==== 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 30-AUG-02 1ML4 . COMPND 2 MOLECULE: ASPARTATE TRANSCARBAMOYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR S.VAN BOXSTAEL,R.CUNIN,D.MAES . 307 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13938.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.3 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 . 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 . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 1 1 1 2 0 0 1 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 3 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 D 0 0 166 0, 0.0 4,-0.1 0, 0.0 301,-0.0 0.000 360.0 360.0 360.0 -42.2 -26.5 38.2 -18.2 2 3 A W > + 0 0 33 2,-0.1 3,-1.8 3,-0.0 2,-0.3 0.764 360.0 103.0 -75.4 -24.1 -23.4 37.3 -16.2 3 4 A K T 3 S+ 0 0 133 1,-0.3 301,-0.2 301,-0.1 300,-0.2 -0.426 91.8 9.0 -63.7 119.9 -22.4 40.9 -16.5 4 5 A G T 3 S+ 0 0 44 299,-2.4 -1,-0.3 1,-0.3 120,-0.2 0.288 92.4 141.0 93.9 -10.4 -23.0 42.8 -13.3 5 6 A R < - 0 0 59 -3,-1.8 -1,-0.3 297,-0.2 2,-0.2 -0.347 43.3-137.8 -67.5 146.5 -23.8 39.7 -11.3 6 7 A D - 0 0 57 117,-0.2 2,-0.3 -3,-0.1 119,-0.2 -0.541 1.8-144.3 -97.0 166.4 -22.6 39.5 -7.7 7 8 A V B +a 125 0A 0 117,-2.5 119,-3.0 -2,-0.2 129,-0.2 -0.706 49.5 131.3-133.6 80.1 -21.1 36.4 -6.1 8 9 A I + 0 0 5 1,-0.3 2,-0.4 -2,-0.3 121,-0.1 0.886 68.8 15.0 -97.5 -55.0 -22.3 36.5 -2.4 9 10 A S > - 0 0 10 125,-0.1 3,-2.3 -3,-0.1 -1,-0.3 -0.974 62.9-132.7-127.6 142.5 -23.7 33.1 -1.5 10 11 A I G > S+ 0 0 1 -2,-0.4 3,-1.3 1,-0.3 8,-0.1 0.680 106.3 72.8 -64.7 -15.2 -23.3 29.8 -3.3 11 12 A R G 3 S+ 0 0 177 1,-0.3 -1,-0.3 -3,-0.0 160,-0.0 0.580 83.9 66.9 -75.7 -8.8 -27.1 29.5 -2.9 12 13 A D G < S+ 0 0 68 -3,-2.3 2,-0.4 2,-0.1 -1,-0.3 0.371 91.9 79.4 -90.6 3.1 -27.5 32.2 -5.5 13 14 A F < - 0 0 6 -3,-1.3 2,-0.1 -4,-0.1 -6,-0.0 -0.901 66.1-149.9-116.8 143.2 -26.1 29.8 -8.2 14 15 A S > - 0 0 47 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.343 39.5 -97.2 -95.4-179.1 -27.8 27.0 -10.0 15 16 A K H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.854 126.6 54.7 -69.2 -31.2 -26.1 23.8 -11.3 16 17 A E H > S+ 0 0 147 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.910 106.5 50.1 -65.8 -45.0 -25.9 25.5 -14.7 17 18 A D H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.919 112.9 45.2 -59.6 -48.4 -24.1 28.5 -13.3 18 19 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.929 113.3 50.8 -61.6 -46.9 -21.5 26.4 -11.4 19 20 A E H X S+ 0 0 53 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.901 109.7 51.0 -58.0 -43.7 -21.0 24.2 -14.4 20 21 A T H X S+ 0 0 43 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.932 109.0 49.9 -60.6 -49.1 -20.5 27.3 -16.6 21 22 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.924 113.2 47.2 -56.7 -45.8 -17.9 28.8 -14.3 22 23 A L H X S+ 0 0 10 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.855 114.0 45.5 -65.9 -37.1 -16.0 25.5 -14.2 23 24 A A H X S+ 0 0 63 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.926 115.6 47.4 -71.1 -44.4 -16.1 25.0 -18.0 24 25 A T H X S+ 0 0 19 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.870 107.3 57.9 -63.1 -36.2 -15.1 28.6 -18.5 25 26 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.894 106.1 48.3 -61.1 -40.1 -12.3 28.2 -16.0 26 27 A E H X S+ 0 0 110 -4,-1.4 4,-2.4 2,-0.2 5,-0.3 0.889 108.9 56.1 -67.2 -37.8 -10.8 25.3 -18.0 27 28 A R H X S+ 0 0 92 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.974 110.4 41.1 -56.7 -60.5 -11.1 27.5 -21.1 28 29 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.825 110.7 60.7 -58.7 -33.5 -9.0 30.4 -19.7 29 30 A E H X S+ 0 0 41 -4,-1.8 4,-1.6 -5,-0.3 -1,-0.2 0.958 112.0 36.3 -58.9 -54.1 -6.6 27.9 -18.1 30 31 A R H X S+ 0 0 145 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.904 114.8 57.2 -66.2 -42.3 -5.7 26.5 -21.5 31 32 A E H X S+ 0 0 15 -4,-2.9 4,-2.5 -5,-0.3 5,-0.5 0.886 103.4 53.4 -56.5 -41.6 -5.9 29.9 -23.2 32 33 A L H X S+ 0 0 20 -4,-2.7 4,-3.9 1,-0.2 -1,-0.2 0.964 104.3 55.2 -57.5 -54.0 -3.3 31.2 -20.8 33 34 A K H < S+ 0 0 151 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 113.9 42.7 -45.7 -43.1 -0.9 28.5 -21.6 34 35 A E H < S+ 0 0 157 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.974 128.1 23.6 -70.8 -59.4 -1.1 29.4 -25.3 35 36 A K H < S- 0 0 126 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.740 83.2-149.5 -82.3 -26.9 -1.0 33.2 -25.2 36 37 A G S < S+ 0 0 46 -4,-3.9 2,-0.2 -5,-0.5 -4,-0.1 0.565 81.7 46.3 66.9 7.4 0.8 33.6 -21.9 37 38 A Q S S- 0 0 86 -6,-0.2 2,-0.2 -5,-0.2 31,-0.1 -0.619 72.1-161.7-178.9 112.8 -1.1 36.9 -21.5 38 39 A L - 0 0 3 29,-1.9 3,-0.1 -2,-0.2 -6,-0.0 -0.564 9.8-158.2-100.5 166.7 -4.8 37.5 -22.0 39 40 A E > + 0 0 94 -2,-0.2 3,-2.0 1,-0.1 30,-0.1 0.252 54.5 114.8-130.2 15.5 -6.7 40.9 -22.5 40 41 A Y T 3 S+ 0 0 54 1,-0.3 29,-0.2 3,-0.0 -1,-0.1 0.850 86.9 44.8 -54.7 -35.1 -10.3 40.3 -21.6 41 42 A A T > S+ 0 0 0 27,-2.6 3,-2.1 24,-0.1 -1,-0.3 0.175 77.0 143.9 -98.0 18.6 -9.9 42.7 -18.7 42 43 A K T < S+ 0 0 142 -3,-2.0 28,-0.2 26,-0.3 3,-0.1 -0.389 76.6 15.9 -60.0 126.2 -8.0 45.5 -20.5 43 44 A G T 3 S+ 0 0 68 26,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.561 104.1 114.4 87.2 9.3 -9.2 48.8 -19.1 44 45 A K < - 0 0 57 -3,-2.1 27,-2.4 25,-0.2 2,-0.4 -0.887 50.8-153.6-114.7 144.5 -10.8 47.2 -16.0 45 46 A I E -b 71 0A 50 -2,-0.4 56,-2.8 25,-0.2 57,-0.8 -0.963 1.2-154.5-121.8 134.7 -9.8 47.6 -12.4 46 47 A L E -bc 72 102A 0 25,-2.9 27,-2.4 -2,-0.4 2,-0.6 -0.905 7.3-155.0-105.6 131.1 -10.3 45.1 -9.6 47 48 A A E -bc 73 103A 0 55,-2.5 57,-2.4 -2,-0.5 2,-0.8 -0.928 4.5-160.6-107.9 114.6 -10.5 