==== 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 1WSZ . 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) . 13820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 62.4 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 . 34 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 19.4 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 1 0 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 0 219 0, 0.0 49,-0.1 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 -5.0 18.7 43.6 10.0 2 64 A V - 0 0 92 47,-0.2 2,-0.1 1,-0.1 47,-0.1 -0.148 360.0 -98.7 -60.3 154.3 16.3 44.6 7.2 3 65 A S - 0 0 108 1,-0.1 -1,-0.1 46,-0.0 0, 0.0 -0.410 36.2-108.9 -76.2 149.9 16.6 47.9 5.4 4 66 A L - 0 0 72 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.342 36.3-114.8 -71.6 156.7 14.6 50.9 6.3 5 67 A P - 0 0 67 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.378 47.5 -68.1 -87.4 172.9 11.9 52.0 3.8 6 68 A R - 0 0 223 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.390 61.5-176.7 -58.8 134.2 11.8 55.2 1.9 7 69 A M - 0 0 52 -3,-0.1 2,-0.5 2,-0.1 -3,-0.0 -0.992 19.3-146.4-137.4 144.5 11.2 58.1 4.4 8 70 A V + 0 0 115 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.953 36.4 137.0-116.4 120.8 10.8 61.8 3.9 9 71 A Y - 0 0 121 -2,-0.5 -2,-0.1 30,-0.0 30,-0.0 -0.985 56.3 -77.3-156.7 155.9 12.2 64.2 6.5 10 72 A P - 0 0 116 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.223 52.7-108.2 -56.5 143.3 14.1 67.5 6.7 11 73 A Q - 0 0 170 1,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.440 27.3-122.5 -73.7 146.1 17.8 67.3 6.1 12 74 A S - 0 0 105 -2,-0.1 2,-0.6 1,-0.0 -1,-0.1 -0.777 23.0-127.4 -90.4 131.9 20.2 67.8 9.0 13 75 A K > - 0 0 143 -2,-0.4 3,-1.5 1,-0.2 -1,-0.0 -0.705 11.3-158.0 -84.0 118.3 22.6 70.7 8.6 14 76 A V T 3 S+ 0 0 141 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.833 95.1 49.7 -62.2 -33.8 26.2 69.5 9.2 15 77 A L T 3 S+ 0 0 167 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.077 101.6 75.4 -94.9 23.5 27.3 73.1 9.9 16 78 A T S < S- 0 0 79 -3,-1.5 -3,-0.1 3,-0.0 -1,-0.1 -0.945 76.5-137.4-137.3 113.2 24.4 73.7 12.4 17 79 A P - 0 0 99 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 -0.310 12.4-136.8 -63.8 153.8 24.5 72.2 15.9 18 80 A C S S+ 0 0 90 1,-0.3 2,-0.4 19,-0.0 19,-0.0 0.881 91.8 19.1 -81.0 -36.8 21.1 70.7 17.0 19 81 A R - 0 0 11 3,-0.2 -1,-0.3 1,-0.1 5,-0.1 -1.000 57.0-178.4-132.3 131.0 21.4 72.3 20.5 20 82 A K S S+ 0 0 208 -2,-0.4 -1,-0.1 -3,-0.2 3,-0.1 0.348 82.2 59.3-108.4 3.5 23.7 75.2 21.4 21 83 A D S S+ 0 0 76 1,-0.1 2,-0.3 233,-0.1 -1,-0.1 0.536 106.0 36.6-107.5 -10.2 22.7 75.2 25.0 22 84 A V S S- 0 0 29 12,-0.0 