==== 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 1WT1 . 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) . 13786.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 62.7 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 . 20 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.5 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 . 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 2 0 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 0 225 0, 0.0 49,-0.1 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 -79.8 19.1 44.0 10.0 2 64 A V - 0 0 93 47,-0.2 47,-0.1 1,-0.1 2,-0.1 -0.211 360.0 -95.0 -65.2 153.4 16.5 44.8 7.3 3 65 A S - 0 0 111 1,-0.1 -1,-0.1 46,-0.0 0, 0.0 -0.340 35.4-116.3 -69.3 145.8 16.6 47.9 5.2 4 66 A L - 0 0 65 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.419 33.7-115.0 -76.0 157.8 14.6 51.0 6.2 5 67 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.370 46.2 -69.8 -87.2 172.7 11.9 52.1 3.8 6 68 A R - 0 0 222 -2,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.412 60.9-174.5 -60.6 136.5 11.9 55.4 1.9 7 69 A M - 0 0 52 -3,-0.1 2,-0.6 -2,-0.1 -3,-0.0 -1.000 20.2-146.3-139.8 139.8 11.3 58.2 4.4 8 70 A V + 0 0 118 -2,-0.4 -2,-0.0 3,-0.0 3,-0.0 -0.926 40.6 130.4-109.9 119.2 10.8 61.9 3.9 9 71 A Y - 0 0 104 -2,-0.6 -2,-0.1 32,-0.0 30,-0.0 -0.977 62.0 -65.8-158.9 161.9 12.1 64.2 6.6 10 72 A P - 0 0 106 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.255 57.2-110.9 -54.7 134.2 14.3 67.4 7.0 11 73 A Q - 0 0 162 1,-0.1 2,-0.0 -3,-0.0 -3,-0.0 -0.452 34.7-107.5 -69.0 136.7 17.9 66.9 6.0 12 74 A P - 0 0 97 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.399 30.4-131.7 -63.2 141.4 20.4 66.9 8.8 13 75 A K > - 0 0 137 3,-0.3 3,-1.9 1,-0.2 5,-0.0 -0.841 16.2-166.9-103.2 103.8 22.4 70.1 8.8 14 76 A V T 3 S+ 0 0 144 -2,-0.8 -1,-0.2 1,-0.3 0, 0.0 0.841 90.6 44.2 -54.5 -38.3 26.2 69.4 9.2 15 77 A L T 3 S+ 0 0 161 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.140 103.2 75.1 -97.1 20.7 27.0 73.1 9.9 16 78 A T S < S- 0 0 81 -3,-1.9 -3,-0.3 2,-0.0 -1,-0.1 -0.935 78.5-134.4-134.2 109.6 24.1 73.6 12.3 17 79 A P - 0 0 100 0, 0.0 2,-1.3 0, 0.0 3,-0.2 -0.330 13.8-130.1 -62.7 142.8 24.3 72.2 15.8 18 80 A C S S- 0 0 79 1,-0.3 -2,-0.0 19,-0.1 2,-0.0 -0.679 92.3 -1.8 -95.4 77.0 21.3 70.4 17.1 19 81 A R - 0 0 17 -2,-1.3 -1,-0.3 2,-0.0 5,-0.1 0.450 59.3-168.8 105.1 117.6 21.2 72.3 20.4 20 82 A K S S+ 0 0 203 -3,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.252 81.9 65.4-114.4 9.3 23.9 74.9 21.3 21 83 A D S S+ 0 0 86 1,-0.1 2,-0.3 233,-0.1 -1,-0.1 0.499 104.5 36.0-107.6 -7.7 22.8 75.3 25.0 22 84 A V S S- 0 0 28 12,-0.0 2,-0.5 232,-0.0 -1,-0.1 -0.960 