==== 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 26-APR-05 1ZI1 . COMPND 2 MOLECULE: HISTO-BLOOD GROUP ABO SYSTEM TRANSFERASE (NAGAT) . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.LETTS,N.L.ROSE,Y.R.FANG,C.H.BARRY,S.N.BORISOVA,N.O.SETO, . 263 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.5 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 0.4 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 . 21 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 19.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 0 0 1 0 1 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 1 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 PARALLEL BRIDGES PER LADDER . 2 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 62 A F 0 0 230 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-156.7 20.5 40.5 10.7 2 63 A M - 0 0 96 3,-0.0 3,-0.1 49,-0.0 49,-0.1 -0.935 360.0-135.0-112.6 128.3 18.6 43.8 10.2 3 64 A V - 0 0 79 -2,-0.5 47,-0.1 47,-0.2 48,-0.0 -0.307 36.0 -82.6 -76.1 162.1 16.5 44.4 7.1 4 65 A S - 0 0 111 1,-0.1 -1,-0.1 -2,-0.0 0, 0.0 -0.267 42.0-115.5 -64.3 147.1 16.6 47.6 5.1 5 66 A L - 0 0 63 1,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.443 34.4-113.9 -77.0 157.4 14.6 50.7 6.1 6 67 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.397 46.6 -71.2 -86.8 171.1 11.9 51.8 3.8 7 68 A R - 0 0 220 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.403 61.0-175.5 -59.7 136.0 11.9 55.0 1.8 8 69 A M - 0 0 51 -3,-0.1 2,-0.6 2,-0.1 -3,-0.0 -0.997 20.8-146.1-139.4 142.6 11.3 57.9 4.3 9 70 A V + 0 0 117 -2,-0.3 -2,-0.0 3,-0.0 3,-0.0 -0.938 40.0 132.3-113.7 115.5 10.8 61.6 3.9 10 71 A Y - 0 0 106 -2,-0.6 -2,-0.1 32,-0.0 30,-0.0 -0.959 61.4 -66.8-152.8 164.4 12.2 63.8 6.6 11 72 A P - 0 0 111 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.288 56.3-110.8 -57.5 135.5 14.3 67.0 7.0 12 73 A Q - 0 0 157 1,-0.1 -3,-0.0 -3,-0.0 2,-0.0 -0.483 34.8-110.9 -69.2 132.4 17.9 66.5 5.9 13 74 A P - 0 0 99 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.392 28.9-130.0 -63.6 143.8 20.3 66.7 8.9 14 75 A K > - 0 0 132 3,-0.2 3,-1.8 1,-0.2 -2,-0.0 -0.841 16.0-165.9-102.6 105.0 22.5 69.8 8.8 15 76 A V T 3 S+ 0 0 143 -2,-0.8 -1,-0.2 1,-0.3 0, 0.0 0.816 89.8 45.1 -54.7 -36.8 26.2 69.0 9.2 16 77 A L T 3 S+ 0 0 167 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.176 99.3 79.1 -97.6 17.3 27.1 72.7 9.9 17 78 A T S < S- 0 0 76 -3,-1.8 -3,-0.2 3,-0.0 -1,-0.1 -0.954 81.3-127.6-126.6 111.6 24.3 73.4 12.3 18 79 A P - 0 0 69 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.245 12.5-132.1 -57.6 143.4 24.7 72.2 15.9 19 80 A C S S+ 0 0 63 1,-0.3 2,-0.4 2,-0.0 -5,-0.0 0.971 90.4 0.2 -58.5 -58.5 21.8 70.1 17.2 20 81 A R - 0 0 13 3,-0.2 -1,-0.3 1,-0.1 5,-0.2 -0.986 