==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-APR-09 2WGZ . COMPND 2 MOLECULE: N-ACETYLLACTOSAMINIDE ALPHA-1,3-GALACTOSYL . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.JAMALUDDIN,P.TUMBALE,T.A.FERNS,N.THIYAGARAJAN,K.BREW, . 574 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24802.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 6.8 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 . 2 0.3 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 . 43 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.1 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 4 0 0 0 0 0 0 4 0 0 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 2 0 2 0 4 0 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 . 6 1 2 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 1 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 82 A K 0 0 227 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.8 9.3 -25.4 37.5 2 83 A L - 0 0 38 2,-0.0 2,-0.3 38,-0.0 3,-0.0 -0.346 360.0-168.2 -65.7 126.8 11.1 -22.7 39.6 3 84 A K > - 0 0 113 -2,-0.1 3,-1.3 1,-0.1 4,-0.5 -0.839 31.6-117.4-110.4 153.0 11.6 -23.4 43.3 4 85 A L G >> S+ 0 0 42 -2,-0.3 4,-2.7 1,-0.3 3,-1.3 0.869 114.0 55.7 -55.0 -42.1 12.7 -20.7 45.8 5 86 A S G 34 S+ 0 0 78 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.644 91.2 74.2 -70.0 -16.6 16.0 -22.6 46.6 6 87 A D G <4 S+ 0 0 75 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.795 123.2 3.8 -60.8 -30.3 16.9 -22.6 42.9 7 88 A W T <4 S+ 0 0 14 -3,-1.3 26,-1.7 -4,-0.5 2,-0.5 0.526 117.1 78.2-133.5 -18.6 17.8 -18.9 43.2 8 89 A F B < +A 32 0A 9 -4,-2.7 24,-0.2 24,-0.2 -1,-0.1 -0.907 40.5 172.0-114.6 121.7 17.4 -17.8 46.9 9 90 A N > - 0 0 68 22,-2.7 3,-1.2 -2,-0.5 4,-0.2 -0.902 6.7-176.6-126.4 99.0 19.9 -18.5 49.6 10 91 A P G > S+ 0 0 23 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.758 76.9 72.3 -66.2 -26.0 19.0 -16.7 52.9 11 92 A F G 3 S+ 0 0 173 1,-0.3 20,-0.1 20,-0.1 -2,-0.0 0.585 81.5 72.4 -72.5 -9.0 22.2 -17.9 54.7 12 93 A K G < S+ 0 0 140 -3,-1.2 -1,-0.3 1,-0.3 19,-0.1 0.694 106.7 36.7 -73.4 -20.7 24.3 -15.5 52.6 13 94 A R S X S+ 0 0 21 -3,-1.8 3,-1.0 -4,-0.2 -1,-0.3 -0.628 70.3 161.0-131.3 75.2 22.8 -12.6 54.6 14 95 A P T 3 + 0 0 93 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.652 66.9 62.1 -73.5 -18.1 22.5 -13.9 58.3 15 96 A E T 3 S+ 0 0 170 2,-0.1 2,-0.3 3,-0.0 252,-0.1 0.283 100.8 56.0 -96.5 11.2 22.2 -10.6 60.0 16 97 A V S < S- 0 0 21 -3,-1.0 2,-0.5 251,-0.0 -3,-0.1 -0.873 96.7 -86.4-132.8 167.0 19.0 -9.4 58.3 17 98 A V + 0 0 80 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.662 49.4 160.7 -75.7 120.0 15.4 -10.7 57.9 18 99 A T + 0 0 21 -2,-0.5 8,-2.5 1,-0.2 2,-0.3 0.515 59.3 41.6-118.7 -15.1 15.4 -12.9 54.9 19 100 A M B -B 25 0B 72 6,-0.2 -1,-0.2 -9,-0.1 2,-0.2 -0.998 69.6-140.0-137.1 142.3 12.2 -15.0 55.4 20 101 A T > - 0 0 10 4,-2.1 3,-2.0 -2,-0.3 6,-0.0 -0.522 33.6-105.8 -92.0 165.7 8.8 -14.0 56.6 21 102 A K T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.721 