83.5-100.4-145.2 161.4 23.7 71.8 26.1 23 85 A L - 0 0 94 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.698 31.7-179.0 -80.9 125.7 26.2 68.9 25.6 24 86 A V + 0 0 49 -2,-0.5 8,-2.5 1,-0.2 2,-0.3 0.388 64.7 41.6-109.4 3.2 24.7 66.3 23.3 25 87 A V B S-A 31 0A 59 6,-0.3 -1,-0.2 8,-0.1 211,-0.0 -0.986 75.4-130.4-149.9 137.6 27.6 63.8 23.3 26 88 A T > - 0 0 3 4,-2.9 3,-2.0 -2,-0.3 6,-0.0 -0.340 35.5-100.5 -82.6 168.6 29.9 62.4 26.0 27 89 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.643 125.8 54.0 -62.9 -15.2 33.7 62.2 25.9 28 90 A W T 3 S- 0 0 65 2,-0.1 -2,-0.0 206,-0.1 205,-0.0 0.113 124.0-105.7-106.0 21.4 33.3 58.5 25.1 29 91 A L S < S+ 0 0 144 -3,-2.0 206,-0.0 1,-0.2 -4,-0.0 0.778 71.6 142.9 62.0 35.0 31.0 59.3 22.2 30 92 A A - 0 0 3 204,-0.1 -4,-2.9 206,-0.0 -1,-0.2 -0.868 53.4-115.8-100.0 133.0 27.7 58.3 23.8 31 93 A P B -A 25 0A 59 0, 0.0 206,-2.3 0, 0.0 2,-0.6 -0.383 15.1-141.0 -70.1 149.0 24.8 60.5 22.8 32 94 A I E -b 237 0B 4 -8,-2.5 2,-0.8 204,-0.2 206,-0.2 -0.961 26.2-128.5-107.9 115.4 23.1 62.5 25.6 33 95 A V E +b 238 0B 6 204,-2.4 206,-1.8 -2,-0.6 2,-0.3 -0.572 42.2 154.9 -77.3 106.7 19.4 62.4 24.8 34 96 A W > - 0 0 12 -2,-0.8 3,-2.0 204,-0.1 4,-0.4 -0.888 54.0 -87.2-123.4 154.6 17.7 65.9 24.7 35 97 A E T 3 S+ 0 0 52 -2,-0.3 221,-0.1 1,-0.3 222,-0.0 -0.425 116.8 32.1 -61.9 132.8 14.6 66.9 22.8 36 98 A G T 3 S+ 0 0 29 2,-0.3 -1,-0.3 -2,-0.1 -3,-0.0 0.239 96.3 88.2 103.0 -12.3 15.7 68.0 19.3 37 99 A T S < S+ 0 0 52 -3,-2.0 2,-0.3 1,-0.1 -2,-0.1 0.705 86.1 50.1 -90.0 -21.1 18.6 65.6 19.0 38 100 A F - 0 0 43 -4,-0.4 2,-0.8 4,-0.0 -2,-0.3 -0.887 65.3-140.9-125.4 151.7 16.6 62.7 17.6 39 101 A N > - 0 0 50 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.930 18.8-161.8-103.9 107.6 14.1 62.0 14.8 40 102 A I H > S+ 0 0 41 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.752 84.7 62.3 -64.8 -25.0 11.7 59.6 16.5 41 103 A D H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.929 106.2 44.5 -66.9 -44.1 10.2 58.4 13.1 42 104 A I H > S+ 0 0 37 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.943 116.6 46.1 -64.7 -47.4 13.6 57.0 12.0 43 105 A L H X S+ 0 0 29 -4,-1.8 4,-2.5 1,-0.2 5,-0.3 0.910 109.6 53.9 -62.7 -43.0 14.3 55.4 15.4 44 106 A N H X S+ 0 0 45 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.919 109.4 49.5 -57.7 -43.2 10.8 53.9 15.6 45 107 A E H X S+ 0 0 69 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.932 109.9 50.6 -60.2 -48.4 11.3 52.3 12.2 46 108 A Q H < S+ 0 0 83 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.925 116.5 39.7 -58.1 -46.5 14.7 50.9 13.3 47 109 A F H ><>S+ 0 0 17 -4,-2.5 5,-2.0 1,-0.2 3,-0.6 0.840 113.6 52.4 -75.7 -32.5 13.3 49.3 16.5 48 110 A