56.4-167.8-132.6 140.4 21.6 72.1 20.5 21 82 A K S S+ 0 0 182 -2,-0.4 -1,-0.1 -3,-0.2 3,-0.1 0.419 87.4 57.1-106.7 -1.7 23.8 75.0 21.4 22 83 A D S S+ 0 0 84 1,-0.1 2,-0.3 233,-0.1 -1,-0.1 0.589 107.9 35.4-104.1 -13.8 22.8 75.0 25.1 23 84 A V S S- 0 0 28 12,-0.0 2,-0.5 232,-0.0 -3,-0.2 -0.940 80.2-102.5-141.5 162.8 23.7 71.5 26.1 24 85 A L - 0 0 95 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.721 30.9-178.2 -82.5 123.8 26.2 68.6 25.6 25 86 A V + 0 0 44 -2,-0.5 8,-2.2 1,-0.2 2,-0.3 0.376 64.8 40.6-108.0 4.4 24.7 66.0 23.3 26 87 A V B S-A 32 0A 58 6,-0.3 -1,-0.2 8,-0.1 211,-0.0 -0.980 75.7-129.6-151.3 137.3 27.5 63.4 23.3 27 88 A T > - 0 0 3 4,-2.8 3,-1.9 -2,-0.3 6,-0.0 -0.315 35.7-100.7 -81.1 169.5 29.8 62.2 26.1 28 89 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.658 125.7 54.4 -64.7 -15.2 33.6 62.0 25.9 29 90 A W T 3 S- 0 0 67 2,-0.1 -2,-0.0 206,-0.1 205,-0.0 0.113 124.4-105.0-104.3 20.6 33.3 58.3 25.1 30 91 A L S < S+ 0 0 143 -3,-1.9 206,-0.0 1,-0.2 -4,-0.0 0.767 71.8 143.0 63.7 34.4 30.9 59.0 22.2 31 92 A A - 0 0 3 204,-0.1 -4,-2.8 206,-0.0 -1,-0.2 -0.860 53.4-115.9 -99.4 132.2 27.6 58.0 23.8 32 93 A P B -A 26 0A 59 0, 0.0 206,-2.3 0, 0.0 2,-0.6 -0.381 15.4-141.4 -68.9 149.8 24.7 60.2 22.9 33 94 A I E -b 238 0B 4 -8,-2.2 2,-0.7 204,-0.2 206,-0.2 -0.968 26.5-128.2-109.3 115.6 23.0 62.2 25.6 34 95 A V E +b 239 0B 5 204,-2.4 206,-1.8 -2,-0.6 2,-0.3 -0.579 43.0 153.3 -77.7 106.8 19.3 62.2 24.8 35 96 A W > - 0 0 12 -2,-0.7 3,-2.0 204,-0.1 4,-0.4 -0.889 54.9 -87.1-124.6 155.8 17.7 65.6 24.7 36 97 A E T 3 S+ 0 0 46 -2,-0.3 221,-0.1 1,-0.2 222,-0.0 -0.436 117.1 33.2 -62.7 135.6 14.6 66.7 22.7 37 98 A G T 3 S+ 0 0 42 2,-0.3 -1,-0.2 -2,-0.1 -3,-0.0 0.115 96.1 87.7 103.9 -19.7 15.7 67.7 19.3 38 99 A T S < S+ 0 0 53 -3,-2.0 2,-0.3 1,-0.1 -2,-0.1 0.736 86.5 50.1 -83.5 -22.5 18.6 65.3 19.0 39 100 A F - 0 0 42 -4,-0.4 2,-0.8 4,-0.0 -2,-0.3 -0.886 63.7-142.5-125.7 151.7 16.5 62.4 17.5 40 101 A N > - 0 0 50 -2,-0.3 4,-1.8 1,-0.1 3,-0.4 -0.929 19.5-162.0-103.5 106.6 14.0 61.7 14.8 41 102 A I H > S+ 0 0 41 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.764 84.5 62.4 -64.0 -26.1 11.6 59.3 16.4 42 103 A D H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 105.9 45.0 -66.4 -42.6 10.3 58.1 13.1 43 104 A I H > S+ 0 0 37 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.952 116.6 45.6 -64.6 -47.9 13.6 56.7 12.0 44 105 A L H X S+ 0 0 30 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.899 109.8 54.3 -62.7 -41.3 14.3 55.1 15.4 45 106 A N H X S+ 0 0 46 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.913 109.8 48.6 -58.2 -43.3 10.7 53.7 15.6 46 107 A E H X S+ 0 0 68 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.946 110.3 51.1 -60.5 -50.6 11.4 52.0 12.2 47 108 