==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-JUL-11 3SXD . COMPND 2 MOLECULE: HISTO-BLOOD GROUP ABO SYSTEM TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.R.JOHAL,S.V.EVANS . 272 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.2 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 0 0 1 2 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 62 A F 0 0 225 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.9 -20.4 -34.4 28.7 2 63 A M - 0 0 139 3,-0.0 3,-0.1 49,-0.0 49,-0.1 -0.957 360.0-139.0-118.9 112.7 -18.7 -31.0 29.3 3 64 A V - 0 0 75 -2,-0.6 2,-0.1 47,-0.2 47,-0.1 -0.170 35.9 -80.8 -66.2 167.1 -16.5 -30.5 32.4 4 65 A S - 0 0 104 1,-0.1 -1,-0.1 46,-0.0 0, 0.0 -0.396 41.3-118.9 -70.7 142.4 -16.5 -27.3 34.5 5 66 A L - 0 0 67 -2,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.422 33.8-115.7 -67.3 151.2 -14.5 -24.3 33.4 6 67 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 40,-0.0 -0.412 45.6 -70.5 -77.5 173.6 -11.8 -23.3 35.9 7 68 A R - 0 0 221 -2,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.349 59.1-179.0 -58.6 138.2 -11.8 -20.0 37.7 8 69 A M - 0 0 50 -3,-0.1 2,-0.6 2,-0.1 -3,-0.0 -0.996 21.9-144.8-141.7 148.9 -11.1 -17.1 35.3 9 70 A V + 0 0 118 -2,-0.3 -2,-0.0 3,-0.0 3,-0.0 -0.942 40.0 136.7-118.3 119.1 -10.7 -13.4 35.9 10 71 A Y - 0 0 106 -2,-0.6 -2,-0.1 32,-0.0 30,-0.0 -0.954 58.9 -67.3-154.0 167.0 -12.1 -11.2 33.1 11 72 A P - 0 0 115 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.333 55.8-112.8 -65.4 139.4 -14.1 -8.0 32.6 12 73 A Q - 0 0 137 1,-0.1 2,-0.3 -2,-0.0 -3,-0.0 -0.519 25.1-124.0 -69.3 131.0 -17.8 -8.3 33.6 13 74 A P - 0 0 105 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.604 25.1-148.6 -70.8 139.1 -20.3 -8.2 30.8 14 75 A K > - 0 0 121 3,-0.4 3,-1.9 -2,-0.3 -2,-0.0 -0.949 8.0-150.5-116.8 122.6 -22.8 -5.4 31.5 15 76 A V T 3 S+ 0 0 141 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.736 95.6 52.8 -61.9 -27.6 -26.3 -5.8 30.2 16 77 A L T 3 S+ 0 0 168 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.254 103.4 66.6 -99.7 9.4 -27.0 -2.0 29.8 17 78 A T S < S- 0 0 94 -3,-1.9 -3,-0.4 3,-0.0 -1,-0.1 -0.882 76.9-149.2-130.6 109.1 -23.8 -1.6 27.8 18 79 A P - 0 0 74 0, 0.0 3,-0.2 0, 0.0 -2,-0.1 -0.438 13.2-137.3 -65.4 147.8 -23.7 -3.2 24.4 19 80 A C S S+ 0 0 90 1,-0.3 2,-0.5 -2,-0.1 19,-0.1 0.971 94.6 16.5 -61.3 -57.2 -20.3 -4.4 23.0 20 81 A R + 0 0 12 1,-0.1 -1,-0.3 3,-0.1 5,-0.2 -0.982 56.2 172.7-129.8 122.5 -21.1 -3.0 19.5 21 82 A K S S+ 0 0 172 -2,-0.5 -1,-0.1 -3,-0.2 -2,-0.0 0.443 75.5 68.0 -98.9 -7.8 -23.9 -0.5 18.8 22 83 A D S S+ 0 0 88 242,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.576 101.9 33.7 -93.2 -13.0 -22.9 -0.0 15.2 23 84 A V S S- 0 0 27 -3,-0.0 