==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-NOV-04 1WT2 . COMPND 2 MOLECULE: HISTO-BLOOD GROUP ABO SYSTEM TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.J.LEE,C.H.BARRY,S.N.BORISOVA,N.O.L.SETO,R.B.ZHENG,A.BLANCH . 263 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 61.6 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 . 19 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 1 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 63 A M 0 0 215 0, 0.0 49,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 -2.9 19.0 43.7 9.8 2 64 A V - 0 0 90 47,-0.2 2,-0.1 1,-0.1 47,-0.1 -0.262 360.0-102.8 -65.2 150.4 16.4 44.6 7.2 3 65 A S - 0 0 106 1,-0.1 -1,-0.1 46,-0.0 0, 0.0 -0.430 34.3-109.5 -75.9 147.8 16.7 47.9 5.4 4 66 A L - 0 0 72 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.353 36.0-115.3 -70.6 154.8 14.6 51.0 6.3 5 67 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.307 47.2 -68.9 -84.3 175.1 11.9 52.0 3.9 6 68 A R - 0 0 221 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.431 61.4-177.3 -62.9 137.5 11.8 55.2 1.9 7 69 A M - 0 0 52 -2,-0.1 2,-0.5 -3,-0.1 -3,-0.0 -0.996 20.4-144.4-141.0 145.0 11.2 58.1 4.4 8 70 A V + 0 0 120 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.945 37.6 135.4-115.1 121.1 10.8 61.9 3.9 9 71 A Y - 0 0 120 -2,-0.5 -2,-0.1 30,-0.0 30,-0.0 -0.983 56.9 -78.5-158.0 154.7 12.2 64.3 6.5 10 72 A P - 0 0 116 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.199 51.7-108.2 -56.5 147.3 14.2 67.5 6.6 11 73 A Q - 0 0 176 1,-0.1 2,-0.5 0, 0.0 0, 0.0 -0.500 27.6-123.2 -77.4 146.0 17.9 67.3 6.0 12 74 A S - 0 0 104 -2,-0.2 2,-0.5 1,-0.0 -1,-0.1 -0.800 23.0-127.7 -92.2 128.0 20.2 67.9 9.0 13 75 A K > - 0 0 151 -2,-0.5 3,-1.5 1,-0.2 -1,-0.0 -0.639 9.1-155.4 -79.7 121.3 22.8 70.7 8.5 14 76 A V T 3 S+ 0 0 139 -2,-0.5 -1,-0.2 1,-0.3 -2,-0.0 0.815 96.0 51.6 -62.4 -31.7 26.3 69.6 9.2 15 77 A L T 3 S+ 0 0 166 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.047 100.4 74.8 -96.0 25.5 27.3 73.1 10.0 16 78 A T S < S- 0 0 81 -3,-1.5 -3,-0.1 3,-0.0 -1,-0.1 -0.956 75.8-137.8-139.1 115.9 24.5 73.7 12.5 17 79 A P - 0 0 98 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 -0.375 13.1-137.1 -67.2 153.4 24.5 72.1 16.0 18 80 A C S S+ 0 0 89 1,-0.3 2,-0.4 19,-0.0 19,-0.0 0.862 92.5 19.2 -81.3 -33.5 21.1 70.7 17.0 19 81 A R + 0 0 9 3,-0.1 -1,-0.3 1,-0.1 5,-0.1 -0.993 57.6 179.2-135.9 124.9 21.4 72.2 20.5 20 82 A K S S+ 0 0 188 -2,-0.4 -1,-0.1 -3,-0.2 3,-0.1 0.364 80.8 60.4-105.2 4.0 23.8 75.0 21.4 21 83 A D S S+ 0 0 59 1,-0.1 2,-0.3 233,-0.1 -1,-0.1 0.518 106.1 36.1-106.6 -7.9 22.7 75.2 25.0 22 84 A V S S- 0 0 27 -3,-0.0 2,-0.5 12,-0.0 -3,-0.1 -0.956 82.1-100.6-144.9 161.8 23.7 71.7 26.2 23 85 A L - 0 0 95 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.707 32.5-179.1 -81.3 124.6 26.2 68.9 25.8 24 86 A V + 0 0 51 -2,-0.5 8,-2.1 1,-0.2 2,-0.3 0.347 63.2 41.7-110.0 6.7 24.8 66.2 23.4 25 87 A V B S-A 31 0A 58 6,-0.3 -1,-0.2 8,-0.0 211,-0.0 -0.977 74.1-131.4-152.7 137.2 27.6 63.7 23.4 26 88 A T > - 0 0 4 4,-2.8 3,-1.9 -2,-0.3 6,-0.0 -0.327 35.8-100.2 -83.4 170.4 29.9 62.4 26.1 27 89 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.683 125.7 53.6 -63.4 -18.4 33.7 62.1 25.9 28 90 A W T 3 S- 0 0 66 2,-0.1 -2,-0.0 206,-0.1 205,-0.0 0.124 123.6-106.4-102.6 20.5 33.4 58.4 25.1 29 91 A L S < S+ 0 0 145 -3,-1.9 206,-0.0 1,-0.2 -4,-0.0 0.750 71.1 143.1 63.2 32.0 31.0 59.3 22.2 30 92 A A - 0 0 3 204,-0.1 -4,-2.8 206,-0.0 -1,-0.2 -0.832 53.8-115.0 -96.1 135.3 27.7 58.1 23.8 31 93 A P B -A 25 0A 59 0, 0.0 206,-2.6 0, 0.0 2,-0.6 -0.390 15.0-139.9 -71.3 151.6 24.9 60.4 22.9 32 94 A I E -b 237 0B 3 -8,-2.1 2,-0.7 204,-0.2 206,-0.2 -0.967 27.1-128.5-109.5 114.3 23.2 62.5 25.6 33 95 A V E +b 238 0B 5 204,-2.6 206,-1.9 -2,-0.6 2,-0.3 -0.566 42.9 153.4 -76.1 107.2 19.4 62.3 24.8 34 96 A W > - 0 0 13 -2,-0.7 3,-2.0 204,-0.1 4,-0.4 -0.892 55.3 -87.8-124.8 154.7 17.8 65.8 24.7 35 97 A E T 3 S+ 0 0 53 -2,-0.3 221,-0.1 1,-0.2 222,-0.0 -0.457 117.8 34.5 -63.0 134.6 14.7 66.8 22.8 36 98 A G T 3 S+ 0 0 25 2,-0.4 -1,-0.2 -2,-0.1 -3,-0.0 0.089 95.7 87.8 106.0 -20.7 15.9 67.9 19.3 37 99 A T S < S+ 0 0 55 -3,-2.0 2,-0.3 1,-0.0 -2,-0.1 0.709 87.4 48.2 -83.1 -20.5 18.7 65.4 19.1 38 100 A F - 0 0 44 -4,-0.4 2,-0.8 4,-0.0 -2,-0.4 -0.897 64.7-140.6-128.2 153.5 16.6 62.6 17.6 39 101 A N > - 0 0 52 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.934 20.0-161.7-104.4 106.8 14.1 61.9 14.8 40 102 A I H > S+ 0 0 40 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.754 85.2 61.9 -64.1 -24.8 11.7 59.6 16.5 41 103 A D H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 106.3 44.7 -68.1 -40.3 10.3 58.4 13.2 42 104 A I H > S+ 0 0 40 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.948 116.4 46.0 -67.9 -46.8 13.7 57.0 12.1 43 105 A L H X S+ 0 0 30 -4,-1.9 4,-2.5 1,-0.2 5,-0.3 0.887 109.9 53.8 -63.7 -41.0 14.3 55.4 15.5 44 106 A N H X S+ 0 0 42 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.920 109.1 49.8 -60.1 -42.8 10.8 53.9 15.7 45 107 A E H X S+ 0 0 66 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.950 110.2 50.0 -59.3 -51.5 11.4 52.3 12.3 46 108 A Q H < S+ 0 0 93 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.918 116.8 39.6 -55.2 -47.7 14.7 50.8 13.3 47 109 A F H <>S+ 0 0 28 -4,-2.5 5,-2.0 1,-0.2 3,-0.2 0.818 114.3 52.0 -75.5 -30.0 