A Q H < S+ 0 0 73 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.905 116.2 39.1 -56.1 -46.6 14.7 50.6 13.3 48 109 A F H ><>S+ 0 0 26 -4,-2.5 5,-1.8 1,-0.2 3,-0.6 0.831 113.9 53.0 -77.2 -31.0 13.4 49.0 16.4 49 110 A R H ><5S+ 0 0 106 -4,-2.4 3,-2.2 -5,-0.3 -2,-0.2 0.889 101.7 60.0 -70.0 -37.1 10.1 47.8 15.0 50 111 A L T 3<5S+ 0 0 62 -4,-2.4 -47,-0.2 1,-0.3 -1,-0.2 0.698 107.5 47.7 -63.0 -16.3 11.9 46.0 12.2 51 112 A Q T < 5S- 0 0 74 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.368 110.5-125.6-103.2 3.0 13.6 44.1 14.9 52 113 A N T < 5 - 0 0 87 -3,-2.2 -3,-0.2 1,-0.2 2,-0.1 0.937 38.6-159.7 50.6 52.3 10.3 43.4 16.7 53 114 A T < - 0 0 5 -5,-1.8 32,-1.2 72,-0.1 2,-0.5 -0.378 12.1-159.6 -67.6 135.2 11.8 44.8 19.9 54 115 A T E -c 85 0B 12 30,-0.1 71,-2.4 -3,-0.1 72,-1.6 -0.974 5.5-158.8-117.7 127.9 10.2 43.9 23.2 55 116 A I E -cd 86 126B 0 30,-3.0 32,-2.6 -2,-0.5 2,-0.4 -0.923 3.2-153.2-112.1 128.9 10.8 46.2 26.2 56 117 A G E -cd 87 127B 0 70,-3.0 72,-2.5 -2,-0.5 2,-0.5 -0.824 6.6-161.9 -97.9 136.3 10.4 45.1 29.8 57 118 A L E -cd 88 128B 1 30,-2.4 32,-3.0 -2,-0.4 2,-0.4 -0.973 9.0-164.7-120.5 116.6 9.5 47.7 32.4 58 119 A T E +cd 89 129B 11 70,-2.8 72,-2.0 -2,-0.5 2,-0.3 -0.841 12.5 169.1-107.4 138.3 10.2 46.8 36.0 59 120 A V E -c 90 0B 2 30,-2.2 32,-2.7 -2,-0.4 2,-0.5 -0.993 24.5-142.0-143.2 145.7 8.9 48.5 39.1 60 121 A F E -c 91 0B 119 70,-0.5 2,-0.5 -2,-0.3 72,-0.5 -0.954 18.3-179.5-111.6 122.9 8.9 47.6 42.8 61 122 A A E +c 92 0B 0 30,-3.0 32,-0.6 -2,-0.5 33,-0.4 -0.869 10.6 169.1-126.0 97.1 5.7 48.5 44.7 62 123 A I > - 0 0 63 -2,-0.5 3,-2.2 30,-0.2 4,-0.1 -0.851 52.7 -32.0-112.2 146.0 5.9 47.6 48.4 63 124 A K G > S+ 0 0 118 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 -0.238 133.5 4.1 52.7-127.2 3.5 48.6 51.2 64 125 A K G > S+ 0 0 153 1,-0.3 3,-1.4 2,-0.1 -1,-0.3 0.647 119.3 77.3 -62.5 -16.5 2.1 52.1 50.7 65 126 A Y G X S+ 0 0 101 -3,-2.2 3,-1.8 1,-0.3 4,-0.3 0.641 72.3 79.3 -71.5 -12.4 3.8 52.4 47.3 66 127 A V G X S+ 0 0 19 -3,-1.7 3,-1.1 1,-0.3 4,-0.4 0.749 80.1 71.3 -65.7 -20.0 1.1 50.1 45.7 67 128 A A G < S+ 0 0 85 -3,-1.4 4,-0.3 1,-0.2 -1,-0.3 0.623 91.5 57.7 -70.6 -12.9 -1.1 53.2 45.7 68 129 A F G <> S+ 0 0 67 -3,-1.8 4,-2.1 1,-0.1 -1,-0.2 0.571 83.1 85.9 -92.8 -11.5 1.1 54.7 42.9 69 130 A L H <> S+ 0 0 0 -3,-1.1 4,-3.0 -4,-0.3 5,-0.3 0.883 81.2 56.8 -58.6 -45.0 0.6 51.8 40.5 70 131 A K H > S+ 0 0 112 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.952 113.5 37.6 -54.5 -56.4 -2.6 53.0 38.9 71 132 A L H > S+ 0 0 67 -4,-0.3 4,-2.4 2,-0.2 65,-0.3 0.903 116.6 54.2 -63.3 -41.6 -1.3 56.4 37.7 72 133 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 64,-0.3 0.959 114.9 38.2 -56.7 -54.3 2.1 54.9 36.8 73 134 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.895 