==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-DEC-06 2JCL . COMPND 2 MOLECULE: N-ACETYLLACTOSAMINIDE . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR H.JAMALUDDIN,P.TUMBALE,S.G.WITHERS,K.R.ACHARYA,K.BREW . 554 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23524.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 7.0 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 0.4 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 . 51 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 3 1 0 0 0 0 1 4 1 0 1 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 2 1 0 1 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 2 1 2 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 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 1082 A K 0 0 258 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-132.4 38.2 15.5 36.1 2 1083 A L - 0 0 43 5,-0.0 5,-0.1 0, 0.0 0, 0.0 -0.588 360.0-142.4-165.2 97.2 37.9 18.7 34.1 3 1084 A K > - 0 0 146 -2,-0.1 3,-0.5 1,-0.1 4,-0.2 -0.107 18.4-123.7 -61.2 159.0 35.2 21.2 35.2 4 1085 A L G >> S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 3,-2.3 0.934 113.9 60.6 -64.2 -47.4 33.2 23.2 32.6 5 1086 A S G 34 S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.673 91.0 73.4 -49.2 -21.7 34.3 26.4 34.4 6 1087 A D G <4 S+ 0 0 59 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.655 120.6 3.0 -77.1 -17.5 37.9 25.3 33.5 7 1088 A W T <4 S+ 0 0 14 -3,-2.3 26,-1.9 -4,-0.2 2,-0.6 0.482 116.3 77.1-140.9 -19.2 37.6 26.2 29.9 8 1089 A F B < +A 32 0A 7 -4,-2.9 24,-0.2 24,-0.2 -1,-0.2 -0.884 43.9 175.0-106.1 116.5 34.2 27.7 29.3 9 1090 A N > + 0 0 72 22,-3.8 3,-2.0 -2,-0.6 4,-0.2 -0.762 2.9 176.5-117.0 92.9 33.5 31.2 30.3 10 1091 A P G > S+ 0 0 17 0, 0.0 3,-1.3 0, 0.0 6,-0.2 0.635 76.1 72.0 -68.5 -8.9 30.0 32.1 29.1 11 1092 A F G 3 S+ 0 0 172 1,-0.3 20,-0.1 20,-0.1 -2,-0.0 0.632 81.8 70.0 -86.3 -9.3 30.4 35.5 30.7 12 1093 A K G < S+ 0 0 140 -3,-2.0 -1,-0.3 1,-0.3 3,-0.1 0.484 107.4 39.3 -77.6 -9.5 32.8 36.4 28.0 13 1094 A R X + 0 0 7 -3,-1.3 3,-0.8 -4,-0.2 -1,-0.3 -0.579 63.4 153.4-139.2 76.6 29.8 36.4 25.7 14 1095 A P T 3 + 0 0 105 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.937 66.0 73.9 -68.9 -45.6 26.7 37.9 27.5 15 1096 A E T 3 S+ 0 0 92 -3,-0.1 2,-0.3 2,-0.1 252,-0.1 0.643 101.6 41.8 -33.2 -32.6 25.1 39.1 24.3 16 1097 A V S < S- 0 0 15 -3,-0.8 2,-0.8 -6,-0.2 3,-0.1 -0.827 96.2 -80.4-133.7 168.5 24.1 35.4 23.4 17 1098 A V + 0 0 57 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.452 51.7 157.9 -67.0 103.4 22.8 32.1 24.5 18 1099 A T + 0 0 21 -2,-0.8 8,-2.6 1,-0.2 2,-0.4 0.666 63.0 40.0-103.6 -24.8 25.9 30.5 26.1 19 1100 A M B S-B 25 0B 73 6,-0.2 -1,-0.2 -3,-0.1 2,-0.1 -0.996 81.4-131.9-127.8 133.1 24.2 28.0 28.4 20 1101 A T > - 0 0 6 4,-2.4 3,-1.7 -2,-0.4 4,-0.3 -0.407 37.2 -96.7 -78.7 162.4 21.2 26.0 27.4 21 1102 A K T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.350 126.7 57.1 -57.6 9.5 18.2 25.7 29.6 22 1103 A W T 3 S- 0 0 55 2,-0.2 -1,-0.3 227,-0.0 -2,-0.1 -0.098 120.3-100.8-136.8 37.5 20.0 22.4 