46.5 -6.1 48 49 A T E -bc 74 104A 1 25,-2.6 27,-1.7 -2,-0.6 2,-0.8 -0.861 8.2-174.0 -98.0 111.2 -9.5 44.0 -3.4 49 50 A L E +bc 75 105A 2 55,-3.0 57,-1.9 -2,-0.8 2,-0.6 -0.850 5.5 178.3-109.7 95.7 -10.8 45.1 -0.1 50 51 A F E + c 0 106A 2 25,-2.4 28,-0.2 -2,-0.8 57,-0.2 -0.880 17.1 173.5-106.0 114.5 -9.6 42.8 2.7 51 52 A F S S+ 0 0 32 55,-3.4 56,-0.2 -2,-0.6 -1,-0.1 0.321 75.7 34.7 -95.7 0.9 -10.6 43.6 6.3 52 53 A E S S- 0 0 20 54,-0.3 54,-0.1 55,-0.1 0, 0.0 -0.965 103.0 -68.9-147.2 162.1 -9.0 40.3 7.5 53 54 A P + 0 0 118 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.164 51.6 159.8 -60.4 146.9 -6.0 38.2 6.6 54 55 A S + 0 0 24 -4,-0.1 -4,-0.0 1,-0.1 52,-0.0 -0.957 21.5 169.2-162.5 143.6 -5.7 36.2 3.4 55 56 A T S > S+ 0 0 82 -2,-0.3 4,-1.5 3,-0.1 5,-0.2 0.620 86.6 32.6-118.9 -59.2 -2.9 34.7 1.3 56 57 A R H > S+ 0 0 64 3,-0.2 4,-3.0 2,-0.2 5,-0.4 0.975 119.5 45.1 -65.9 -61.2 -4.7 32.5 -1.3 57 58 A T H > S+ 0 0 4 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.874 120.1 39.2 -57.3 -43.2 -8.0 34.4 -1.9 58 59 A R H > S+ 0 0 62 2,-0.2 4,-2.6 1,-0.1 5,-0.3 0.986 121.0 43.0 -70.8 -56.0 -6.5 37.8 -2.2 59 60 A L H X S+ 0 0 83 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.796 113.9 49.7 -59.7 -35.2 -3.4 36.8 -4.2 60 61 A S H X S+ 0 0 13 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.847 113.0 48.2 -73.5 -34.1 -5.1 34.4 -6.5 61 62 A F H X S+ 0 0 0 -4,-1.1 4,-2.4 -5,-0.4 -2,-0.2 0.927 115.1 43.2 -70.5 -45.6 -7.7 37.0 -7.4 62 63 A E H X S+ 0 0 37 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.886 115.2 51.5 -65.7 -36.6 -5.1 39.7 -8.0 63 64 A S H X S+ 0 0 44 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.944 109.3 49.7 -63.0 -49.2 -3.1 37.1 -9.9 64 65 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.912 108.3 53.4 -57.1 -45.0 -6.2 36.2 -12.0 65 66 A M H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 4,-0.4 0.876 109.9 46.7 -60.6 -39.9 -6.9 39.9 -12.8 66 67 A H H ><5S+ 0 0 101 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.904 109.2 53.8 -70.1 -39.4 -3.3 40.5 -14.1 67 68 A R H 3<5S+ 0 0 116 -4,-2.3 -29,-1.9 1,-0.3 -1,-0.2 0.792 109.0 51.7 -63.5 -25.5 -3.5 37.3 -16.2 68 69 A L T 3<5S- 0 0 0 -4,-1.5 -27,-2.6 -5,-0.2 -26,-0.3 0.530 123.0-107.4 -86.4 -10.0 -6.7 38.7 -17.7 69 70 A G T < 5S+ 0 0 8 -3,-1.3 -26,-0.5 -4,-0.4 -3,-0.2 0.682 76.9 122.8 92.3 19.9 -5.0 42.0 -18.5 70 71 A G < - 0 0 14 -5,-2.9 2,-0.3 -28,-0.2 -1,-0.2 -0.363 56.4-111.6-103.7-175.5 -6.5 44.2 -15.9 71 72 A A E -b 45 0A 45 -27,-2.4 -25,-2.9 -30,-0.3 2,-0.4 -0.805 22.2-142.2-116.9 160.1 -5.3 46.4 -13.0 72 73 A V E +b 46 0A 36 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.980 21.5 163.6-132.5 133.4 -5.5 46.1 -9.3 73 74 A I E +b 47 0A 67 -27,-2.4 -25,-2.6 -2,-0.4 2,-0.3 -0.834 27.8 94.8-131.6 168.3 -6.1 48.5 -6.4 74 