124.7 54.1 -61.1 -21.9 6.5 -16.1 58.9 22 103 A W T 3 S- 0 0 59 2,-0.1 -1,-0.3 0, 0.0 225,-0.0 0.172 123.2-106.6 -98.9 16.4 4.5 -16.9 55.8 23 104 A K S < S+ 0 0 152 -3,-2.0 -2,-0.1 1,-0.2 226,-0.0 0.673 70.7 143.0 71.1 22.7 7.6 -18.2 53.9 24 105 A A - 0 0 4 224,-0.1 -4,-2.1 1,-0.0 -1,-0.2 -0.718 50.9-115.4 -87.3 142.9 8.1 -15.3 51.5 25 106 A P B -B 19 0B 8 0, 0.0 226,-2.6 0, 0.0 2,-0.6 -0.511 10.7-147.0 -76.3 146.1 11.7 -14.3 50.7 26 107 A V E -c 251 0C 0 -8,-2.5 2,-0.7 -2,-0.2 226,-0.2 -0.970 27.7-136.5-105.7 109.8 13.1 -10.9 51.6 27 108 A V E +c 252 0C 0 224,-2.9 226,-2.1 -2,-0.6 2,-0.3 -0.586 31.9 170.5 -80.0 109.7 15.5 -10.3 48.8 28 109 A W >> - 0 0 3 -2,-0.7 3,-2.0 224,-0.1 4,-0.5 -0.823 45.9 -86.1-111.0 154.5 18.9 -8.8 49.9 29 110 A E T 34 S+ 0 0 46 -2,-0.3 240,-0.1 1,-0.2 -1,-0.0 -0.404 118.2 27.6 -55.0 127.6 22.1 -8.3 48.0 30 111 A G T 34 S+ 0 0 38 2,-0.2 -1,-0.2 -2,-0.1 -18,-0.0 0.062 103.6 81.4 105.1 -22.6 24.0 -11.6 48.1 31 112 A T T <4 S+ 0 0 3 -3,-2.0 -22,-2.7 -19,-0.1 2,-0.3 0.684 78.5 77.3 -86.5 -21.2 20.9 -13.9 48.5 32 113 A Y B < -A 8 0A 31 -4,-0.5 2,-0.8 -24,-0.2 -24,-0.2 -0.707 61.7-150.4-105.0 144.7 19.9 -14.1 44.9 33 114 A N > + 0 0 76 -26,-1.7 4,-1.5 -2,-0.3 3,-0.2 -0.847 20.2 175.8-106.7 89.4 21.3 -16.1 41.9 34 115 A R H > S+ 0 0 58 -2,-0.8 4,-3.2 1,-0.2 5,-0.2 0.848 74.5 60.6 -66.6 -35.9 20.4 -13.8 39.0 35 116 A A H > S+ 0 0 74 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 105.2 48.6 -58.3 -42.2 22.2 -15.9 36.4 36 117 A V H > S+ 0 0 54 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 115.8 43.7 -61.9 -47.3 19.9 -18.9 37.2 37 118 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.872 108.1 56.8 -69.4 -41.1 16.8 -16.6 36.9 38 119 A D H X S+ 0 0 50 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.910 112.0 44.2 -55.5 -43.8 17.9 -14.8 33.8 39 120 A N H X S+ 0 0 94 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.929 113.4 50.4 -65.3 -47.9 18.2 -18.2 32.0 40 121 A Y H X S+ 0 0 63 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.914 116.5 40.1 -55.6 -48.3 14.8 -19.5 33.5 41 122 A Y H X>S+ 0 0 16 -4,-2.9 5,-1.2 1,-0.2 4,-0.6 0.805 109.7 58.1 -77.0 -31.7 12.9 -16.4 32.4 42 123 A A H <5S+ 0 0 55 -4,-2.0 3,-0.2 -5,-0.3 -1,-0.2 0.840 106.1 50.9 -64.3 -35.0 14.7 -16.0 29.0 43 124 A K H <5S+ 0 0 159 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.772 110.8 48.6 -72.4 -29.3 13.5 -19.5 28.1 44 125 A Q H <5S- 0 0 91 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.564 106.3-135.3 -81.4 -11.9 9.9 -18.5 29.1 45 126 A K T <5 - 0 0 94 -4,-0.6 -3,-0.2 -3,-0.2 2,-0.2 0.974 35.3-175.2 51.5 64.6 10.3 -15.3 27.0 46 127 A I < - 0 0 1 -5,-1.2 2,-0.4 91,-0.0 -1,-0.1 -0.506 19.2-152.7 -86.9 157.2 8.8 -12.9 29.6 47 128 A T - 0 0 32 -2,-0.2 91,-2.8 31,-0.1 92,-1.3 -0.992 9.0-153.2-125.6 137.9 8.1 -9.2 29.2 48 129 A V E -de 80 139C 0 31,-2.1 33,-2.0 -2,-0.4 92,-0.2 -0.943 7.1-153.9-114.2 131.3 8.1 -6.9 32.2 49 130 A G E -de 81 140C 0 90,-2.8 92,-1.9 -2,-0.4 2,-0.3 -0.602 