30.6 23 1104 A K S < S+ 0 0 180 -3,-1.7 -2,-0.1 1,-0.2 -4,-0.0 0.787 78.5 134.9 53.1 35.5 23.4 23.5 31.8 24 1105 A A - 0 0 6 -4,-0.3 -4,-2.4 224,-0.0 -2,-0.2 -0.960 56.6-111.9-118.6 135.0 25.1 22.6 28.5 25 1106 A P B -B 19 0B 8 0, 0.0 226,-2.3 0, 0.0 2,-0.5 -0.223 15.1-157.5 -64.8 146.0 27.6 25.0 26.9 26 1107 A V E -c 251 0C 0 -8,-2.6 2,-0.5 224,-0.2 226,-0.2 -0.985 28.3-134.8-117.5 112.5 26.9 26.7 23.6 27 1108 A V E +c 252 0C 0 224,-3.1 226,-2.2 -2,-0.5 2,-0.2 -0.596 33.6 166.8 -81.2 117.3 30.4 27.5 22.3 28 1109 A W >> - 0 0 0 -2,-0.5 3,-1.3 224,-0.1 4,-0.6 -0.701 47.8 -72.8-118.0 171.0 30.9 31.0 20.9 29 1110 A E T 34 S+ 0 0 43 1,-0.2 -1,-0.1 -2,-0.2 240,-0.0 -0.442 119.4 16.3 -67.1 137.0 34.0 32.9 20.1 30 1111 A G T 34 S+ 0 0 37 2,-0.2 -1,-0.2 -2,-0.1 -21,-0.1 0.095 104.0 88.8 89.9 -24.3 35.8 34.1 23.2 31 1112 A T T <4 S+ 0 0 2 -3,-1.3 -22,-3.8 -23,-0.1 2,-0.4 0.722 77.5 71.7 -77.6 -21.3 34.0 31.7 25.6 32 1113 A Y B < -A 8 0A 24 -4,-0.6 2,-0.9 -24,-0.2 -24,-0.2 -0.772 63.7-150.4-106.1 140.8 36.5 28.9 25.2 33 1114 A N >> + 0 0 71 -26,-1.9 4,-2.3 -2,-0.4 3,-0.6 -0.744 21.9 174.3-100.0 84.1 40.0 28.4 26.3 34 1115 A R H 3> S+ 0 0 48 -2,-0.9 4,-3.9 1,-0.3 5,-0.2 0.802 75.9 60.9 -64.2 -26.2 41.2 26.1 23.6 35 1116 A A H 3> S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.910 106.0 45.2 -67.9 -40.8 44.7 26.3 25.0 36 1117 A V H <> S+ 0 0 50 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.968 117.7 45.0 -64.3 -50.7 43.6 24.8 28.2 37 1118 A L H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.4 0.902 108.4 55.4 -58.3 -49.2 41.6 22.2 26.3 38 1119 A D H X S+ 0 0 46 -4,-3.9 4,-2.8 1,-0.2 5,-0.3 0.953 111.3 45.1 -53.0 -52.2 44.3 21.4 23.8 39 1120 A N H X S+ 0 0 86 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.956 115.9 48.2 -53.3 -51.6 46.6 20.6 26.6 40 1121 A Y H X S+ 0 0 56 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.862 116.0 40.0 -59.5 -47.9 43.9 18.6 28.4 41 1122 A Y H X>S+ 0 0 19 -4,-3.4 5,-1.3 2,-0.2 4,-1.0 0.872 111.2 58.3 -70.1 -37.5 42.8 16.5 25.4 42 1123 A A H ><5S+ 0 0 50 -4,-2.8 3,-0.7 -5,-0.4 -2,-0.2 0.901 102.6 54.5 -61.0 -39.1 46.4 16.0 24.1 43 1124 A K H 3<5S+ 0 0 161 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.917 106.3 50.9 -57.8 -43.6 47.1 14.5 27.5 44 1125 A Q H 3<5S- 0 0 97 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.608 108.6-134.5 -71.0 -10.7 44.2 12.0 26.8 45 1126 A K T <<5 - 0 0 92 -4,-1.0 -3,-0.2 -3,-0.7 2,-0.2 0.908 39.0-179.0 64.9 40.9 45.9 11.4 23.5 46 1127 A I < - 0 0 4 -5,-1.3 2,-0.5 91,-0.1 -1,-0.2 -0.484 22.2-152.2 -82.1 146.2 42.6 11.7 21.7 47 1128 A T - 0 0 24 -2,-0.2 91,-2.8 31,-0.1 92,-1.1 -0.979 8.4-157.5-111.2 124.0 42.1 11.3 17.9 48 1129 A V E -de 80 139C 0 31,-2.5 33,-1.4 -2,-0.5 2,-0.3 -0.794 9.7-168.5 -97.5 148.6 39.2 13.2 16.4 49 1130 A G E -de 81 140C 0 90,-2.3 92,-1.6 -2,-0.3 2,-0.3 -0.890 4.0-158.3-131.3 163.0 37.8 11.9 13.1 50 1131 A L E -de 82 141C 0 31,-1.8 33,-3.5 -2,-0.3 2,-0.6 -0.994 8.3-142.3-152.7 132.6 35.4 13.5 10.7 51 1132 A T E +de 83 142C 1 90,-2.9 92,-1.1 -2,-0.3 2,-0.4 -0.891 