==== 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 1WT0 . 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) . 13857.0 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 . 36 13.7 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 . 34 12.9 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 0 1 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 0 206 0, 0.0 49,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 50.5 18.6 43.6 10.3 2 64 A V - 0 0 90 47,-0.3 2,-0.1 1,-0.1 47,-0.1 -0.274 360.0 -88.6 -80.3 165.3 16.4 44.7 7.4 3 65 A S - 0 0 109 1,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.407 39.1-114.6 -74.5 145.6 16.6 47.9 5.4 4 66 A L - 0 0 68 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.408 33.9-114.7 -74.4 154.3 14.6 51.0 6.3 5 67 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.368 46.3 -71.5 -84.7 170.4 11.8 52.1 4.0 6 68 A R - 0 0 221 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.391 60.0-174.9 -59.5 137.0 11.8 55.4 2.0 7 69 A M - 0 0 53 -3,-0.1 2,-0.6 2,-0.1 -3,-0.0 -0.995 19.7-144.8-139.0 143.7 11.3 58.2 4.4 8 70 A V + 0 0 120 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.938 38.3 135.5-113.9 119.1 10.8 62.0 3.9 9 71 A Y - 0 0 120 -2,-0.6 -2,-0.1 30,-0.0 30,-0.0 -0.985 56.8 -78.2-156.5 154.7 12.2 64.3 6.5 10 72 A P - 0 0 116 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.203 51.2-108.7 -56.2 143.8 14.2 67.6 6.7 11 73 A Q - 0 0 176 1,-0.1 2,-0.4 0, 0.0 0, 0.0 -0.457 28.9-121.8 -74.0 146.2 17.9 67.4 6.0 12 74 A S - 0 0 103 -2,-0.1 2,-0.6 1,-0.0 -1,-0.1 -0.774 22.2-125.6 -91.8 132.3 20.3 68.0 9.0 13 75 A K > - 0 0 148 -2,-0.4 3,-1.5 1,-0.2 -1,-0.0 -0.672 12.3-159.0 -81.5 117.0 22.8 70.9 8.7 14 76 A V T 3 S+ 0 0 141 -2,-0.6 -1,-0.2 1,-0.3 -2,-0.0 0.823 93.7 50.2 -62.7 -32.6 26.3 69.7 9.2 15 77 A L T 3 S+ 0 0 167 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.078 101.6 74.7 -96.4 24.7 27.5 73.2 10.0 16 78 A T S < S- 0 0 80 -3,-1.5 -3,-0.1 3,-0.0 2,-0.1 -0.979 76.9-133.8-138.2 121.4 24.7 73.8 12.5 17 79 A P - 0 0 94 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 -0.434 11.6-140.0 -69.2 149.0 24.6 72.4 16.1 18 80 A C S S+ 0 0 89 1,-0.3 2,-0.4 -2,-0.1 19,-0.0 0.844 93.7 21.0 -79.5 -31.6 21.2 70.9 17.0 19 81 A R + 0 0 11 3,-0.2 -1,-0.3 1,-0.1 5,-0.2 -0.989 59.4 179.1-135.9 122.6 21.4 72.3 20.5 20 82 A K S S+ 0 0 202 -2,-0.4 3,-0.1 -3,-0.2 -1,-0.1 0.244 81.2 59.0-106.2 12.1 23.8 75.2 21.3 21 83 A D S S+ 0 0 81 1,-0.1 2,-0.3 233,-0.1 -1,-0.1 0.486 106.0 37.5-115.3 -8.2 22.8 75.3 25.0 22 84 A V S S- 0 0 28 -3,-0.0 2,-0.5 12,-0.0 -3,-0.2 -0.962 81.1-101.4-144.7 161.6 23.7 71.8 26.1 23 85 A L - 0 0 97 