R H ><5S+ 0 0 103 -4,-2.6 3,-2.0 -5,-0.3 -1,-0.2 0.877 103.1 59.3 -69.5 -35.8 10.0 48.1 15.1 49 111 A L T 3<5S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.3 -47,-0.2 0.700 107.4 47.9 -64.6 -17.1 11.9 46.3 12.2 50 112 A Q T < 5S- 0 0 103 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.354 110.6-126.5-101.6 2.7 13.6 44.4 15.0 51 113 A N T < 5 - 0 0 74 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.917 38.5-159.8 49.2 49.9 10.3 43.7 16.7 52 114 A T < - 0 0 3 -5,-2.0 32,-1.2 72,-0.1 2,-0.5 -0.338 12.6-159.3 -65.2 134.7 11.8 45.1 19.9 53 115 A T E -c 84 0B 8 -3,-0.1 71,-2.3 30,-0.1 72,-1.5 -0.968 5.4-158.5-117.1 128.6 10.2 44.3 23.3 54 116 A I E -cd 85 125B 0 30,-2.8 32,-2.6 -2,-0.5 2,-0.4 -0.930 3.1-153.0-112.8 128.1 10.8 46.5 26.3 55 117 A G E -cd 86 126B 0 70,-3.2 72,-2.4 -2,-0.5 2,-0.5 -0.826 6.6-163.0 -97.7 135.1 10.5 45.4 29.8 56 118 A L E -cd 87 127B 0 30,-2.4 32,-3.1 -2,-0.4 2,-0.4 -0.979 10.0-163.9-119.4 117.8 9.6 48.0 32.4 57 119 A T E +cd 88 128B 11 70,-2.8 72,-1.9 -2,-0.5 2,-0.3 -0.830 13.3 167.5-108.0 141.9 10.2 47.0 36.0 58 120 A V E -c 89 0B 1 30,-2.2 32,-2.8 -2,-0.4 2,-0.4 -0.994 24.8-141.8-149.4 145.1 8.9 48.6 39.2 59 121 A F E +c 90 0B 117 70,-0.4 72,-0.6 -2,-0.3 2,-0.3 -0.921 17.8 179.6-108.9 133.8 8.8 47.7 42.8 60 122 A A E +c 91 0B 0 30,-2.9 32,-0.7 -2,-0.4 33,-0.4 -0.811 10.4 168.6-138.1 94.4 5.7 48.6 44.8 61 123 A I > - 0 0 56 -2,-0.3 3,-2.1 30,-0.2 4,-0.1 -0.819 53.6 -27.2-110.1 148.0 5.7 47.6 48.5 62 124 A K G > S+ 0 0 123 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 -0.251 133.8 1.6 54.9-129.1 3.4 48.6 51.3 63 125 A K G > S+ 0 0 119 1,-0.3 3,-1.6 2,-0.1 -1,-0.3 0.646 118.1 80.0 -63.6 -16.7 1.8 52.0 50.7 64 126 A Y G X S+ 0 0 97 -3,-2.1 3,-1.7 1,-0.3 4,-0.3 0.654 71.9 78.3 -67.9 -14.3 3.6 52.4 47.3 65 127 A V G X S+ 0 0 19 -3,-1.5 3,-1.1 1,-0.3 4,-0.4 0.755 80.3 71.4 -65.1 -21.6 1.0 50.2 45.7 66 128 A A G < S+ 0 0 82 -3,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.674 92.1 56.6 -67.7 -17.2 -1.2 53.3 45.7 67 129 A F G <> S+ 0 0 63 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.562 83.1 86.8 -90.9 -10.2 0.9 54.8 43.0 68 130 A L H <> S+ 0 0 0 -3,-1.1 4,-3.0 -4,-0.3 5,-0.3 0.871 80.7 58.0 -58.2 -43.5 0.5 52.0 40.5 69 131 A K H > S+ 0 0 112 -4,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.955 112.9 37.3 -55.0 -56.1 -2.7 53.2 38.9 70 132 A L H > S+ 0 0 59 -4,-0.3 4,-2.3 2,-0.2 65,-0.3 0.894 116.2 55.0 -63.9 -40.6 -1.3 56.6 37.7 71 133 A F H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 64,-0.3 0.963 114.9 37.7 -56.8 -55.2 2.1 55.1 36.9 72 134 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.872 114.4 54.3 -67.4 -38.8 0.6 52.5 34.6 73 