19.9 176.3-112.2 113.4 33.1 12.0 8.1 52 1133 A V E -d 84 0C 0 31,-2.9 33,-3.5 -2,-0.6 2,-0.4 -0.925 9.3-163.8-117.9 135.6 32.5 13.8 4.8 53 1134 A F E +d 85 0C 14 90,-0.5 92,-0.4 -2,-0.4 2,-0.3 -0.921 11.8 170.4-111.3 143.1 30.5 12.4 2.0 54 1135 A A E -d 86 0C 3 31,-2.3 33,-0.9 -2,-0.4 2,-0.4 -0.908 9.8-169.0-149.7 129.3 30.6 13.7 -1.6 55 1136 A V > - 0 0 13 -2,-0.3 3,-1.8 31,-0.2 4,-0.1 -0.926 50.4 -42.3-120.1 140.7 28.9 11.9 -4.5 56 1137 A G T >> S+ 0 0 20 -2,-0.4 3,-2.2 1,-0.3 4,-0.6 -0.059 130.1 12.2 47.1-129.1 29.3 12.7 -8.2 57 1138 A R H 3> S+ 0 0 198 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.786 120.3 70.9 -49.9 -30.8 29.3 16.4 -9.2 58 1139 A Y H <>>S+ 0 0 115 -3,-1.8 4,-1.9 1,-0.2 5,-1.1 0.731 91.7 57.9 -60.8 -29.2 29.7 17.3 -5.4 59 1140 A I H <4>S+ 0 0 2 -3,-2.2 5,-0.8 3,-0.2 4,-0.4 0.973 107.4 42.3 -62.0 -59.3 33.3 16.0 -5.4 60 1141 A E H <5S+ 0 0 111 -4,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.683 120.6 47.0 -68.1 -17.9 34.8 18.2 -8.1 61 1142 A H H <5S- 0 0 130 -4,-1.1 -1,-0.2 3,-0.1 -2,-0.2 0.838 134.3 -8.1 -88.3 -38.6 32.8 21.1 -6.6 62 1143 A Y T X5S+ 0 0 38 -4,-1.9 4,-2.6 -5,-0.2 5,-0.3 0.728 100.9 86.8-133.2 -43.1 33.5 20.9 -2.9 63 1144 A L H > S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 84,-0.3 0.824 115.4 53.3 -42.1 -37.7 38.2 22.9 -0.6 66 1147 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 83,-0.3 0.950 112.7 40.4 -65.1 -53.4 36.5 21.2 2.3 67 1148 A L H X S+ 0 0 7 -4,-2.2 4,-4.3 -3,-0.4 5,-0.4 0.996 113.7 53.2 -57.6 -66.0 39.4 18.9 3.0 68 1149 A T H X S+ 0 0 67 -4,-2.0 4,-1.9 1,-0.3 -2,-0.2 0.861 115.7 41.9 -27.6 -59.3 42.0 21.5 2.4 69 1150 A S H X S+ 0 0 12 -4,-2.3 4,-2.1 -5,-0.3 5,-0.3 0.872 116.4 47.2 -66.7 -40.5 40.2 23.7 4.9 70 1151 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 -3,-0.3 3,-0.3 0.969 109.8 54.5 -61.9 -49.8 39.6 20.9 7.4 71 1152 A N H < S+ 0 0 28 -4,-4.3 -2,-0.2 1,-0.3 -1,-0.2 0.871 115.8 39.3 -52.3 -39.5 43.2 19.9 7.0 72 1153 A K H < S+ 0 0 140 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.2 0.780 133.7 16.8 -78.3 -31.1 44.2 23.4 7.9 73 1154 A H H >< S+ 0 0 20 -4,-2.1 80,-2.4 -3,-0.3 3,-0.8 0.671 88.3 103.5-122.8 -26.9 41.7 24.2 10.7 74 1155 A F B 3< S-r 153 0D 0 -4,-2.6 80,-0.2 -5,-0.3 78,-0.1 -0.574 106.7 -28.7 -74.5 119.1 39.9 21.1 12.1 75 1156 A M T > S- 0 0 0 78,-2.8 3,-1.2 -2,-0.5 -1,-0.2 0.830 81.7-151.8 42.6 51.3 41.3 20.1 15.5 76 1157 A V T < S+ 0 0 60 -3,-0.8 79,-0.2 1,-0.3 -1,-0.1 -0.168 74.3 23.2 -54.2 136.1 44.7 21.5 14.9 77 1158 A G T 3 S+ 0 0 43 22,-0.3 -1,-0.3 1,-0.2 23,-0.1 0.753 105.4 90.6 75.9 24.9 47.4 19.7 16.9 78 1159 A H S < S- 0 0 5 -3,-1.2 -1,-0.2 21,-0.2 -31,-0.1 -0.990 89.3 -91.2-139.0 152.6 45.5 16.4 17.4 79 1160 A P - 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0 0 66 -17,-1.2 -127,-0.5 -2,-0.3 -1,-0.3 0.570 43.9 -90.0 -75.5-135.3 59.9 -10.3 -1.7 554 2357 B Q 0 0 45 -129,-0.1 -1,-0.2 -130,-0.1 -130,-0.0 -0.761 360.0 360.0-142.9-176.8 58.6 -10.4 -5.3 555 2358 B T 0 0 147 -2,-0.2 -1,-0.0 0, 0.0 -131,-0.0 -0.142 360.0 360.0 -49.0 360.0 58.3 -11.9 -8.8