2,-0.5 12,-0.0 -3,-0.1 -0.941 85.8 -96.7-142.5 164.1 -23.8 -3.4 13.8 24 85 A L - 0 0 100 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.694 34.8-179.4 -79.1 124.5 -26.3 -6.3 14.2 25 86 A V + 0 0 54 -2,-0.5 8,-2.5 1,-0.2 2,-0.3 0.378 65.3 42.7-103.1 -1.1 -24.7 -9.0 16.4 26 87 A V B S-A 32 0A 62 6,-0.3 -1,-0.2 8,-0.1 220,-0.0 -0.988 78.0-130.1-142.9 134.6 -27.5 -11.5 16.4 27 88 A T > - 0 0 2 4,-3.5 3,-2.5 -2,-0.3 4,-0.1 -0.380 36.8-101.5 -76.4 167.9 -29.7 -12.7 13.5 28 89 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.592 125.4 57.9 -68.8 -10.8 -33.5 -12.8 13.9 29 90 A W T 3 S- 0 0 64 2,-0.1 -2,-0.1 215,-0.1 214,-0.0 0.145 124.4-105.2-101.0 27.4 -33.2 -16.6 14.5 30 91 A L S < S+ 0 0 147 -3,-2.5 215,-0.0 1,-0.3 -4,-0.0 0.841 72.1 144.0 62.3 39.8 -30.9 -15.9 17.5 31 92 A A - 0 0 3 -4,-0.1 -4,-3.5 213,-0.0 -1,-0.3 -0.927 54.0-115.3-102.0 130.1 -27.6 -16.9 15.8 32 93 A P B -A 26 0A 63 0, 0.0 215,-2.5 0, 0.0 2,-0.5 -0.344 16.6-143.6 -56.1 140.8 -24.6 -14.8 16.9 33 94 A I E -b 247 0B 4 -8,-2.5 2,-0.8 213,-0.2 215,-0.2 -0.980 26.7-129.3-107.8 117.2 -23.0 -12.7 14.1 34 95 A V E +b 248 0B 6 213,-2.2 215,-1.8 -2,-0.5 2,-0.3 -0.664 43.2 152.7 -86.2 107.1 -19.3 -12.8 14.9 35 96 A W > - 0 0 12 -2,-0.8 3,-1.8 213,-0.1 4,-0.4 -0.910 54.1 -87.0-122.9 155.9 -17.6 -9.3 15.0 36 97 A E T 3 S+ 0 0 51 -2,-0.3 230,-0.1 1,-0.2 231,-0.0 -0.398 116.5 34.7 -59.7 134.6 -14.6 -8.2 17.0 37 98 A G T 3 S+ 0 0 32 2,-0.3 -1,-0.2 -2,-0.1 3,-0.0 0.321 99.1 86.0 103.4 -7.4 -15.7 -7.0 20.5 38 99 A T S < S+ 0 0 52 -3,-1.8 2,-0.4 -19,-0.1 -2,-0.1 0.632 85.6 50.2 -93.0 -19.3 -18.5 -9.6 20.8 39 100 A F - 0 0 45 -4,-0.4 2,-0.8 -20,-0.0 -2,-0.3 -0.920 64.6-142.7-129.3 145.5 -16.5 -12.5 22.1 40 101 A N > - 0 0 48 -2,-0.4 4,-2.0 1,-0.1 3,-0.3 -0.912 20.1-161.9 -99.1 106.7 -14.0 -13.1 25.0 41 102 A I H > S+ 0 0 41 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.756 84.5 62.8 -68.3 -22.9 -11.6 -15.5 23.2 42 103 A D H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 106.1 43.9 -67.0 -37.9 -10.2 -16.7 26.5 43 104 A I H > S+ 0 0 38 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.947 116.1 47.5 -68.5 -49.3 -13.6 -18.1 27.6 44 105 A L H X S+ 0 0 30 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.917 110.8 51.6 -56.9 -46.3 -14.2 -19.6 24.1 45 106 A N H X S+ 0 0 43 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.910 110.1 49.5 -60.5 -41.2 -10.6 -21.2 24.0 46 107 A E H X S+ 0 0 64 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.954 110.7 49.8 -61.2 -47.1 -11.2 -22.8 27.4 47 108 A Q H X S+ 0 0 83 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.918 117.4 39.5 -57.1 -48.8 -14.6 -24.2 26.3 48 109 A F H <>S+ 0 0 26 -4,-2.7 5,-1.9 2,-0.2 3,-0.4 