==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-APR-08 2VS4 . COMPND 2 MOLECULE: N-ACETYLLACTOSAMINIDE . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR P.TUMBALE,H.JAMALUDDIN,N.THIYAGARAJAN,K.BREW,K.R.ACHARYA . 576 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.9 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 . 47 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 24.0 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 6 0 0 0 0 0 2 2 0 0 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 5 0 2 4 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 81 A S 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.4 10.0 -25.6 33.0 2 82 A K - 0 0 142 1,-0.1 2,-0.5 2,-0.0 0, 0.0 0.983 360.0-137.3 74.0 85.2 9.0 -24.7 36.6 3 83 A L - 0 0 52 3,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.596 23.5-161.0 -73.9 118.6 11.1 -21.9 38.1 4 84 A K >> - 0 0 91 -2,-0.5 3,-1.3 1,-0.1 4,-0.5 -0.781 24.8-122.7-103.6 147.0 12.0 -22.9 41.7 5 85 A L H >> S+ 0 0 60 -2,-0.3 4,-3.1 1,-0.3 3,-1.4 0.868 112.3 54.1 -53.5 -44.5 13.1 -20.4 44.4 6 86 A S H 34 S+ 0 0 98 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.728 92.4 75.6 -65.9 -18.9 16.4 -22.3 45.0 7 87 A D H <4 S+ 0 0 65 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.837 123.5 0.7 -58.4 -33.0 17.1 -22.0 41.3 8 88 A W H << S+ 0 0 17 -3,-1.4 26,-1.5 -4,-0.5 2,-0.5 0.525 116.6 79.4-133.8 -13.9 18.0 -18.3 41.9 9 89 A F B < +A 33 0A 10 -4,-3.1 24,-0.2 24,-0.2 -1,-0.1 -0.912 41.7 175.2-111.4 122.3 17.6 -17.4 45.6 10 90 A N > - 0 0 64 22,-2.8 3,-1.4 -2,-0.5 4,-0.2 -0.843 4.7-178.8-125.7 95.4 20.2 -18.3 48.2 11 91 A P G > S+ 0 0 29 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.815 75.3 73.5 -61.3 -33.1 19.4 -16.8 51.7 12 92 A F G 3 S+ 0 0 175 1,-0.3 20,-0.1 2,-0.1 4,-0.0 0.662 81.7 72.9 -58.6 -15.7 22.5 -18.2 53.3 13 93 A K G < S+ 0 0 130 -3,-1.4 -1,-0.3 1,-0.3 3,-0.1 0.758 106.6 34.4 -69.7 -25.6 24.5 -15.5 51.5 14 94 A R X + 0 0 9 -3,-2.1 3,-1.4 -4,-0.2 -1,-0.3 -0.590 69.4 160.1-129.0 68.8 23.1 -12.8 53.8 15 95 A P T 3 + 0 0 109 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.615 67.6 66.4 -66.8 -10.9 22.7 -14.6 57.2 16 96 A E T 3 S+ 0 0 87 -3,-0.1 2,-0.3 2,-0.1 -4,-0.1 0.453 99.5 50.4 -92.7 -1.0 22.6 -11.3 59.1 17 97 A V S < S- 0 0 20 -3,-1.4 2,-0.6 251,-0.0 -3,-0.1 -0.852 97.1 -84.4-131.9 167.2 19.2 -10.1 57.8 18 98 A V + 0 0 78 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.627 48.9 162.8 -74.2 118.0 15.7 -11.4 57.3 19 99 A T + 0 0 22 -2,-0.6 8,-2.1 1,-0.2 2,-0.3 0.469 59.0 