4.9-164.1 -97.3 162.9 6.1 -3.7 32.4 50 131 A L E -de 82 141C 0 31,-1.7 33,-3.5 -2,-0.2 2,-0.4 -0.886 3.5-159.7-149.9 114.4 6.7 -0.5 34.4 51 132 A T E +de 83 142C 2 90,-2.3 92,-2.2 -2,-0.3 2,-0.3 -0.760 14.6 174.1 -92.8 141.4 4.2 2.2 35.1 52 133 A V E -de 84 143C 0 31,-2.2 33,-2.6 -2,-0.4 2,-0.4 -0.980 15.2-153.4-148.1 135.5 5.3 5.7 36.1 53 134 A F E +d 85 0C 15 90,-0.6 2,-0.3 -2,-0.3 92,-0.3 -0.888 12.7 176.3-108.6 137.3 3.3 8.9 36.6 54 135 A A E +d 86 0C 1 31,-2.6 33,-0.7 -2,-0.4 2,-0.4 -0.901 8.5 172.7-140.5 114.0 4.6 12.4 36.2 55 136 A V > - 0 0 12 -2,-0.3 3,-1.1 31,-0.2 2,-0.1 -0.978 54.7 -24.1-124.7 132.2 2.1 15.3 36.7 56 137 A G T > S- 0 0 22 -2,-0.4 3,-1.8 1,-0.2 4,-0.4 -0.441 130.4 -4.0 70.6-139.6 3.0 19.0 36.8 57 138 A R T 3> S+ 0 0 120 226,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.647 119.3 79.0 -63.2 -19.0 6.5 19.9 37.8 58 139 A Y H <>>S+ 0 0 39 -3,-1.1 4,-2.3 225,-0.3 5,-1.1 0.770 86.5 63.2 -58.1 -28.0 7.4 16.3 38.5 59 140 A I H <>>S+ 0 0 2 -3,-1.8 4,-1.3 3,-0.2 5,-0.7 0.986 110.1 33.4 -60.8 -60.9 7.8 15.9 34.7 60 141 A E H 45S+ 0 0 75 -4,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.846 123.6 47.9 -65.6 -37.4 10.7 18.3 34.4 61 142 A H H <5S+ 0 0 46 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.886 131.9 0.6 -70.4 -43.1 12.2 17.5 37.8 62 143 A Y H X5S+ 0 0 5 -4,-2.3 4,-2.4 -5,-0.2 -3,-0.2 0.688 103.2 82.3-126.6 -27.3 12.2 13.6 37.7 63 144 A L H X S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 84,-0.3 0.856 112.5 49.8 -65.5 -37.4 16.2 10.9 35.2 66 147 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 83,-0.3 0.959 115.6 41.7 -62.3 -52.9 13.9 8.1 36.1 67 148 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.864 112.0 53.1 -67.1 -41.6 13.6 6.8 32.5 68 149 A T H X S+ 0 0 59 -4,-2.8 4,-1.4 -5,-0.2 -1,-0.2 0.918 115.1 42.6 -58.8 -44.2 17.3 7.2 31.6 69 150 A S H X S+ 0 0 12 -4,-1.6 4,-2.0 -5,-0.2 5,-0.2 0.860 112.7 52.2 -72.4 -37.1 18.2 5.1 34.7 70 151 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.892 106.6 54.7 -63.9 -42.4 15.4 2.6 34.1 71 152 A N H < S+ 0 0 34 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.903 114.7 40.7 -52.5 -45.3 16.6 2.1 30.6 72 153 A K H < S+ 0 0 138 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.829 131.2 18.7 -73.6 -36.0 20.1 1.3 32.0 73 154 A H H >< S+ 0 0 14 -4,-2.0 80,-2.4 79,-0.1 2,-0.7 0.652 89.3 100.7-118.9 -22.9 19.2 -0.9 35.0 74 155 A F B 3< S-r 153 0D 0 -4,-2.4 80,-0.2 -5,-0.2 4,-0.2 -0.657 105.0 -30.7 -86.3 112.7 15.6 -2.4 34.9 75 156 A M T > S- 0 0 0 78,-2.5 3,-1.7 -2,-0.7 -1,-0.2 0.860 78.7-161.6 53.9 45.3 15.4 -6.1 33.9 76 157 A V T < S+ 0 0 66 -3,-0.5 79,-0.2 1,-0.3 -1,-0.2 -0.316 72.6 30.5 -60.2 134.9 18.4 -5.9 31.5 77 158 A G T 3 S+ 0 0 50 22,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.378 108.9 84.5 94.9 -2.0 18.4 -8.8 29.1 78 159 A H S < S- 0 0 5 -3,-1.7 -1,-0.3 -4,-0.2 -31,-0.1 -0.962 89.6 -93.9-131.4 147.7 14.6 -9.0 29.0 79 160 A P - 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