75 A G E -b 48 0A 49 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.890 57.6 -90.0 142.5-173.5 -7.1 47.9 -2.7 75 76 A F E -b 49 0A 33 -27,-1.7 -25,-2.4 -2,-0.3 3,-0.1 -0.990 7.3-161.9-140.3 147.6 -5.9 47.3 0.8 76 77 A A S S+ 0 0 53 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.609 87.7 48.1-100.0 -17.4 -4.9 44.2 2.8 77 78 A E > - 0 0 108 1,-0.1 3,-1.6 -26,-0.1 4,-0.3 -0.981 65.8-156.6-129.5 116.0 -5.2 45.9 6.2 78 79 A A G > S+ 0 0 15 -2,-0.4 3,-1.8 1,-0.3 5,-0.5 0.772 90.5 75.0 -60.7 -27.7 -8.3 48.1 7.0 79 80 A S G 3 S+ 0 0 51 1,-0.3 -1,-0.3 4,-0.1 5,-0.1 0.775 93.5 52.5 -56.1 -27.8 -6.1 49.9 9.6 80 81 A T G < S+ 0 0 106 -3,-1.6 -1,-0.3 3,-0.0 -2,-0.2 0.538 101.7 74.1 -87.0 -8.7 -4.4 51.7 6.6 81 82 A S S X S- 0 0 24 -3,-1.8 3,-1.3 -4,-0.3 4,-0.1 -0.344 102.4 -94.3 -95.1-178.4 -7.7 52.9 5.2 82 83 A S G > >S+ 0 0 50 1,-0.3 5,-1.7 2,-0.2 3,-0.9 0.368 110.6 87.0 -78.6 5.4 -10.0 55.6 6.4 83 84 A V G > 5S+ 0 0 40 -5,-0.5 3,-0.9 1,-0.2 -1,-0.3 0.737 81.5 69.0 -70.7 -17.8 -12.0 53.1 8.3 84 85 A K G < 5S+ 0 0 134 -3,-1.3 -1,-0.2 -6,-0.4 -2,-0.2 0.790 94.3 50.8 -65.5 -31.7 -9.3 54.0 10.7 85 86 A K G < 5S- 0 0 185 -3,-0.9 -1,-0.3 -4,-0.1 -2,-0.2 0.499 135.4 -90.4 -85.1 -6.0 -10.8 57.5 11.0 86 87 A G T < 5 + 0 0 61 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.443 69.5 160.9 112.0 3.5 -14.2 55.8 11.8 87 88 A E < - 0 0 73 -5,-1.7 -1,-0.2 1,-0.1 2,-0.0 -0.230 35.2-122.9 -59.4 144.3 -15.7 55.4 8.3 88 89 A S > - 0 0 50 1,-0.1 4,-1.4 4,-0.0 -1,-0.1 -0.219 18.9-110.6 -81.2 173.6 -18.5 52.8 7.9 89 90 A L H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.917 115.0 50.1 -73.2 -44.7 -18.6 49.9 5.5 90 91 A R H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.805 111.6 49.3 -65.3 -30.0 -21.3 51.2 3.2 91 92 A D H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 109.2 53.4 -73.9 -38.4 -19.5 54.5 2.9 92 93 A T H X S+ 0 0 5 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.893 113.8 42.0 -60.4 -44.9 -16.3 52.6 2.1 93 94 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.912 111.2 54.1 -71.2 -46.0 -18.0 50.7 -0.7 94 95 A K H < S+ 0 0 90 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.874 116.5 40.3 -58.2 -36.3 -19.9 53.6 -2.1 95 96 A T H >< S+ 0 0 46 -4,-2.0 3,-1.6 2,-0.1 4,-0.2 0.975 117.4 44.9 -76.9 -54.4 -16.6 55.5 -2.4 96 97 A V H >X S+ 0 0 18 -4,-2.8 3,-2.4 1,-0.3 4,-0.7 0.822 100.8 68.1 -59.1 -34.7 -14.4 52.7 -3.7 97 98 A E T 3< S+ 0 0 19 -4,-2.8 3,-0.3 1,-0.3 -1,-0.3 0.746 91.4 63.7 -58.5 -21.0 -17.0 51.4 -6.2 98 99 A Q T <4 S+ 0 0 143 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.575 102.9 50.0 -78.5 -10.2 -16.4 54.7 -8.1 99 100 A Y T <4 S+ 0 0 145 -3,-2.4 2,-0.2 -4,-0.2 -1,-0.2 0.586 111.6 38.2-103.3 -15.8 -12.8 53.6 -8.7 100 101 A C < - 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