.6 -19.2 27.2 -2.9 -13.6 51 75 A G < + 0 0 18 -4,-2.1 2,-0.2 1,-0.2 -35,-0.2 0.588 57.8 143.4 69.5 11.9 27.2 -5.6 -10.9 52 76 A K - 0 0 146 -5,-0.2 -5,-2.7 1,-0.1 2,-0.3 -0.574 53.2-113.0 -87.3 150.7 30.5 -6.9 -12.3 53 77 A T E +J 46 0B 53 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.565 28.3 177.5 -83.1 136.7 33.4 -8.3 -10.2 54 78 A L E S+ 0 0 94 -9,-3.2 2,-0.3 1,-0.4 -8,-0.2 0.663 75.8 9.2-103.2 -27.2 36.7 -6.4 -10.2 55 79 A Q E +J 45 0B 40 -10,-1.0 -10,-2.4 2,-0.0 -1,-0.4 -0.985 69.0 176.1-156.6 137.7 38.5 -8.6 -7.7 56 80 A Q E -J 44 0B 79 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.985 14.7-164.7-152.4 142.3 37.6 -12.0 -6.2 57 81 A I E -J 43 0B 41 -14,-2.2 -14,-2.2 -2,-0.3 2,-0.5 -0.946 15.8-145.2-118.7 146.5 39.0 -14.7 -3.9 58 82 A E E -J 42 0B 110 -2,-0.3 -16,-0.3 -16,-0.2 3,-0.1 -0.962 21.4-129.7-109.8 124.0 37.6 -18.2 -3.6 59 83 A L - 0 0 12 -18,-2.7 -18,-0.4 -2,-0.5 6,-0.0 -0.338 36.3 -85.0 -69.9 151.7 37.8 -19.7 -0.1 60 84 A G > - 0 0 38 1,-0.1 3,-2.1 -20,-0.1 -1,-0.1 -0.157 41.0-109.3 -51.3 148.9 39.3 -23.2 0.4 61 85 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.732 117.1 63.7 -57.6 -21.8 36.9 -26.1 -0.1 62 86 A R T 3 S+ 0 0 186 20,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.685 100.8 61.2 -72.5 -20.2 36.9 -26.7 3.7 63 87 A Y < - 0 0 56 -3,-2.1 2,-0.4 -22,-0.1 -22,-0.3 -0.798 59.3-164.5-114.8 146.8 35.4 -23.3 4.4 64 88 A F - 0 0 46 -2,-0.3 16,-2.8 -24,-0.1 18,-0.3 -0.954 25.1-133.6-131.1 118.5 32.1 -21.7 3.5 65 89 A G E +K 79 0C 2 -2,-0.4 14,-0.3 14,-0.2 -23,-0.1 -0.321 28.5 166.9 -74.9 147.2 32.0 -17.9 4.0 66 90 A E E + 0 0 6 12,-2.4 -44,-0.2 1,-0.4 40,-0.1 -0.028 52.2 9.5-122.7-128.8 29.1 -16.0 5.7 67 91 A G E - 0 0 0 39,-2.6 11,-2.6 38,-0.1 -1,-0.4 -0.109 59.9-169.5 -57.5 147.2 29.0 -12.3 6.9 68 92 A I E +K 77 0C 2 40,-0.4 -44,-0.4 9,-0.2 40,-0.3 -0.983 7.9 174.0-133.2 153.2 31.8 -9.9 6.0 69 93 A S E -K 76 0C 2 7,-2.2 7,-3.3 -2,-0.3 2,-0.1 -0.984 30.2-115.2-151.5 145.9 32.5 -6.4 7.3 70 94 A D E -K 75 0C 26 -2,-0.3 2,-0.3 5,-0.2 5,-0.3 -0.424 25.3-175.0 -67.3 154.6 35.3 -3.8 6.8 71 95 A W E > -K 74 0C 29 3,-2.5 3,-2.6 1,-0.2 -2,-0.0 -0.812 62.1 -53.5-150.8 116.1 37.4 -2.9 9.8 72 96 A K T 3 S- 0 0 142 -2,-0.3 -1,-0.2 1,-0.3 0, 0.0 -0.316 124.1 -19.6 