==== 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 1WT3 . 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) . 13689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 63.9 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 . 22 8.4 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 . 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 0 216 0, 0.0 49,-0.1 0, 0.0 48,-0.0 0.000 360.0 360.0 360.0 -75.2 19.4 43.4 9.4 2 64 A V - 0 0 84 47,-0.2 2,-0.1 1,-0.1 47,-0.1 -0.192 360.0-102.7 -60.6 145.4 16.5 44.3 7.1 3 65 A S - 0 0 110 1,-0.1 -1,-0.1 46,-0.0 0, 0.0 -0.355 31.9-116.2 -69.2 143.2 16.6 47.4 5.0 4 66 A L - 0 0 67 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.443 33.2-116.0 -75.0 152.6 14.7 50.6 6.0 5 67 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.349 45.9 -71.3 -83.6 171.0 11.9 51.6 3.6 6 68 A R - 0 0 219 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.414 61.1-176.8 -60.8 135.5 11.9 54.9 1.7 7 69 A M - 0 0 52 -3,-0.1 2,-0.5 -2,-0.1 -3,-0.0 -0.988 20.5-144.4-138.0 146.5 11.3 57.7 4.2 8 70 A V + 0 0 116 -2,-0.3 -2,-0.0 2,-0.0 3,-0.0 -0.957 40.6 128.0-116.8 120.3 10.8 61.5 3.7 9 71 A Y - 0 0 108 -2,-0.5 -2,-0.1 32,-0.0 30,-0.0 -0.975 63.8 -60.9-160.6 164.6 12.2 63.8 6.4 10 72 A P - 0 0 116 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 -0.274 51.4-124.3 -54.2 134.4 14.5 66.9 6.9 11 73 A Q - 0 0 170 1,-0.1 2,-0.1 -3,-0.0 -2,-0.0 0.899 38.6-114.2 -44.6 -65.2 18.0 66.2 5.6 12 74 A S - 0 0 87 6,-0.0 2,-0.8 3,-0.0 3,-0.1 0.073 22.9-114.2 121.3 127.0 20.1 67.0 8.7 13 75 A K > - 0 0 156 3,-0.3 3,-2.3 1,-0.2 5,-0.0 -0.792 18.2-167.0-100.0 105.3 22.6 69.9 8.8 14 76 A V T 3 S+ 0 0 138 -2,-0.8 -1,-0.2 1,-0.3 0, 0.0 0.816 95.2 44.4 -52.3 -35.3 26.2 69.0 9.1 15 77 A L T 3 S+ 0 0 164 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.184 103.4 73.9 -99.5 17.1 27.0 72.6 9.8 16 78 A T S < S- 0 0 79 -3,-2.3 -3,-0.3 3,-0.0 -1,-0.1 -0.950 75.9-137.7-132.5 112.3 24.1 73.2 12.2 17 79 A P - 0 0 85 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.417 12.8-136.3 -64.9 141.9 24.3 71.8 15.8 18 80 A C S S+ 0 0 87 1,-0.2 2,-0.3 -2,-0.1 19,-0.0 0.808 92.2 20.0 -70.6 -25.1 21.0 70.3 16.9 19 81 A R - 0 0 14 3,-0.1 -1,-0.2 1,-0.1 5,-0.1 -0.998 52.3-179.7-144.8 137.6 21.5 72.0 20.3 20 82 A K S S+ 0 0 192 -2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.371 84.1 57.8-114.0 -0.3 23.7 74.9 21.3 21 83 A D S S+ 0 0 87 1,-0.1 2,-0.3 233,-0.1 233,-0.1 0.592 106.1 37.5-105.8 -13.8 22.7 74.9 25.0 22 84 A V S S- 0 0 27 12,-0.0 2,-0.5 232,-0.0 -3,-0.1 -0.915 80.8-102.1-139.0 164.1 23.6 71.3 26.0 23 85 A L - 0 0 92 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.740 