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.707 32.3-179.9 -81.5 123.6 26.3 69.0 25.7 24 86 A V + 0 0 54 -2,-0.5 8,-2.2 -5,-0.2 2,-0.3 0.382 63.1 43.0-108.3 3.7 24.8 66.3 23.4 25 87 A V B S-A 31 0A 58 6,-0.3 -1,-0.2 8,-0.0 211,-0.0 -0.989 73.6-132.2-148.9 138.4 27.7 63.8 23.4 26 88 A T > - 0 0 3 4,-2.9 3,-2.0 -2,-0.3 6,-0.0 -0.380 35.8-101.0 -84.8 168.3 30.0 62.4 26.1 27 89 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.677 125.1 54.2 -62.4 -17.6 33.8 62.2 25.9 28 90 A W T 3 S- 0 0 66 2,-0.1 -2,-0.0 206,-0.1 205,-0.0 0.114 124.3-105.1-102.8 21.5 33.4 58.5 25.1 29 91 A L S < S+ 0 0 145 -3,-2.0 206,-0.0 1,-0.2 -4,-0.0 0.763 71.9 143.3 62.8 34.4 31.1 59.3 22.2 30 92 A A - 0 0 3 204,-0.1 -4,-2.9 206,-0.0 -1,-0.2 -0.843 53.1-115.4 -99.1 134.7 27.8 58.3 23.8 31 93 A P B -A 25 0A 57 0, 0.0 206,-2.4 0, 0.0 2,-0.6 -0.408 14.9-141.9 -71.5 149.7 24.9 60.5 22.9 32 94 A I E -b 237 0B 4 -8,-2.2 2,-0.7 204,-0.2 206,-0.2 -0.967 27.6-128.1-108.8 115.2 23.2 62.6 25.7 33 95 A V E +b 238 0B 5 204,-2.5 206,-1.8 -2,-0.6 2,-0.3 -0.573 42.6 154.2 -78.0 109.0 19.5 62.5 24.9 34 96 A W > - 0 0 13 -2,-0.7 3,-2.1 204,-0.1 4,-0.4 -0.906 54.7 -86.6-125.7 154.3 17.8 65.9 24.8 35 97 A E T 3 S+ 0 0 51 -2,-0.3 221,-0.1 1,-0.3 222,-0.0 -0.416 117.6 32.9 -60.9 132.4 14.7 66.9 22.8 36 98 A G T 3 S+ 0 0 26 2,-0.3 -1,-0.3 -2,-0.1 -3,-0.0 0.111 95.8 88.2 106.4 -19.7 15.9 68.0 19.4 37 99 A T S < S+ 0 0 55 -3,-2.1 2,-0.3 -5,-0.0 -2,-0.1 0.732 87.1 49.0 -82.6 -22.8 18.8 65.5 19.1 38 100 A F - 0 0 43 -4,-0.4 2,-0.8 4,-0.0 -2,-0.3 -0.878 64.9-141.7-125.0 152.9 16.7 62.7 17.6 39 101 A N >> - 0 0 52 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.937 19.7-161.7-105.5 105.0 14.2 62.1 14.9 40 102 A I H 3> S+ 0 0 40 -2,-0.8 4,-3.0 1,-0.2 5,-0.2 0.764 84.6 62.8 -62.2 -25.9 11.8 59.7 16.6 41 103 A D H 3> S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.911 106.0 44.2 -66.5 -41.9 10.3 58.5 13.3 42 104 A I H <> S+ 0 0 40 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.942 116.7 46.2 -66.4 -47.5 13.7 57.1 12.1 43 105 A L H X S+ 0 0 30 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.906 109.9 53.4 -62.9 -42.0 14.3 55.5 15.5 44 106 A N H X S+ 0 0 44 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.913 109.3 50.1 -59.7 -41.5 10.8 54.0 15.7 45 107 A E H X S+ 0 0 69 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.940 109.9 50.4 -60.2 -49.2 11.4 52.4 12.3 46 108 A Q H < S+ 0 0 86 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.922 115.9 39.9 -57.3 -48.2 14.7 50.9 13.4 47 109 A F H ><>S+ 0 0 18 -4,-2.4 5,-1.7 1,-0.2 3,-0.7 0.848 113.0 53.4 -74.3 -33.2 13.4 49.4 16.6 48 110 A R H ><5S+ 0 0 104 -4,-2.4 3,-2.0 -5,-0.3 -1,-0.2 0.885 102.8 58.4 -67.6 -36.4 10.1 48.2 15.2 49 111 A L T 3<5S+ 0 0 74 -4,-2.1 -47,-0.3 1,-0.3 -1,-0.2 0.688 107.5 48.7 -65.2 -16.2 11.8 46.4 12.3 50 112 A Q T < 5S- 0 0 116 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.364 110.6-127.7-100.9 2.3 13.6 44.5 15.1 51 113 A N T < 5 - 0 0 73 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.945 37.7-159.2 47.4 55.2 10.3 43.8 16.8 52 114 A T < - 0 0 3 -5,-1.7 32,-1.2 72,-0.1 2,-0.5 -0.420 13.6-159.6 -70.5 134.6 11.8 45.2 20.0 53 115 A T E -c 84 0B 7 -2,-0.2 71,-2.6 -3,-0.1 72,-1.5 -0.969 6.4-158.7-116.0 127.6 10.2 44.3 23.4 54 116 A I E -cd 85 125B 0 30,-2.9 32,-2.5 -2,-0.5 2,-0.4 -0.920 3.5-151.6-111.7 128.4 10.9 46.6 26.3 55 117 A G E -cd 86 126B 0 70,-3.2 72,-2.5 -2,-0.5 2,-0.5 -0.822 6.8-162.8 -97.7 134.6 10.5 45.5 29.9 56 118 A L E -cd 87 127B 0 30,-2.3 32,-3.2 -2,-0.4 2,-0.5 -0.978 8.4-161.8-118.2 119.4 9.7 48.1 32.5 57 119 A T E +cd 88 128B 5 70,-2.9 72,-1.9 -2,-0.5 2,-0.4 -0.873 10.9 177.4-108.7 132.8 10.3 47.1 36.1 58 120 A V E -cd 89 129B 2 30,-2.6 32,-2.7 -2,-0.5 2,-0.6 -0.990 18.9-149.8-132.9 142.6 8.8 48.8 39.2 59 121 A F E +c 90 0B 96 70,-0.5 2,-0.5 -2,-0.4 72,-0.5 -0.936 22.6 174.3-115.5 105.3 9.3 47.8 42.8 60 122 A A E +c 91 0B 0 30,-2.5 32,-0.6 -2,-0.6 33,-0.4 -0.874 2.3 169.5-123.2 104.1 6.1 48.7 44.8 61 123 A I > - 0 0 65 -2,-0.5 3,-2.3 30,-0.2 4,-0.1 -0.808 52.1 -31.0-114.7 151.5 5.9 47.7 48.5 62 124 A K G > S+ 0 0 128 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 -0.172 132.2 8.1 48.0-125.4 3.4 48.7 51.3 63 125 A K G > S+ 0 0 138 1,-0.3 3,-1.2 2,-0.1 -1,-0.3 0.663 118.9 74.6 -59.1 -18.4 2.1 52.2 50.9 64 126 A Y G X S+ 0 0 90 -3,-2.3 3,-1.9 1,-0.3 4,-0.4 0.639 72.5 80.2 -73.2 -12.8 3.7 52.6 47.4 65 127 A V G X S+ 0 0 18 -3,-1.7 3,-1.0 1,-0.3 4,-0.4 0.746 80.3 71.9 -64.2 -19.4 1.1 50.3 45.8 66 128 A A G < S+ 0 0 83 -3,-1.2 4,-0.3 1,-0.2 -1,-0.3 0.682 91.6 56.1 -68.8 -18.2 -1.1 53.4 45.8 67 129 A F G <> S+ 0 0 69 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.585 83.7 86.7 -89.8 -11.9 1.1 55.0 43.1 68 130 A L H <> S+ 0 0 0 -3,-1.0 4,-2.9 -4,-0.4 5,-0.3 0.871 81.0 57.5 -56.8 -44.4 0.6 52.1 40.6 69 131 A K H > S+ 0 0 108 -4,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.959 113.7 37.0 -53.6 -57.7 -2.6 53.3 39.0 70 132 A L H > S+ 0 0 65 -4,-0.3 4,-2.4 2,-0.2 65,-0.3 0.882 116.3 54.8 -63.4 -40.3 -1.2 56.7 37.8 71 133 A F H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 64,-0.3 0.950 114.7 38.1 -58.1 -53.0 2.2 55.2 37.0 72 134 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.891 114.9 53.2 -68.6 -41.1 0.7 52.6 34.7 73 135 A E H X S+ 0 0 79 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.2 