13.3 49.3 16.5 48 110 A R H ><5S+ 0 0 97 -4,-2.5 3,-1.8 -5,-0.3 -2,-0.2 0.890 104.4 56.7 -71.8 -38.5 10.0 48.1 15.1 49 111 A L T 3<5S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.3 -47,-0.2 0.710 107.7 51.0 -63.6 -18.3 11.8 46.3 12.2 50 112 A Q T 3 5S- 0 0 120 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.482 109.4-127.8 -95.2 -5.9 13.6 44.5 15.0 51 113 A N T < 5 - 0 0 101 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.932 38.7-161.4 56.9 46.5 10.3 43.6 16.8 52 114 A T < - 0 0 1 -5,-2.0 32,-1.2 72,-0.1 2,-0.5 -0.348 13.4-159.7 -66.1 135.3 11.8 45.1 20.0 53 115 A T E -c 84 0B 8 30,-0.1 71,-2.6 -3,-0.1 72,-1.6 -0.974 5.8-159.0-117.6 126.4 10.2 44.2 23.3 54 116 A I E -cd 85 125B 0 30,-2.8 32,-2.5 -2,-0.5 2,-0.4 -0.910 3.4-152.4-110.8 128.6 10.9 46.5 26.3 55 117 A G E -cd 86 126B 0 70,-3.5 72,-2.4 -2,-0.5 2,-0.5 -0.813 6.5-162.6 -97.4 136.4 10.5 45.4 29.9 56 118 A L E -cd 87 127B 0 30,-2.3 32,-2.9 -2,-0.4 2,-0.4 -0.976 9.7-163.9-120.6 116.7 9.6 48.0 32.5 57 119 A T E +cd 88 128B 10 70,-3.0 72,-2.0 -2,-0.5 2,-0.3 -0.827 13.4 167.4-107.4 140.1 10.3 47.0 36.1 58 120 A V E -c 89 0B 2 30,-2.3 32,-2.7 -2,-0.4 2,-0.5 -0.993 24.5-142.2-146.1 147.4 9.0 48.7 39.2 59 121 A F E +c 90 0B 118 70,-0.4 72,-0.5 -2,-0.3 2,-0.3 -0.938 17.2 179.5-111.6 132.7 8.9 47.7 42.9 60 122 A A E +c 91 0B 0 30,-3.1 32,-0.7 -2,-0.5 33,-0.4 -0.734 12.6 164.1-136.8 86.7 5.8 48.6 44.9 61 123 A I > - 0 0 53 -2,-0.3 3,-2.1 30,-0.2 4,-0.1 -0.747 55.3 -23.4-105.1 151.7 6.0 47.5 48.5 62 124 A K G > S- 0 0 130 -2,-0.3 3,-1.4 1,-0.3 4,-0.2 -0.234 134.5 -0.5 53.1-128.8 3.8 48.7 51.4 63 125 A K G > S+ 0 0 124 1,-0.3 3,-1.6 2,-0.1 -1,-0.3 0.681 118.3 80.0 -65.6 -18.5 2.3 52.1 50.8 64 126 A Y G X S+ 0 0 99 -3,-2.1 3,-1.6 1,-0.3 4,-0.3 0.606 71.3 79.7 -67.4 -9.6 3.9 52.4 47.4 65 127 A V G X S+ 0 0 17 -3,-1.4 3,-1.2 1,-0.3 4,-0.4 0.770 79.8 71.2 -67.4 -22.5 1.3 50.2 45.8 66 128 A A G < S+ 0 0 83 -3,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.630 91.5 58.0 -67.6 -13.6 -1.0 53.3 45.8 67 129 A F G <> S+ 0 0 66 -3,-1.6 4,-2.1 1,-0.1 -1,-0.2 0.598 82.7 86.2 -91.8 -12.6 1.2 54.8 43.0 68 130 A L H <> S+ 0 0 0 -3,-1.2 4,-2.9 -4,-0.3 5,-0.4 0.864 80.8 57.3 -56.9 -44.3 0.7 52.0 40.6 69 131 A K H > S+ 0 0 109 -4,-0.4 4,-2.8 1,-0.2 5,-0.2 0.965 113.4 37.6 -54.5 -58.2 -2.6 53.3 39.0 70 132 A L H > S+ 0 0 65 -4,-0.3 4,-2.5 2,-0.2 65,-0.3 0.885 116.8 53.8 -61.3 -41.1 -1.2 56.6 37.9 71 133 A F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 64,-0.3 0.963 115.2 37.6 -58.1 -56.4 2.2 55.1 36.9 72 134 A L H X S+ 0 0 1 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.894 115.5 53.5 -65.5 -41.3 0.8 52.4 34.7 73 135 A E H X S+ 0 0 