31.4-177.6 -83.2 124.0 26.1 68.5 25.6 24 86 A V + 0 0 54 -2,-0.5 8,-2.1 1,-0.2 2,-0.3 0.349 64.8 39.3-107.1 5.1 24.7 65.9 23.2 25 87 A V B S-A 31 0A 59 6,-0.3 -1,-0.2 8,-0.1 211,-0.0 -0.973 75.7-128.6-153.8 138.3 27.5 63.4 23.2 26 88 A T > - 0 0 4 4,-2.9 3,-2.2 -2,-0.3 6,-0.0 -0.366 35.8-100.0 -83.7 165.9 29.8 62.0 26.0 27 89 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.676 125.8 54.1 -58.8 -18.5 33.6 61.9 25.9 28 90 A W T 3 S- 0 0 66 2,-0.1 -2,-0.0 206,-0.1 205,-0.0 0.097 124.1-105.0-103.3 21.3 33.3 58.2 25.0 29 91 A L S < S+ 0 0 146 -3,-2.2 206,-0.0 1,-0.2 -4,-0.0 0.767 71.9 142.7 64.0 31.9 31.0 59.0 22.1 30 92 A A - 0 0 3 204,-0.1 -4,-2.9 206,-0.0 -1,-0.2 -0.846 53.5-114.5 -99.0 135.3 27.7 57.9 23.6 31 93 A P B -A 25 0A 58 0, 0.0 206,-2.7 0, 0.0 2,-0.6 -0.400 15.3-142.2 -70.1 147.6 24.7 60.1 22.7 32 94 A I E -b 237 0B 3 -8,-2.1 2,-0.8 204,-0.2 206,-0.2 -0.961 26.7-129.1-108.4 114.2 23.0 62.2 25.4 33 95 A V E +b 238 0B 6 204,-2.4 206,-1.6 -2,-0.6 2,-0.3 -0.557 41.7 155.7 -76.4 106.5 19.3 62.0 24.6 34 96 A W > - 0 0 12 -2,-0.8 3,-2.2 204,-0.1 4,-0.4 -0.893 53.7 -88.8-123.1 153.9 17.7 65.5 24.4 35 97 A E T 3 S+ 0 0 50 -2,-0.3 221,-0.1 1,-0.3 222,-0.0 -0.417 117.1 33.1 -61.4 135.1 14.5 66.5 22.5 36 98 A G T 3 S+ 0 0 27 2,-0.3 -1,-0.3 -2,-0.1 -3,-0.0 0.102 96.4 87.5 104.1 -21.0 15.7 67.6 19.1 37 99 A T S < S+ 0 0 52 -3,-2.2 2,-0.3 -5,-0.0 -2,-0.1 0.731 87.4 48.9 -83.3 -20.5 18.6 65.2 18.8 38 100 A F - 0 0 43 -4,-0.4 2,-0.7 4,-0.0 -2,-0.3 -0.882 65.5-139.6-126.6 152.7 16.6 62.3 17.3 39 101 A N > - 0 0 49 -2,-0.3 4,-1.9 1,-0.1 3,-0.2 -0.934 18.7-162.5-103.3 108.7 14.0 61.6 14.6 40 102 A I H > S+ 0 0 41 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.788 85.2 62.1 -65.3 -27.2 11.6 59.2 16.3 41 103 A D H > S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.938 106.1 44.5 -64.5 -45.1 10.2 58.1 12.9 42 104 A I H > S+ 0 0 37 -3,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.946 116.0 47.2 -63.2 -47.3 13.6 56.7 11.9 43 105 A L H X S+ 0 0 30 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.889 108.7 53.8 -62.7 -41.3 14.2 55.1 15.2 44 106 A N H X S+ 0 0 44 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.908 108.7 50.6 -60.2 -41.1 10.7 53.5 15.4 45 107 A E H X S+ 0 0 70 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.930 109.4 50.7 -60.6 -48.6 11.3 51.9 12.0 46 108 A Q H < S+ 0 0 87 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.919 116.4 39.6 -57.8 -47.1 14.7 50.5 13.1 47 109 A F H ><>S+ 0 0 18 -4,-2.4 5,-1.9 2,-0.2 3,-0.6 0.839 113.5 52.4 -76.0 -32.3 13.3 48.9 16.2 48 110 A R H ><5S+ 0 0 105 -4,-2.6 3,-2.4 -5,-0.2 -2,-0.2 0.914 102.3 59.9 -68.5 -39.3 10.0 47.7 14.8 49 111 A L T 3<5S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -47,-0.2 0.716 108.4 46.6 -59.5 -18.4 11.8 45.9 12.0 50 112 A Q T < 5S- 0 0 112 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.430 108.3-129.8-100.7 -2.1 13.5 44.0 14.8 51 113 A N T < 5 - 0 0 74 -3,-2.4 -3,-0.2 -4,-0.2 -2,-0.1 0.937 37.4-161.0 50.1 50.4 10.2 43.4 16.5 52 114 A T < - 0 0 4 -5,-1.9 32,-1.1 71,-0.0 2,-0.5 -0.323 12.2-155.2 -65.0 140.9 11.8 44.6 19.7 53 115 A T E -c 84 0B 6 30,-0.1 71,-2.7 -3,-0.1 72,-1.5 -0.985 7.0-158.2-121.7 123.1 10.2 43.8 23.1 54 116 A I E -cd 85 125B 0 30,-2.7 32,-2.3 -2,-0.5 2,-0.4 -0.881 3.0-152.1-106.8 129.5 10.9 46.1 26.0 55 117 A G E -cd 86 126B 0 70,-3.0 72,-2.6 -2,-0.5 2,-0.5 -0.818 5.9-161.6 -98.3 136.5 10.5 45.0 29.6 56 118 A L E -cd 87 127B 0 30,-2.2 32,-2.8 -2,-0.4 2,-0.4 -0.970 9.3-163.8-119.4 115.9 9.6 47.6 32.2 57 119 A T E +cd 88 128B 11 70,-2.9 72,-2.0 -2,-0.5 2,-0.3 -0.826 13.1 168.2-105.2 140.6 10.3 46.6 35.8 58 120 A V E -c 89 0B 2 30,-2.1 32,-2.6 -2,-0.4 2,-0.5 -0.996 24.4-142.7-147.6 144.0 9.0 48.4 38.9 59 121 A F E +c 90 0B 116 70,-0.5 72,-0.5 -2,-0.3 2,-0.4 -0.942 17.4 178.1-110.9 128.0 8.9 47.5 42.6 60 122 A A E +c 91 0B 0 30,-3.1 32,-0.7 -2,-0.5 33,-0.5 -0.843 14.3 163.7-131.6 94.3 5.8 48.4 44.6 61 123 A I > - 0 0 62 -2,-0.4 3,-2.2 30,-0.2 30,-0.1 -0.849 52.9 -24.2-115.1 150.1 6.0 47.4 48.2 62 124 A K G > S- 0 0 122 -2,-0.3 3,-1.4 1,-0.3 4,-0.1 -0.271 134.3 -0.1 55.0-129.4 4.0 48.4 51.3 63 125 A K G > S+ 0 0 151 1,-0.3 3,-1.1 2,-0.1 -1,-0.3 0.584 119.2 80.1 -67.3 -10.1 2.4 51.8 50.8 64 126 A Y G X + 0 0 112 -3,-2.2 3,-1.8 1,-0.2 4,-0.4 0.622 68.4 81.8 -74.7 -11.0 3.9 52.2 47.3 65 127 A V G X S+ 0 0 18 -3,-1.4 3,-0.9 1,-0.3 4,-0.4 0.741 78.9 71.5 -64.7 -19.6 1.3 50.0 45.6 66 128 A A G < S+ 0 0 83 -3,-1.1 4,-0.4 1,-0.2 -1,-0.3 0.689 91.5 57.6 -68.7 -18.0 -0.9 53.1 45.6 67 129 A F G <> S+ 0 0 68 -3,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.648 84.5 84.1 -86.2 -16.2 1.3 54.6 42.9 68 130 A L H <> S+ 0 0 0 -3,-0.9 4,-3.1 -4,-0.4 5,-0.3 0.855 82.4 56.1 -55.7 -45.4 0.8 51.8 40.5 69 131 A K H > S+ 0 0 110 -4,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.963 114.2 37.4 -55.9 -57.3 -2.5 52.9 38.9 70 132 A L H > S+ 0 0 64 -4,-0.4 4,-2.2 2,-0.2 65,-0.3 0.890 117.1 54.8 -62.4 -39.1 -1.2 56.3 37.8 71 133 A F H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 64,-0.3 0.966 114.5 37.2 -58.0 -56.3 2.1 54.8 36.9 72 134 A L H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -2,-0.2 0.866 114.8 54.5 -66.7 -39.3 0.7 52.1 34.6 73 135 A E H X S+ 0 0 69 -4,-2.6 4,-0.7 -5,-0.3 -1,-0.2 