40.3-115.0 -8.3 15.7 -13.3 54.0 20 100 A M B -B 26 0B 70 6,-0.2 -1,-0.2 -9,-0.1 2,-0.1 -0.999 67.2-143.6-145.3 142.1 12.5 -15.3 54.3 21 101 A T > - 0 0 19 4,-2.0 3,-0.6 -2,-0.3 6,-0.1 -0.236 33.6-105.4 -91.7-175.9 9.0 -14.6 55.6 22 102 A K T 3 S+ 0 0 153 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.674 119.0 55.7 -85.1 -17.3 6.7 -17.0 57.5 23 103 A W T 3 S- 0 0 56 2,-0.1 -1,-0.2 0, 0.0 225,-0.0 0.089 122.9 -99.7-101.7 21.0 4.5 -17.4 54.4 24 104 A K S < S+ 0 0 147 -3,-0.6 -2,-0.1 1,-0.2 226,-0.0 0.478 75.8 138.4 77.7 8.3 7.4 -18.6 52.2 25 105 A A - 0 0 4 224,-0.1 -4,-2.0 226,-0.1 -1,-0.2 -0.657 49.6-126.3 -87.6 136.9 8.2 -15.3 50.3 26 106 A P B -B 20 0B 8 0, 0.0 226,-2.2 0, 0.0 2,-0.6 -0.504 6.9-143.8 -80.8 150.0 11.8 -14.4 49.8 27 107 A V E -c 252 0C 0 -8,-2.1 2,-0.7 224,-0.2 226,-0.2 -0.965 25.3-136.2-112.0 109.5 13.2 -11.0 50.9 28 108 A V E +c 253 0C 0 224,-2.8 226,-2.2 -2,-0.6 2,-0.3 -0.587 30.6 170.6 -78.8 110.8 15.7 -10.1 48.2 29 109 A W > - 0 0 3 -2,-0.7 3,-2.2 224,-0.1 4,-0.5 -0.827 47.5 -83.8-113.3 153.0 19.0 -8.6 49.5 30 110 A E T 3 S+ 0 0 45 -2,-0.3 240,-0.1 1,-0.2 -1,-0.1 -0.311 118.2 27.5 -54.9 132.3 22.2 -7.9 47.5 31 111 A G T 3 S+ 0 0 36 2,-0.2 -1,-0.2 -3,-0.0 -18,-0.1 0.114 101.5 83.0 101.8 -21.8 24.1 -11.2 47.3 32 112 A T S < S+ 0 0 2 -3,-2.2 -22,-2.8 -19,-0.1 2,-0.3 0.675 78.0 77.0 -88.8 -19.1 21.2 -13.6 47.5 33 113 A Y B -A 9 0A 32 -4,-0.5 2,-0.7 -24,-0.2 -24,-0.2 -0.696 61.8-150.3-102.8 150.2 20.1 -13.5 43.9 34 114 A N > + 0 0 75 -26,-1.5 4,-1.6 -2,-0.3 3,-0.4 -0.795 21.0 175.2-110.2 81.9 21.5 -15.2 40.8 35 115 A R H > S+ 0 0 54 -2,-0.7 4,-3.3 1,-0.2 5,-0.2 0.818 74.6 62.2 -60.9 -31.8 20.5 -12.6 38.1 36 116 A A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 104.9 46.4 -59.6 -46.5 22.3 -14.5 35.4 37 117 A V H > S+ 0 0 56 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.886 116.3 46.2 -62.8 -40.3 20.0 -17.5 35.8 38 118 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.894 107.7 54.7 -71.8 -40.8 17.0 -15.3 35.9 39 119 A D H X S+ 0 0 47 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.938 111.0 46.3 -58.5 -46.5 17.9 -13.2 32.9 40 120 A N H X S+ 0 0 97 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.923 113.4 50.1 -60.4 -44.9 18.3 -16.3 30.8 41 121 A Y H X S+ 0 0 58 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.950 115.4 40.6 -58.8 -54.1 15.0 -17.7 32.1 42 122 A Y H <>S+ 0 0 17 -4,-3.0 5,-1.5 1,-0.2 -1,-0.2 0.780 110.0 59.0 -68.9 -27.8 13.0 -14.6 31.4 43 123 A A H ><5S+ 0 0 53 -4,-2.2 3,-1.4 -5,-0.3 -1,-0.2 0.898 103.0 53.4 -67.2 -39.8 14.7 -14.0 28.0 44 124 A K H 3<5S+ 0 0 155 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 109.4 48.3 -63.0 -31.8 13.5 -17.4 26.9 45 125 A Q T 3<5S- 0 0 89 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.386 106.4-133.4 -88.6 3.9 9.9 -16.3 27.8 46 126 A K T < 5 - 0 0 96 -3,-1.4 -3,-0.2 1,-0.1 -2,-0.1 0.894 36.8-174.5 43.3 56.5 10.4 -13.0 25.9 47 127 A I < - 0 0 4 -5,-1.5 2,-0.4 91,-0.0 -1,-0.1 -0.386 17.9-153.3 -79.7 156.3 9.0 -10.9 28.8 48 128 A T - 0 0 32 31,-0.1 91,-2.6 -2,-0.1 92,-1.1 -0.979 10.5-150.1-126.9 140.5 8.3 -7.2 28.7 49 129 A V E -de 81 140C 0 31,-2.6 33,-2.0 -2,-0.4 2,-0.3 -0.951 6.0-154.5-119.2 132.7 8.4 -5.1 31.9 50 130 A G E -de 82 141C 0 90,-2.7 92,-2.0 -2,-0.4 2,-0.4 -0.695 6.1-168.3-103.6 156.3 6.3 -1.9 32.5 51 131 A L E -de 83 142C 1 31,-1.9 33,-3.2 -2,-0.3 2,-0.3 -0.970 5.1-161.5-144.2 122.9 7.0 0.9 34.8 52 132 A T E +de 84 143C 2 90,-2.4 92,-2.2 -2,-0.4 2,-0.3 -0.817 13.4 171.5-104.8 148.3 4.5 3.7 35.7 53 133 A V E -de 85 144C 1 31,-1.7 33,-2.5 -2,-0.3 2,-0.3 -0.947 17.1-150.5-156.9 133.4 5.5 7.0 37.2 54 134 A F E +d 86 0C 17 90,-0.6 2,-0.3 -2,-0.3 92,-0.3 -0.838 11.9 179.5-107.2 146.4 3.5 10.2 37.9 55 135 A A E +d 87 0C 1 31,-2.6 33,-0.7 -2,-0.3 2,-0.4 -0.869 10.1 172.1-147.4 105.1 4.8 13.7 37.9 56 136 A V > - 0 0 11 -2,-0.3 3,-1.0 31,-0.2 2,-0.1 -0.963 55.1 -17.9-118.8 133.4 2.2 16.4 38.6 57 137 A G T > S- 0 0 23 -2,-0.4 3,-2.1 1,-0.2 4,-0.4 -0.407 129.8 -10.6 73.8-149.9 3.1 20.1 39.1 58 138 A R T 3> S+ 0 0 120 226,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.525 117.7 83.7 -64.7 -4.8 6.7 21.0 40.0 59 139 A Y H <>>S+ 0 0 43 -3,-1.0 4,-2.4 225,-0.3 5,-1.1 0.785 85.4 62.3 -66.2 -25.6 7.6 17.3 40.5 60 140 A I H <>>S+ 0 0 2 -3,-2.1 4,-1.0 3,-0.2 5,-0.7 0.975 109.4 34.9 -62.4 -58.3 8.0 17.3 36.8 61 141 A E H 45S+ 0 0 88 -4,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.879 123.4 46.0 -65.1 -39.3 10.9 19.9 36.7 62 142 A H H <5S+ 0 0 65 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.851 132.8 1.8 -75.3 -34.7 12.4 18.6 40.0 63 143 A Y H X5S+ 0 0 4 -4,-2.4 4,-2.4 -5,-0.2 -3,-0.2 0.698 101.7 82.7-130.0 -24.1 12.3 14.9 39.5 64 144 A L H X S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 84,-0.3 0.895 113.1 51.8 -56.8 -42.7 16.5 12.3 36.7 67 147 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 83,-0.3 0.961 114.7 40.7 -58.6 -54.5 14.1 9.5 37.4 68 148 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.865 111.6 55.0 -64.4 -40.2 13.8 8.5 33.7 69 149 A T H X S+ 0 0 53 -4,-2.9 4,-1.2 -5,-0.3 -1,-0.2 0.922 114.0 42.2 -61.0 -41.0 17.4 9.0 32.9 70 150 A S H X S+ 0 0 8 -4,-2.0 4,-2.2 -5,-0.3 5,-0.3 0.863 112.1 53.3 -74.0 -36.0 18.3 6.5 35.7 71 151 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.919 104.7 55.6 -64.2 -43.1 15.5 4.1 34.9 72 152 A N H < S+ 0 0 33 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.905 114.3 41.9 -54.2 -42.1 16.7 3.9 31.3 73 153 A K H < S+ 0 0 124 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.816 129.9 17.4 -77.3 -35.7 20.1 2.9 32.5 74 154 A H H >< S+ 0 0 22 -4,-2.2 80,-2.5 78,-0.1 2,-0.6 0.623 90.4 104.8-116.6 -17.6 19.4 0.4 35.4 75 155 A F B 3< S-r 154 0D 0 -4,-2.4 80,-0.2 -5,-0.3 78,-0.1 -0.591 104.0 -32.0 -78.9 112.9 15.8 -0.9 35.1 76 156 A M T > S- 0 0 0 78,-2.6 3,-1.6 -2,-0.6 -1,-0.2 0.878 80.2-158.8 50.2 47.4 15.5 -4.4 33.8 77 157 A V T < S+ 0 0 65 -3,-0.6 79,-0.2 1,-0.2 -1,-0.2 -0.290 71.9 29.7 -58.8 136.4 18.5 -4.2 31.6 78 158 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.2 22,-0.2 -2,-0.1 0.390 107.7 85.2 94.8 -1.9 18.5 -6.7 28.8 79 159 A H S < S- 0 0 6 -3,-1.6 -1,-0.2 21,-0.1 -31,-0.1 -0.964 89.0 -91.5-134.3 149.3 14.7 -6.9 28.5 80 160 A P - 0 0 50 0, 0.0 -31,-2.6 0, 0.0 2,-0.4 -0.347 48.3-174.5 -58.7 131.1 12.0 -4.9 26.7 81 161 A V E -df 49 102C 3 20,-2.6 22,-1.2 -33,-0.2 2,-0.4 -0.986 15.8-162.4-132.9 140.6 10.8 -2.1 29.0 82 162 A I E -df 50 103C 19 -33,-2.0 -31,-1.9 -2,-0.4 2,-0.5 -0.992 10.3-151.2-125.0 124.4 7.9 0.4 28.5 83 163 A F E -df 51 104C 1 20,-2.6 22,-1.3 -2,-0.4 2,-0.7 -0.843 5.5-159.5 -96.1 123.7 7.8 3.5 30.6 84 164 A Y E -df 52 105C 1 -33,-3.2 -31,-1.7 -2,-0.5 2,-0.6 -0.920 13.0-165.9-105.5 110.2 4.3 4.8 31.2 85 165 A I E -df 53 106C 0 20,-2.6 22,-2.7 -2,-0.7 2,-0.6 -0.877 7.8-165.9-106.5 121.5 4.5 8.5 32.2 86 166 A M E +df 54 107C 4 -33,-2.5 -31,-2.6 -2,-0.6 2,-0.3 -0.915 21.3 156.3-107.8 117.4 1.6 10.3 33.7 87 167 A V E -df 55 108C 0 20,-2.1 22,-3.0 -2,-0.6 3,-0.2 -0.885 43.2-139.4-133.9 165.0 1.9 14.1 33.8 88 168 A D S S+ 0 0 26 -33,-0.7 2,-0.3 -2,-0.3 -32,-0.1 0.621 99.3 37.6 -99.0 -15.2 -0.6 17.0 34.0 89 169 A D > - 0 0 47 -32,-0.1 3,-1.6 1,-0.1 -1,-0.3 -0.828 63.0-173.3-139.9 95.4 1.3 19.2 31.5 90 170 A V G > S+ 0 0 33 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.726 79.8 71.1 -63.0 -21.5 2.9 17.3 28.6 91 171 A S G 3 S+ 0 0 105 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.677 98.9 47.5 -71.0 -16.5 4.8 20.4 27.4 92 172 A R G < S+ 0 0 58 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.386 84.6 121.2-102.3 1.3 7.1 20.4 30.4 93 173 A M < - 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