76 -4,-2.8 4,-0.7 -5,-0.4 -1,-0.2 0.922 113.5 42.2 -61.0 -45.3 -2.0 54.7 33.2 74 136 A T H X S+ 0 0 18 -4,-2.5 4,-1.8 -5,-0.2 3,-0.4 0.835 109.9 57.9 -71.8 -30.2 0.5 57.4 32.2 75 137 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.3 -1,-0.2 0.888 101.4 57.0 -65.2 -36.4 3.0 54.7 30.9 76 138 A E H < S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.797 112.0 42.2 -63.9 -26.8 0.2 53.5 28.6 77 139 A K H < S+ 0 0 141 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.746 133.7 14.0 -91.8 -23.8 -0.0 57.0 27.1 78 140 A H H < S+ 0 0 37 -4,-1.8 61,-2.4 60,-0.1 2,-0.7 0.606 96.4 93.5-128.7 -15.9 3.7 57.8 26.9 79 141 A F B < S-i 139 0C 0 -4,-2.9 61,-0.2 -5,-0.3 3,-0.2 -0.765 109.0 -38.3 -95.6 112.9 6.0 54.8 27.3 80 142 A M S > S- 0 0 1 59,-2.7 3,-2.4 -2,-0.7 -1,-0.2 0.795 76.9-169.5 49.8 36.7 7.2 53.0 24.2 81 143 A V T 3 S+ 0 0 87 1,-0.3 -1,-0.2 58,-0.2 3,-0.1 -0.369 71.2 26.8 -60.5 124.0 3.8 53.5 22.5 82 144 A G T 3 S+ 0 0 59 1,-0.5 -1,-0.3 22,-0.2 2,-0.2 0.127 108.8 89.4 109.5 -17.8 3.7 51.4 19.4 83 145 A H S < S- 0 0 8 -3,-2.4 -1,-0.5 -4,-0.1 2,-0.4 -0.635 89.3 -89.2-108.5 166.4 6.2 48.8 20.6 84 146 A R E -c 53 0B 115 -32,-1.2 -30,-2.8 -2,-0.2 2,-0.4 -0.626 48.5-173.3 -76.5 127.6 5.8 45.6 22.6 85 147 A V E -ce 54 106B 1 20,-1.4 22,-2.5 -2,-0.4 2,-0.5 -0.976 16.7-169.1-127.8 138.9 5.9 46.3 26.3 86 148 A H E -ce 55 107B 3 -32,-2.5 -30,-2.3 -2,-0.4 2,-0.4 -0.967 13.1-155.1-128.1 112.3 6.0 44.0 29.3 87 149 A Y E -ce 56 108B 2 20,-3.1 22,-3.0 -2,-0.5 2,-0.5 -0.712 3.6-163.0 -87.7 137.1 5.5 45.5 32.7 88 150 A Y E -ce 57 109B 1 -32,-2.9 -30,-2.3 -2,-0.4 2,-0.7 -0.953 5.4-171.5-123.0 109.1 7.0 43.7 35.7 89 151 A V E -ce 58 110B 0 20,-2.7 22,-3.0 -2,-0.5 2,-0.6 -0.894 5.0-163.9-105.1 109.6 5.5 44.8 39.0 90 152 A F E +ce 59 111B 25 -32,-2.7 -30,-3.1 -2,-0.7 2,-0.3 -0.828 28.5 154.0 -92.0 118.9 7.3 43.4 42.1 91 153 A T E -ce 60 112B 0 20,-2.4 22,-1.8 -2,-0.6 -30,-0.2 -0.970 54.0-140.6-146.6 160.5 5.0 43.8 45.1 92 154 A D S S+ 0 0 58 -32,-0.7 -31,-0.1 -2,-0.3 20,-0.1 0.327 102.5 57.3 -98.4 3.7 4.2 42.4 48.5 93 155 A Q > + 0 0 67 -33,-0.4 3,-1.8 1,-0.1 4,-0.5 -0.568 58.0 167.1-135.7 70.5 0.5 43.0 47.8 94 156 A P G > S+ 0 0 47 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.875 81.0 52.9 -50.9 -44.2 -0.5 41.2 44.6 95 157 A A G 3 S+ 0 0 109 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.607 101.8 62.0 -70.6 -11.2 -4.2 41.7 45.3 96 158 A A G < S+ 0 0 42 -3,-1.8 -1,-0.2 2,-0.1 -4,-0.0 0.530 72.9 113.6 -92.5 -7.0 -3.7 45.4 45.6 97 159 A V S < S- 0 0 20 -3,-1.3 -31,-0.1 -4,-0.5 -32,-0.0 -0.517 71.7-120.8 -68.8 123.7 -2.4 45.9 42.1 98 160 A P - 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