2,-0.5 232,-0.0 -3,-0.2 -0.951 80.7-101.9-143.2 162.7 23.7 71.7 26.1 23 85 A L - 0 0 95 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.712 31.4-177.7 -81.8 125.3 26.2 68.9 25.6 24 86 A V + 0 0 53 -2,-0.5 8,-2.2 1,-0.2 2,-0.3 0.366 63.9 40.4-108.3 5.3 24.7 66.2 23.3 25 87 A V B S-A 31 0A 59 6,-0.3 -1,-0.2 8,-0.1 211,-0.0 -0.981 74.8-129.2-152.7 139.0 27.5 63.7 23.4 26 88 A T > - 0 0 4 4,-2.9 3,-2.0 -2,-0.3 6,-0.0 -0.349 35.5-101.1 -83.4 167.5 29.9 62.3 26.1 27 89 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.700 125.5 54.2 -61.3 -20.2 33.7 62.1 25.9 28 90 A W T 3 S- 0 0 67 2,-0.1 -2,-0.0 0, 0.0 205,-0.0 0.110 124.5-105.7-100.9 21.8 33.3 58.4 25.1 29 91 A L S < S+ 0 0 146 -3,-2.0 206,-0.0 1,-0.2 -4,-0.0 0.764 71.5 143.9 61.9 33.4 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 -0.834 53.2-115.0 -97.3 133.8 27.7 58.2 23.8 31 93 A P B -A 25 0A 59 0, 0.0 206,-2.6 0, 0.0 2,-0.7 -0.409 15.1-141.6 -70.8 149.7 24.8 60.4 22.9 32 94 A I E -b 237 0B 3 -8,-2.2 2,-0.8 204,-0.2 206,-0.2 -0.964 27.0-128.2-108.8 113.1 23.1 62.4 25.7 33 95 A V E +b 238 0B 5 204,-2.5 206,-1.7 -2,-0.7 2,-0.3 -0.541 42.5 155.7 -74.0 103.5 19.4 62.3 24.8 34 96 A W > - 0 0 12 -2,-0.8 3,-2.1 204,-0.1 4,-0.4 -0.862 54.0 -88.4-120.5 154.8 17.8 65.8 24.7 35 97 A E T 3 S+ 0 0 52 -2,-0.3 221,-0.1 1,-0.3 222,-0.0 -0.436 117.9 32.9 -62.1 135.4 14.7 66.8 22.8 36 98 A G T 3 S+ 0 0 25 2,-0.3 -1,-0.3 -2,-0.1 -3,-0.0 0.164 95.5 89.5 102.1 -17.9 15.8 67.9 19.4 37 99 A T S < S+ 0 0 54 -3,-2.1 2,-0.3 1,-0.1 -2,-0.1 0.695 86.4 48.8 -85.3 -17.3 18.7 65.4 19.1 38 100 A F - 0 0 43 -4,-0.4 2,-0.8 4,-0.0 -2,-0.3 -0.914 64.8-140.7-130.2 151.7 16.6 62.6 17.6 39 101 A N >> - 0 0 55 -2,-0.3 4,-1.8 1,-0.1 3,-0.5 -0.919 20.3-161.7-102.9 104.9 14.1 62.0 14.8 40 102 A I H 3> S+ 0 0 41 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.758 85.0 61.7 -60.8 -26.6 11.7 59.6 16.6 41 103 A D H 3> S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.903 105.9 44.9 -67.4 -41.4 10.3 58.4 13.2 42 104 A I H <> S+ 0 0 38 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.949 116.2 46.4 -67.0 -46.8 13.6 57.0 12.1 43 105 A L H X S+ 0 0 30 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.887 109.2 53.9 -63.0 -41.9 14.3 55.4 15.5 44 106 A N H X S+ 0 0 43 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.911 109.0 50.9 -59.5 -40.7 10.7 53.9 15.7 45 107 A E H X S+ 0 0 64 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.961 109.5 48.9 -59.3 -54.5 11.4 52.3 12.3 46 108 A Q H < S+ 0 0 86 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.903 117.0 41.0 -53.6 -47.1 14.7 50.8 13.3 47 109 A F H <>S+ 0 0 17 -4,-2.4 5,-2.0 2,-0.2 