114.6 53.5 -66.7 -41.7 0.6 52.2 34.6 74 135 A E H X S+ 0 0 83 -4,-2.7 4,-0.8 -5,-0.3 -1,-0.2 0.908 114.0 42.2 -61.1 -42.6 -2.1 54.4 33.1 75 136 A T H X S+ 0 0 20 -4,-2.4 4,-2.0 -5,-0.2 3,-0.3 0.832 109.2 57.9 -74.8 -30.5 0.4 57.1 32.0 76 137 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.897 102.1 57.1 -64.3 -36.4 2.9 54.5 30.8 77 138 A E H < S+ 0 0 33 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.827 111.8 41.8 -62.6 -29.8 0.1 53.3 28.5 78 139 A K H < S+ 0 0 155 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.792 133.4 14.5 -88.0 -27.9 -0.1 56.7 27.0 79 140 A H H < S+ 0 0 35 -4,-2.0 61,-2.3 60,-0.1 2,-0.7 0.613 96.3 93.7-124.4 -16.6 3.6 57.6 26.8 80 141 A F B < S-i 140 0C 0 -4,-2.7 61,-0.2 -5,-0.3 -1,-0.1 -0.755 108.1 -38.9 -95.1 111.9 5.9 54.6 27.2 81 142 A M S > S- 0 0 2 59,-2.6 3,-2.2 -2,-0.7 -1,-0.2 0.803 76.0-170.3 50.5 37.4 7.1 52.7 24.1 82 143 A V T 3 S+ 0 0 86 1,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.393 70.9 27.6 -61.6 128.3 3.7 53.1 22.3 83 144 A G T 3 S+ 0 0 59 1,-0.4 -1,-0.3 22,-0.2 2,-0.2 0.121 108.7 89.1 105.9 -17.9 3.7 51.0 19.2 84 145 A H S < S- 0 0 9 -3,-2.2 -1,-0.4 1,-0.0 2,-0.4 -0.660 89.2 -89.6-109.7 165.8 6.2 48.5 20.5 85 146 A R E -c 54 0B 89 -32,-1.2 -30,-3.0 -2,-0.2 2,-0.4 -0.609 48.3-174.0 -75.5 126.5 5.9 45.3 22.5 86 147 A V E -ce 55 107B 2 20,-1.6 22,-2.4 -2,-0.4 2,-0.5 -0.978 16.7-169.1-128.2 137.5 6.0 46.0 26.3 87 148 A H E -ce 56 108B 7 -32,-2.6 -30,-2.4 -2,-0.4 2,-0.3 -0.968 13.3-154.2-126.2 112.9 6.0 43.7 29.2 88 149 A Y E -ce 57 109B 2 20,-3.2 22,-2.6 -2,-0.5 2,-0.5 -0.698 4.3-163.5 -86.5 138.3 5.4 45.2 32.7 89 150 A Y E -ce 58 110B 1 -32,-3.0 -30,-2.2 -2,-0.3 2,-0.7 -0.949 5.5-170.6-124.6 106.9 6.9 43.5 35.7 90 151 A V E -ce 59 111B 0 20,-2.6 22,-2.8 -2,-0.5 2,-0.6 -0.887 4.6-162.8-103.7 112.4 5.4 44.6 38.9 91 152 A F E +ce 60 112B 38 -32,-2.7 -30,-3.0 -2,-0.7 2,-0.3 -0.845 28.4 151.2 -95.0 118.6 7.2 43.3 42.0 92 153 A T E -ce 61 113B 0 20,-2.1 22,-1.8 -2,-0.6 -30,-0.2 -0.974 54.6-141.1-148.4 160.1 5.0 43.7 45.1 93 154 A D S S+ 0 0 60 -32,-0.6 -31,-0.1 -2,-0.3 3,-0.1 0.365 104.0 55.5 -97.7 1.1 4.1 42.2 48.5 94 155 A Q > + 0 0 52 -33,-0.4 3,-2.0 1,-0.1 4,-0.4 -0.524 59.8 164.7-133.2 65.7 0.5 42.9 47.8 95 156 A P G > S+ 0 0 46 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.822 78.2 55.5 -52.3 -36.0 -0.4 41.2 44.5 96 157 A A G 3 S+ 0 0 105 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.652 100.9 60.9 -73.6 -13.9 -4.2 41.5 45.1 97 158 A A G < S+ 0 0 46 -3,-2.0 -1,-0.2 2,-0.1 -4,-0.0 0.522 74.2 113.9 -90.1 -7.1 -3.8 45.3 45.5 98 159 A V S < S- 0 0 26 -3,-1.1 -31,-0.1 -4,-0.4 2,-0.1 -0.486 72.2-119.8 -66.6 127.4 -2.4 45.7 42.0 99 160 A P - 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