0.859 113.2 53.2 -77.7 -26.6 -13.2 -25.7 23.1 49 110 A R H ><5S+ 0 0 106 -4,-2.7 3,-2.0 -5,-0.3 -2,-0.2 0.895 103.0 59.8 -72.5 -32.9 -9.9 -26.9 24.6 50 111 A L H 3<5S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.3 -47,-0.2 0.770 106.6 47.3 -63.9 -24.5 -11.9 -28.8 27.3 51 112 A Q T 3<5S- 0 0 90 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.358 110.8-124.4 -93.5 5.4 -13.5 -30.7 24.6 52 113 A N T < 5 - 0 0 75 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.936 40.1-159.1 50.1 52.2 -10.2 -31.5 22.8 53 114 A T < - 0 0 5 -5,-1.9 32,-1.3 80,-0.1 2,-0.5 -0.348 13.3-160.4 -66.6 131.9 -11.7 -29.9 19.7 54 115 A T E -c 85 0B 18 -3,-0.1 80,-2.2 30,-0.1 81,-1.5 -0.969 4.2-159.4-113.0 130.6 -10.1 -30.8 16.3 55 116 A I E -cd 86 135B 0 30,-3.0 32,-2.5 -2,-0.5 2,-0.3 -0.929 3.4-153.8-109.2 124.4 -10.8 -28.6 13.3 56 117 A G E -cd 87 136B 0 79,-3.1 81,-2.0 -2,-0.5 2,-0.5 -0.779 7.9-160.2 -90.6 137.6 -10.4 -29.8 9.7 57 118 A L E -cd 88 137B 0 30,-2.4 32,-3.2 -2,-0.3 2,-0.4 -0.997 7.0-159.5-119.0 119.8 -9.6 -27.0 7.1 58 119 A T E +cd 89 138B 1 79,-3.5 81,-2.1 -2,-0.5 2,-0.3 -0.853 15.2 170.2-102.9 136.0 -10.3 -28.0 3.5 59 120 A V E -c 90 0B 1 30,-2.2 32,-2.9 -2,-0.4 2,-0.5 -0.995 22.1-145.8-144.2 137.8 -8.8 -26.2 0.6 60 121 A F E +c 91 0B 22 79,-0.5 81,-0.4 -2,-0.3 2,-0.4 -0.899 15.5 177.7-103.4 130.7 -8.7 -26.9 -3.2 61 122 A A E +c 92 0B 0 30,-3.3 32,-0.6 -2,-0.5 33,-0.5 -0.812 13.9 166.8-136.0 92.8 -5.6 -26.1 -5.2 62 123 A I > - 0 0 26 -2,-0.4 3,-2.1 30,-0.2 30,-0.1 -0.861 54.8 -27.6-113.6 142.5 -6.1 -27.2 -8.8 63 124 A K G > S+ 0 0 149 -2,-0.4 3,-1.6 1,-0.3 4,-0.2 -0.247 134.8 0.8 55.7-126.4 -3.9 -26.2 -11.8 64 125 A K G > S+ 0 0 185 1,-0.3 3,-2.0 2,-0.1 -1,-0.3 0.697 117.7 80.9 -67.8 -19.5 -2.3 -22.8 -11.3 65 126 A Y G X + 0 0 119 -3,-2.1 3,-1.9 1,-0.3 4,-0.4 0.664 67.9 82.7 -70.4 -3.9 -3.9 -22.4 -7.8 66 127 A V G X S+ 0 0 20 -3,-1.6 3,-1.5 1,-0.3 4,-0.4 0.843 79.1 70.7 -67.7 -20.1 -1.2 -24.5 -6.2 67 128 A A G < S+ 0 0 85 -3,-2.0 3,-0.4 1,-0.3 4,-0.3 0.735 91.1 57.8 -66.5 -16.5 0.9 -21.3 -6.2 68 129 A F G <> S+ 0 0 59 -3,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.565 85.3 83.7 -86.1 -11.9 -1.4 -19.8 -3.4 69 130 A L H <> S+ 0 0 0 -3,-1.5 4,-3.1 -4,-0.4 5,-0.3 0.861 79.9 58.3 -68.4 -33.4 -0.7 -22.7 -1.0 70 131 A K H > S+ 0 0 105 -4,-0.4 4,-2.5 -3,-0.4 5,-0.2 0.957 115.1 35.5 -65.3 -50.5 2.6 -21.5 0.6 71 132 A L H > S+ 0 0 69 -4,-0.3 4,-2.3 2,-0.2 74,-0.3 0.874 116.9 54.6 -65.9 -39.7 1.2 -18.2 1.8 72 133 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 73,-0.3 0.970 116.1 37.4 -58.8 -51.8 -2.2 -19.7 2.6 73 134 A L H X S+ 0 0 0 -4,-3.1 4,-1.9 -5,-0.2 -2,-0.2 0.899 115.3 52.3 -70.4 -36.5 -0.7 -22.4 4.8 74 135 A E H X S+ 0 0 64 