3,-0.4 0.836 113.5 51.3 -75.4 -32.2 13.3 49.3 16.5 48 110 A R H ><5S+ 0 0 103 -4,-2.6 3,-2.4 -5,-0.3 -2,-0.2 0.920 104.3 57.9 -69.4 -40.8 10.0 48.1 15.1 49 111 A L T 3<5S+ 0 0 71 -4,-2.6 -47,-0.2 1,-0.3 -1,-0.2 0.724 108.1 48.3 -60.1 -19.7 11.8 46.3 12.3 50 112 A Q T 3 5S- 0 0 115 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.443 109.7-129.1 -97.3 -1.6 13.5 44.4 15.0 51 113 A N T < 5 - 0 0 73 -3,-2.4 -3,-0.2 1,-0.2 2,-0.1 0.945 37.3-160.0 51.3 51.8 10.2 43.7 16.7 52 114 A T < - 0 0 4 -5,-2.0 32,-1.1 72,-0.1 2,-0.5 -0.398 12.7-157.0 -68.8 134.2 11.8 45.1 19.9 53 115 A T E -c 84 0B 7 -2,-0.1 71,-2.7 -3,-0.1 72,-1.6 -0.954 6.6-158.0-113.9 127.4 10.2 44.2 23.3 54 116 A I E -cd 85 125B 0 30,-2.9 32,-2.4 -2,-0.5 2,-0.4 -0.906 2.6-153.3-110.8 127.4 10.8 46.5 26.3 55 117 A G E -cd 86 126B 0 70,-3.4 72,-2.2 -2,-0.5 2,-0.5 -0.790 7.2-163.9 -95.7 138.0 10.5 45.4 29.8 56 118 A L E -cd 87 127B 1 30,-2.3 32,-2.8 -2,-0.4 2,-0.4 -0.981 9.1-163.7-123.7 118.0 9.7 48.0 32.4 57 119 A T E +cd 88 128B 10 70,-3.0 72,-2.0 -2,-0.5 2,-0.3 -0.831 13.5 168.1-109.3 142.2 10.3 47.1 36.1 58 120 A V E -c 89 0B 2 30,-2.1 32,-2.8 -2,-0.4 2,-0.5 -0.993 24.5-142.7-146.6 144.9 9.0 48.7 39.2 59 121 A F E -c 90 0B 121 70,-0.4 72,-0.5 -2,-0.3 2,-0.5 -0.953 18.6-179.7-111.5 123.8 8.9 47.7 42.9 60 122 A A E +c 91 0B 0 30,-3.4 32,-0.7 -2,-0.5 33,-0.4 -0.849 11.5 165.4-128.2 96.0 5.8 48.7 44.8 61 123 A I > - 0 0 49 -2,-0.5 3,-2.2 30,-0.2 4,-0.1 -0.827 53.0 -25.0-113.1 149.7 5.9 47.6 48.5 62 124 A K G > S+ 0 0 129 -2,-0.3 3,-1.5 1,-0.3 4,-0.2 -0.256 133.6 1.3 55.4-129.7 3.7 48.7 51.4 63 125 A K G > S+ 0 0 127 1,-0.3 3,-1.1 2,-0.1 -1,-0.3 0.590 119.3 78.4 -65.5 -11.9 2.2 52.2 50.8 64 126 A Y G X S+ 0 0 91 -3,-2.2 3,-1.8 1,-0.2 4,-0.3 0.627 71.0 79.3 -75.6 -11.1 3.8 52.5 47.4 65 127 A V G X S+ 0 0 18 -3,-1.5 3,-1.0 1,-0.3 4,-0.4 0.720 80.6 72.2 -66.8 -17.6 1.2 50.2 45.7 66 128 A A G < S+ 0 0 84 -3,-1.1 4,-0.3 1,-0.2 -1,-0.3 0.667 91.4 56.1 -69.7 -17.2 -1.0 53.4 45.8 67 129 A F G <> S+ 0 0 66 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.546 83.8 86.8 -91.7 -9.1 1.2 54.9 43.0 68 130 A L H <> S+ 0 0 0 -3,-1.0 4,-3.2 -4,-0.3 5,-0.3 0.892 81.0 56.4 -58.9 -46.5 0.7 52.0 40.6 69 131 A K H > S+ 0 0 111 -4,-0.4 4,-2.7 1,-0.2 5,-0.2 0.951 113.8 37.9 -53.0 -56.9 -2.6 53.2 39.0 70 132 A L H > S+ 0 0 69 -4,-0.3 4,-2.5 2,-0.2 65,-0.3 0.903 117.0 53.2 -62.4 -42.9 -1.2 56.6 37.9 71 133 A F H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 64,-0.3 0.962 114.8 39.3 -56.0 -56.8 2.2 55.2 37.0 72 134 A L H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.885 115.2 52.3 -63.8 -41.6 0.7 52.5 34.7 73 135 A E H X S+ 0 0 75 -4,-2.7 4,-0.7 -5,-0.3 -1,-0.2 0.905 113.1 43.5 -63.5 -42.9 -1.9 54.7 33.2 74 136 A T H X S+ 0 0 18 -4,-2.5 4,-2.0 -5,-0.2 3,-0.3 0.822 110.4 56.1 -72.5 -29.8 0.5 57.4 32.2 75 137 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.3 -1,-0.2 0.872 102.4 57.2 -67.5 -35.5 3.0 54.8 30.9 76 138 A E H < S+ 0 0 31 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.783 112.0 42.3 -64.5 -26.4 0.3 53.5 28.6 77 139 A K H < S+ 0 0 138 -4,-0.7 -2,-0.2 -3,-0.3 -1,-0.2 0.790 134.0 13.2 -90.8 -29.7 0.0 57.0 27.2 78 140 A H H < S+ 0 0 37 -4,-2.0 61,-2.2 60,-0.1 2,-0.7 0.607 96.7 94.8-124.6 -15.8 3.7 57.9 26.9 79 141 A F B < S-i 139 0C 0 -4,-2.9 61,-0.2 -5,-0.3 3,-0.2 -0.751 108.6 -38.2 -94.3 113.0 6.0 54.8 27.4 80 142 A M S > S- 0 0 1 59,-2.5 3,-2.4 -2,-0.7 -1,-0.2 0.784 77.0-170.0 49.8 35.9 7.2 53.0 24.2 81 143 A V T 3 S+ 0 0 85 1,-0.3 -1,-0.2 -3,-0.2 3,-0.1 -0.363 70.9 26.7 -59.7 124.3 3.8 53.5 22.5 82 144 A G T 3 S+ 0 0 58 1,-0.5 -1,-0.3 22,-0.2 2,-0.2 0.113 108.7 87.9 108.6 -18.7 3.7 51.4 19.4 83 145 A H S < S- 0 0 8 -3,-2.4 -1,-0.5 1,-0.0 2,-0.4 -0.653 89.8 -88.3-109.1 166.5 6.2 48.8 20.6 84 146 A R E -c 53 0B 99 -32,-1.1 -30,-2.9 -2,-0.2 2,-0.4 -0.607 48.6-173.3 -75.2 128.4 5.8 45.6 22.6 85 147 A V E -ce 54 106B 3 20,-1.4 22,-2.5 -2,-0.4 2,-0.5 -0.980 16.8-169.5-129.1 137.8 5.9 46.3 26.4 86 148 A H E -ce 55 107B 4 -32,-2.4 -30,-2.3 -2,-0.4 2,-0.4 -0.964 13.0-155.7-127.4 110.7 6.0 44.0 29.3 87 149 A Y E -ce 56 108B 2 20,-3.1 22,-3.1 -2,-0.5 2,-0.5 -0.706 3.1-162.2 -86.3 138.0 5.5 45.5 32.7 88 150 A Y E -ce 57 109B 0 -32,-2.8 -30,-2.1 -2,-0.4 2,-0.7 -0.954 5.3-169.7-122.7 109.3 6.9 43.7 35.7 89 151 A V E -ce 58 110B 0 20,-2.9 22,-2.4 -2,-0.5 2,-0.6 -0.874 4.1-163.4-104.1 108.1 5.4 44.8 39.0 90 152 A F E +ce 59 111B 29 -32,-2.8 -30,-3.4 -2,-0.7 2,-0.3 -0.804 28.8 151.8 -90.0 122.1 7.2 43.4 42.1 91 153 A T E -ce 60 112B 0 20,-2.1 22,-1.8 -2,-0.6 -30,-0.2 -0.982 54.6-140.4-150.4 160.1 5.0 43.9 45.1 92 154 A D S S+ 0 0 63 -32,-0.7 -31,-0.1 -2,-0.3 20,-0.1 0.347 102.8 57.4 -98.9 2.3 4.2 42.4 48.5 93 155 A Q > + 0 0 68 -33,-0.4 3,-1.6 1,-0.1 4,-0.4 -0.575 58.6 166.8-133.4 69.6 0.5 43.1 47.8 94 156 A P G > S+ 0 0 47 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.851 79.8 54.1 -51.9 -39.8 -0.5 41.2 44.6 95 157 A A G 3 S+ 0 0 108 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.690 100.9 61.2 -71.0 -18.4 -4.2 41.7 45.2 96 158 A A G < S+ 0 0 45 -3,-1.6 -1,-0.2 2,-0.1 -4,-0.0 0.475 73.6 116.1 -87.8 -2.6 -3.7 45.5 45.6 97 159 A V S < S- 0 0 20 -3,-1.2 -31,-0.1 -4,-0.4 -32,-0.0 -0.559 70.8-121.0 -71.0 121.5 -2.4 45.9 42.0 98 160 A P - 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