0.902 113.5 43.2 -62.3 -41.0 -2.0 54.8 33.2 74 136 A T H X S+ 0 0 18 -4,-2.4 4,-1.9 -5,-0.2 5,-0.3 0.824 110.4 55.7 -75.0 -29.2 0.6 57.4 32.2 75 137 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 -2,-0.2 0.884 103.0 57.3 -67.6 -35.9 3.0 54.8 31.0 76 138 A E H < S+ 0 0 32 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.828 112.2 41.8 -62.7 -29.4 0.3 53.6 28.7 77 139 A K H < S+ 0 0 146 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.765 133.6 13.7 -89.3 -26.7 0.1 57.1 27.2 78 140 A H H < S+ 0 0 30 -4,-1.9 61,-2.3 60,-0.1 2,-0.7 0.579 96.2 95.1-127.4 -13.1 3.8 58.0 27.0 79 141 A F B < S-i 139 0C 0 -4,-2.8 61,-0.2 -5,-0.3 3,-0.1 -0.775 108.3 -38.7 -95.9 114.3 6.1 54.9 27.4 80 142 A M S > S- 0 0 1 59,-2.6 3,-2.3 -2,-0.7 -1,-0.2 0.794 77.8-169.2 47.5 37.0 7.3 53.1 24.2 81 143 A V T 3 S+ 0 0 86 1,-0.3 -1,-0.2 58,-0.2 3,-0.1 -0.346 70.4 26.5 -59.7 128.4 3.9 53.6 22.6 82 144 A G T 3 S+ 0 0 59 1,-0.4 -1,-0.3 22,-0.2 2,-0.2 0.159 109.2 89.1 104.3 -17.2 3.7 51.5 19.4 83 145 A H S < S- 0 0 9 -3,-2.3 -1,-0.4 -4,-0.1 2,-0.4 -0.651 89.7 -87.9-110.0 167.0 6.2 49.0 20.7 84 146 A R E -c 53 0B 93 -32,-1.2 -30,-2.9 -2,-0.2 2,-0.4 -0.616 48.6-174.2 -75.8 125.6 5.9 45.7 22.7 85 147 A V E -ce 54 106B 2 20,-1.3 22,-2.4 -2,-0.4 2,-0.5 -0.974 15.9-169.2-126.8 138.1 6.0 46.5 26.4 86 148 A H E -ce 55 107B 5 -32,-2.5 -30,-2.3 -2,-0.4 2,-0.4 -0.971 13.3-154.2-127.2 112.6 6.1 44.1 29.3 87 149 A Y E -ce 56 108B 2 20,-3.2 22,-3.0 -2,-0.5 2,-0.6 -0.714 3.6-162.4 -87.4 136.9 5.5 45.6 32.8 88 150 A Y E -ce 57 109B 0 -32,-3.2 -30,-2.6 -2,-0.4 2,-0.7 -0.947 6.2-172.1-121.8 107.9 7.0 43.8 35.8 89 151 A V E -ce 58 110B 0 20,-2.6 22,-2.7 -2,-0.6 2,-0.7 -0.887 5.4-163.2-104.4 108.7 5.5 44.9 39.0 90 152 A F E +ce 59 111B 43 -32,-2.7 -30,-2.5 -2,-0.7 2,-0.3 -0.817 28.6 153.4 -91.2 118.0 7.2 43.4 42.1 91 153 A T E -ce 60 112B 0 20,-2.3 22,-2.0 -2,-0.7 -30,-0.2 -0.959 53.9-141.5-146.0 162.4 5.0 43.8 45.1 92 154 A D S S+ 0 0 61 -32,-0.6 -31,-0.1 -2,-0.3 20,-0.1 0.331 102.1 57.7-101.4 3.1 4.1 42.4 48.5 93 155 A Q > + 0 0 69 -33,-0.4 3,-2.0 1,-0.1 4,-0.5 -0.577 59.9 168.1-133.4 69.0 0.4 43.0 47.8 94 156 A P G > S+ 0 0 46 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.862 79.7 52.2 -50.0 -43.4 -0.5 41.2 44.6 95 157 A A G 3 S+ 0 0 110 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.561 101.5 63.9 -73.8 -6.1 -4.3 41.7 45.1 96 158 A A G < S+ 0 0 43 -3,-2.0 -1,-0.2 2,-0.1 -4,-0.0 0.560 71.6 114.4 -93.4 -10.4 -3.7 45.4 45.5 97 159 A V S < S- 0 0 26 -3,-1.2 -31,-0.1 -4,-0.5 -32,-0.0 -0.441 73.1-114.9 -64.5 127.6 -2.4 46.0 42.0 98 160 A P - 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