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.889 114.1 43.2 -72.4 -36.1 2.1 -20.3 6.4 75 136 A T H X S+ 0 0 14 -4,-2.3 4,-1.4 -5,-0.2 5,-0.3 0.865 108.6 58.2 -76.9 -26.3 -0.4 -17.6 7.5 76 137 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 3,-0.3 0.898 103.5 55.0 -64.0 -35.3 -2.9 -20.3 8.7 77 138 A E H < S+ 0 0 33 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 112.0 44.3 -64.9 -34.6 -0.1 -21.5 11.0 78 139 A K H < S+ 0 0 155 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.762 133.6 9.7 -76.6 -26.1 0.2 -17.9 12.3 79 140 A H H < S+ 0 0 50 -4,-1.4 70,-2.8 -3,-0.3 2,-0.7 0.532 95.8 95.6-138.9 -15.0 -3.6 -17.1 12.8 80 141 A F B < S-i 149 0C 0 -4,-2.8 70,-0.2 -5,-0.3 4,-0.1 -0.817 107.2 -37.4-101.7 112.2 -6.0 -20.1 12.4 81 142 A M S > S- 0 0 1 68,-2.8 3,-2.2 -2,-0.7 -1,-0.2 0.794 76.5-169.3 54.4 37.5 -7.1 -22.0 15.5 82 143 A V T 3 S+ 0 0 88 1,-0.3 -1,-0.2 67,-0.2 3,-0.1 -0.346 70.8 24.1 -65.9 128.0 -3.7 -21.6 17.1 83 144 A G T 3 S+ 0 0 61 1,-0.4 -1,-0.3 22,-0.2 2,-0.2 0.182 108.9 91.7 102.1 -15.5 -3.5 -23.9 20.3 84 145 A H S < S- 0 0 8 -3,-2.2 -1,-0.4 -4,-0.1 2,-0.4 -0.608 89.5 -90.8-103.3 161.8 -6.2 -26.2 19.0 85 146 A R E -c 54 0B 104 -32,-1.3 -30,-3.0 -2,-0.2 2,-0.4 -0.704 48.1-174.8 -73.6 132.2 -5.8 -29.4 17.0 86 147 A V E -ce 55 107B 2 20,-1.5 22,-2.6 -2,-0.4 2,-0.5 -0.977 17.6-169.4-130.7 135.5 -5.9 -28.8 13.2 87 148 A H E -ce 56 108B 4 -32,-2.5 -30,-2.4 -2,-0.4 2,-0.4 -0.977 13.0-155.6-122.4 119.1 -5.9 -31.1 10.2 88 149 A Y E -ce 57 109B 2 20,-3.3 22,-2.6 -2,-0.5 2,-0.5 -0.741 3.4-163.5 -88.3 136.2 -5.5 -29.4 6.8 89 150 A Y E -ce 58 110B 0 -32,-3.2 -30,-2.2 -2,-0.4 2,-0.7 -0.973 6.3-168.1-118.4 111.5 -6.9 -31.4 3.8 90 151 A V E -ce 59 111B 0 20,-2.9 22,-3.2 -2,-0.5 2,-0.6 -0.911 4.6-159.6-104.9 114.9 -5.4 -30.0 0.6 91 152 A F E +ce 60 112B 0 -32,-2.9 -30,-3.3 -2,-0.7 2,-0.3 -0.858 28.7 154.4 -89.8 124.0 -7.2 -31.3 -2.5 92 153 A T E -ce 61 113B 0 20,-2.3 22,-2.0 -2,-0.6 -30,-0.2 -0.993 54.0-144.2-152.9 148.9 -5.0 -31.0 -5.5 93 154 A D S S+ 0 0 51 -32,-0.6 -31,-0.1 -2,-0.3 20,-0.1 0.441 103.1 53.1 -81.0 -6.9 -4.2 -32.3 -9.0 94 155 A Q > + 0 0 71 -33,-0.5 3,-2.1 1,-0.1 4,-0.4 -0.629 59.9 170.3-130.6 74.5 -0.4 -31.7 -8.3 95 156 A P G > S+ 0 0 47 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.871 80.1 56.7 -58.5 -33.2 0.6 -33.4 -5.1 96 157 A A G 3 S+ 0 0 110 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.632 100.0 60.8 -74.0 -12.3 4.3 -32.8 -5.7 97 158 A A G < S+ 0 0 43 -3,-2.1 -1,-0.3 2,-0.1 -4,-0.0 0.427 73.1 111.2 -89.6 -4.4 3.6 -29.0 -6.0 98 159 A V S < S- 0 0 23 -3,-1.4 -31,-0.1 -4,-0.4 2,-0.1 -0.599 74.9-120.5 -69.1 127.9 2.3 -28.7 -2.4 99 160 A P - 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