135 A E H X S+ 0 0 82 -4,-2.6 4,-0.7 -5,-0.3 -1,-0.2 0.904 113.5 41.8 -63.6 -41.5 -2.1 54.7 33.1 74 136 A T H X S+ 0 0 18 -4,-2.3 4,-2.1 -5,-0.2 3,-0.3 0.826 109.9 57.3 -75.5 -30.5 0.4 57.4 32.1 75 137 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.884 102.7 57.0 -65.0 -35.8 2.9 54.8 30.9 76 138 A E H < S+ 0 0 32 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.807 112.4 41.0 -63.9 -28.1 0.1 53.6 28.5 77 139 A K H < S+ 0 0 139 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.757 133.8 14.9 -91.9 -25.2 -0.1 57.0 27.1 78 140 A H H < S+ 0 0 38 -4,-2.1 61,-2.3 60,-0.1 2,-0.7 0.612 96.0 94.4-126.5 -15.8 3.6 57.9 26.9 79 141 A F B < S-i 139 0C 1 -4,-2.7 61,-0.2 -5,-0.3 3,-0.1 -0.757 108.0 -39.3 -94.9 114.0 5.9 54.8 27.3 80 142 A M S > S- 0 0 2 59,-2.6 3,-2.3 -2,-0.7 -1,-0.2 0.789 76.8-169.3 48.0 36.7 7.1 53.0 24.1 81 143 A V T 3 S+ 0 0 85 1,-0.3 -1,-0.2 58,-0.2 3,-0.1 -0.346 70.6 26.2 -59.5 128.5 3.8 53.5 22.4 82 144 A G T 3 S+ 0 0 59 1,-0.4 -1,-0.3 22,-0.2 2,-0.2 0.133 108.9 89.0 104.4 -18.5 3.7 51.4 19.3 83 145 A H S < S- 0 0 9 -3,-2.3 -1,-0.4 -4,-0.1 2,-0.4 -0.644 89.8 -88.3-108.6 166.2 6.2 48.9 20.6 84 146 A R E -c 53 0B 98 -32,-1.2 -30,-2.8 -2,-0.2 2,-0.4 -0.608 48.6-174.1 -74.9 128.0 5.9 45.6 22.6 85 147 A V E -ce 54 106B 3 20,-1.3 22,-2.3 -2,-0.4 2,-0.5 -0.984 16.1-169.3-128.8 137.1 6.0 46.4 26.3 86 148 A H E -ce 55 107B 7 -32,-2.6 -30,-2.4 -2,-0.4 2,-0.4 -0.975 13.1-154.5-126.1 114.1 6.0 44.0 29.2 87 149 A Y E -ce 56 108B 1 20,-3.2 22,-2.7 -2,-0.5 2,-0.6 -0.728 3.7-162.5 -88.4 137.5 5.5 45.5 32.7 88 150 A Y E -ce 57 109B 0 -32,-3.1 -30,-2.2 -2,-0.4 2,-0.7 -0.937 6.1-171.5-122.1 106.5 6.9 43.7 35.6 89 151 A V E -ce 58 110B 0 20,-2.7 22,-3.0 -2,-0.6 2,-0.7 -0.876 5.2-163.2-103.0 111.4 5.4 44.8 38.9 90 152 A F E +ce 59 111B 32 -32,-2.8 -30,-2.9 -2,-0.7 2,-0.3 -0.839 28.5 153.0 -93.4 117.5 7.1 43.4 42.0 91 153 A T E -ce 60 112B 0 20,-2.1 22,-1.7 -2,-0.7 -30,-0.2 -0.961 53.4-141.7-145.6 161.1 4.9 43.7 45.0 92 154 A D S S+ 0 0 61 -32,-0.7 -31,-0.1 -2,-0.3 20,-0.1 0.367 102.5 56.2-100.0 0.9 4.0 42.3 48.4 93 155 A Q > + 0 0 70 -33,-0.4 3,-1.5 1,-0.1 4,-0.3 -0.601 60.7 166.8-133.0 70.9 0.3 42.9 47.7 94 156 A P G > S+ 0 0 46 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.886 78.0 54.1 -52.1 -46.6 -0.6 41.1 44.4 95 157 A A G 3 S+ 0 0 109 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.653 101.4 62.7 -66.1 -13.9 -4.4 41.5 44.9 96 158 A A G < S+ 0 0 46 -3,-1.5 -1,-0.3 2,-0.1 -4,-0.0 0.470 72.5 115.6 -90.9 -3.0 -3.9 45.2 45.4 97 159 A V S < S- 0 0 26 -3,-1.7 -31,-0.1 -4,-0.3 -32,-0.0 -0.527 73.4-112.7 -70.2 128.9 -2.5 45.9 41.9 98 160 A P - 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