49.6-123.7 40.0 -0.1 9.2 73 97 A D T 3 S+ 0 0 94 -3,-0.1 17,-2.3 2,-0.0 18,-0.4 0.042 127.7 83.3-101.4 28.0 42.0 -1.3 6.1 74 98 A K E < -KL 71 89C 62 -3,-2.6 -3,-2.5 15,-0.2 2,-0.4 -0.803 66.5-139.9-120.6 162.6 40.9 -5.0 6.7 75 99 A I E -KL 70 88C 0 13,-2.8 13,-3.2 -2,-0.3 2,-0.4 -0.987 18.1-158.3-118.7 137.1 37.9 -7.2 5.8 76 100 A V E -KL 69 87C 5 -7,-3.3 -7,-2.2 -2,-0.4 2,-0.4 -0.932 11.7-168.5-114.7 138.2 36.7 -9.6 8.5 77 101 A G E -KL 68 86C 1 9,-2.6 9,-2.1 -2,-0.4 -9,-0.2 -0.973 12.0-149.6-132.9 145.0 34.7 -12.7 7.5 78 102 A L E - 0 0 2 -11,-2.6 -12,-2.4 -2,-0.4 2,-0.3 -0.519 17.6-133.6 -98.6 170.9 32.6 -15.4 9.3 79 103 A T E -K 65 0C 0 5,-0.4 26,-0.7 -14,-0.3 -14,-0.2 -0.884 13.4-123.2-128.1 164.3 32.1 -19.0 8.2 80 104 A W S S- 0 0 131 -16,-2.8 25,-0.4 -2,-0.3 -1,-0.1 0.972 97.9 -12.4 -70.6 -58.8 29.0 -21.3 7.9 81 105 A K S S+ 0 0 123 -17,-0.2 -1,-0.1 23,-0.1 22,-0.0 0.290 111.0 91.8-130.0 6.2 30.0 -24.3 10.1 82 106 A N S S- 0 0 54 -18,-0.3 3,-0.1 2,-0.2 -2,-0.1 0.644 79.0-136.0 -82.5 -18.5 33.7 -23.8 10.8 83 107 A G S S+ 0 0 20 1,-0.3 18,-2.0 -4,-0.2 2,-0.3 0.779 73.7 94.4 62.5 25.8 33.4 -21.8 14.1 84 108 A L E - M 0 100C 27 16,-0.2 -5,-0.4 21,-0.1 2,-0.3 -0.958 56.0-157.8-144.2 162.3 36.1 -19.6 12.7 85 109 A G E - M 0 99C 0 14,-2.9 14,-2.1 -2,-0.3 2,-0.3 -0.802 10.8-136.4-131.1 176.0 36.6 -16.4 10.9 86 110 A F E -LM 77 98C 8 -9,-2.1 -9,-2.6 -2,-0.3 2,-0.4 -0.887 1.8-146.8-132.8 158.5 39.3 -14.7 8.7 87 111 A V E -LM 76 97C 12 10,-2.2 9,-3.1 -2,-0.3 10,-1.4 -0.999 19.8-174.3-127.7 128.7 40.8 -11.3 8.3 88 112 A W E -LM 75 95C 6 -13,-3.2 -13,-2.8 -2,-0.4 2,-0.3 -0.926 31.1-112.5-118.1 145.9 42.0 -10.1 4.9 89 113 A N E > -L 74 0C 35 5,-2.5 4,-1.6 -2,-0.3 5,-0.4 -0.610 28.2-136.8 -66.9 134.2 43.9 -7.0 3.8 90 114 A I T 4 S+ 0 0 20 -17,-2.3 -1,-0.1 -2,-0.3 -16,-0.1 0.848 93.2 65.9 -66.7 -32.6 41.5 -5.0 1.8 91 115 A R T 4 S- 0 0 210 -18,-0.4 -1,-0.2 1,-0.2 -17,-0.1 0.923 128.7 -0.8 -56.8 -53.7 44.0 -4.1 -1.0 92 116 A N T 4 S- 0 0 107 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.238 94.3-115.6-123.1 10.4 44.6 -7.6 -2.4 93 117 A L < + 0 0 4 -4,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.792 54.6 167.8 56.3 30.7 42.3 -9.7 -0.1 94 118 A R - 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