0.910 112.8 42.6 -62.0 -43.6 -2.0 54.3 33.1 74 136 A T H X S+ 0 0 16 -4,-2.2 4,-1.5 -5,-0.2 3,-0.5 0.832 109.9 57.1 -72.8 -31.9 0.4 57.0 32.0 75 137 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.2 0.883 101.5 58.2 -65.0 -36.4 2.9 54.4 30.8 76 138 A E H < S+ 0 0 30 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.801 111.2 41.8 -62.9 -27.8 0.1 53.2 28.5 77 139 A K H < S+ 0 0 162 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.700 133.4 14.7 -92.4 -20.0 -0.1 56.6 27.0 78 140 A H H < S+ 0 0 52 -4,-1.5 61,-2.3 -3,-0.1 2,-0.7 0.639 95.6 93.4-130.1 -20.5 3.6 57.4 26.7 79 141 A F B < S-i 139 0C 0 -4,-2.7 61,-0.2 -5,-0.3 -1,-0.1 -0.733 108.7 -37.1 -91.9 115.2 5.9 54.4 27.1 80 142 A M S > S- 0 0 1 59,-2.6 3,-2.5 -2,-0.7 -1,-0.2 0.761 76.8-170.4 48.4 33.9 7.1 52.6 24.0 81 143 A V T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.335 71.0 26.3 -57.4 124.4 3.7 53.0 22.3 82 144 A G T 3 S+ 0 0 59 1,-0.5 -1,-0.3 22,-0.2 2,-0.2 0.092 108.7 87.7 108.9 -21.2 3.6 50.9 19.2 83 145 A H S < S- 0 0 9 -3,-2.5 -1,-0.5 1,-0.1 2,-0.3 -0.641 89.8 -87.6-107.8 166.3 6.2 48.4 20.4 84 146 A R E -c 53 0B 92 -32,-1.1 -30,-2.7 -2,-0.2 2,-0.4 -0.576 48.9-174.1 -74.0 130.0 5.8 45.2 22.4 85 147 A V E -ce 54 106B 1 20,-1.5 22,-2.5 -2,-0.3 2,-0.5 -0.984 16.9-169.0-130.8 138.2 5.9 45.9 26.1 86 148 A H E -ce 55 107B 4 -32,-2.3 -30,-2.2 -2,-0.4 2,-0.3 -0.963 13.3-154.6-127.9 111.9 6.0 43.5 29.1 87 149 A Y E -ce 56 108B 1 20,-3.5 22,-2.7 -2,-0.5 2,-0.5 -0.690 4.4-163.7 -85.3 137.7 5.5 45.1 32.5 88 150 A Y E -ce 57 109B 0 -32,-2.8 -30,-2.1 -2,-0.3 2,-0.7 -0.947 5.2-170.7-125.1 108.3 6.9 43.3 35.5 89 151 A V E -ce 58 110B 0 20,-2.6 22,-2.9 -2,-0.5 2,-0.6 -0.887 4.6-163.7-104.2 113.2 5.5 44.4 38.9 90 152 A F E +ce 59 111B 33 -32,-2.6 -30,-3.1 -2,-0.7 2,-0.3 -0.857 27.9 153.0 -95.6 121.7 7.2 43.1 41.9 91 153 A T E -ce 60 112B 0 20,-1.9 22,-1.8 -2,-0.6 -30,-0.2 -0.979 54.2-140.3-149.1 159.1 5.1 43.6 45.0 92 154 A D S S+ 0 0 59 -32,-0.7 -31,-0.1 -2,-0.3 20,-0.1 0.384 104.1 55.7 -96.2 -0.3 4.3 42.2 48.4 93 155 A Q > + 0 0 72 -33,-0.5 3,-1.8 1,-0.1 4,-0.4 -0.574 59.6 167.7-133.1 70.3 0.6 42.8 47.7 94 156 A P G > S+ 0 0 44 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.852 80.0 53.6 -51.4 -40.9 -0.4 41.0 44.4 95 157 A A G 3 S+ 0 0 108 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.643 100.4 62.8 -71.9 -13.9 -4.1 41.5 45.0 96 158 A A G < S+ 0 0 43 -3,-1.8 -1,-0.3 2,-0.1 -4,-0.0 0.485 74.2 113.0 -89.1 -3.6 -3.6 45.3 45.5 97 159 A V S < S- 0 0 21 -3,-1.3 -31,-0.1 -4,-0.4 -32,-0.0 -0.579 72.9-121.0 -73.0 122.3 -2.3 45.7 41.9 98 160 A P - 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