==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAR-07 2P2V . COMPND 2 MOLECULE: ALPHA-2,3-SIALYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR C.P.CHIU,L.L.LAIRSON,M.GILBERT,W.W.WAKARCHUK,S.G.WITHERS, . 275 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 0 0.0 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 . 25 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 0 1 0 0 0 1 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 5 A R 0 0 135 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 109.1 26.5 -8.1 5.9 2 6 A M - 0 0 26 1,-0.1 2,-0.3 85,-0.0 84,-0.2 -0.509 360.0 -92.4 -84.1 166.8 25.2 -4.4 5.8 3 7 A E - 0 0 50 82,-3.0 3,-0.1 -2,-0.2 -1,-0.1 -0.649 26.1-138.3 -72.1 140.3 23.7 -2.7 8.9 4 8 A N S S+ 0 0 177 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.833 88.0 5.5 -65.3 -34.6 19.9 -3.0 9.0 5 9 A E S S- 0 0 142 2,-0.0 2,-0.9 -3,-0.0 -1,-0.3 -0.987 73.7-123.6-149.9 142.8 19.6 0.6 10.1 6 10 A L - 0 0 13 -2,-0.3 2,-0.5 -3,-0.1 80,-0.0 -0.823 36.3-176.1 -90.0 105.7 22.2 3.4 10.4 7 11 A I - 0 0 119 -2,-0.9 2,-0.5 148,-0.0 148,-0.1 -0.916 13.3-156.3-110.4 119.5 21.8 4.6 14.0 8 12 A V - 0 0 28 146,-0.6 2,-0.3 -2,-0.5 5,-0.1 -0.839 14.0-146.1 -90.5 124.5 23.8 7.6 15.3 9 13 A S > - 0 0 64 -2,-0.5 3,-1.9 3,-0.4 -2,-0.0 -0.704 22.3-116.4 -86.8 150.5 24.3 7.6 19.1 10 14 A K T 3 S+ 0 0 167 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.734 111.1 65.2 -51.2 -25.0 24.5 10.8 21.1 11 15 A N T 3 S+ 0 0 145 1,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.576 109.6 31.8 -81.7 -11.5 28.1 10.0 22.1 12 16 A M < + 0 0 35 -3,-1.9 -3,-0.4 1,-0.1 -1,-0.3 -0.800 60.0 151.2-149.2 101.4 29.5 10.2 18.5 13 17 A Q + 0 0 53 -2,-0.3 144,-2.3 -3,-0.2 145,-2.2 -0.003 37.2 117.4-121.4 27.4 27.9 12.7 16.2 14 18 A N E -a 158 0A 35 143,-0.2 23,-1.7 142,-0.2 2,-0.4 -0.830 37.5-178.2-102.9 136.1 30.8 13.5 13.9 15 19 A I E -ab 159 37A 0 143,-2.6 145,-2.4 -2,-0.4 2,-0.5 -0.990 18.5-152.7-136.5 136.1 30.8 12.8 10.2 16 20 A I E -ab 160 38A 0 21,-2.6 23,-2.6 -2,-0.4 2,-0.5 -0.949 16.4-166.0-104.2 131.9 33.5 13.2 7.6 17 21 A I E -ab 161 39A 0 143,-2.2 145,-1.9 -2,-0.5 2,-0.5 -0.984 5.7-164.2-124.3 114.6 31.9 13.7 4.1 18 22 A A E -ab 162 40A 0 21,-2.2 23,-0.5 -2,-0.5 145,-0.3 -0.909 11.0-168.0-113.3 124.9 34.2 13.3 1.2 19 23 A G - 0 0 7 143,-3.0 145,-0.2 -2,-0.5 22,-0.0 -0.229 36.1-113.2 -79.3-174.6 33.7 14.4 -2.4 20 24 A N + 0 0 18 143,-0.2 144,-0.1 -2,-0.1 155,-0.1 0.070 68.8 129.7-116.2 25.2 36.1 13.2 -5.0 21 25 A G S > S- 0 0 9 142,-2.6 3,-2.1 152,-0.2 4,-0.3 -0.160 77.7 -92.4 -69.0 170.8 37.7 16.5 -5.9 22 26 A P G > S+ 0 0 24 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.820 118.9 71.8 -58.3 -30.5 41.5 17.1 -6.0 23 27 A S G > S+ 0 0 5 1,-0.3 3,-0.9 2,-0.2 140,-0.1 0.558 73.9 82.0 -68.9 -6.4 41.5 18.3 -2.4 24 28 A L G X S+ 0 0 0 -3,-2.1 3,-0.6 1,-0.2 -1,-0.3 0.849 92.6 51.9 -60.2 -30.9 40.9 14.7 -1.3 25 29 A K G < S+ 0 0 95 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.617 108.5 52.8 -76.6 -14.7 44.7 14.5 -1.8 26 30 A N G < S+ 0 0 95 -3,-0.9 196,-0.4 -4,-0.2 197,-0.3 -0.213 70.6 148.1-122.2 40.2 45.3 17.6 0.4 27 31 A I < - 0 0 13 -3,-0.6 2,-1.1 194,-0.2 194,-0.2 -0.552 47.6-133.2 -70.8 138.6 43.4 16.8 3.7 28 32 A N > - 0 0 16 192,-2.2 3,-2.0 -2,-0.2 4,-0.3 -0.808 20.7-168.2 -92.5 96.6 45.0 18.4 6.8 29 33 A Y G > S+ 0 0 37 -2,-1.1 3,-1.0 1,-0.3 -1,-0.2 0.719 78.8 71.4 -66.0 -16.8 44.8 15.3 9.0 30 34 A K G 3 S+ 0 0 85 1,-0.2 208,-1.8 207,-0.1 206,-1.7 0.771 94.8 56.0 -65.3 -23.6 45.7 17.4 12.0 31 35 A R G < S+ 0 0 36 -3,-2.0 -1,-0.2 204,-0.2 -2,-0.2 0.481 79.9 108.7 -87.1 -10.7 42.1 18.9 11.8 32 36 A L S < S- 0 0 2 -3,-1.0 204,-0.2 -4,-0.3 206,-0.1 -0.448 73.7-116.1 -63.8 143.3 40.1 15.6 11.9 33 37 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.314 26.5-105.8 -70.8 168.8 38.3 15.1 15.2 34 38 A R S S+ 0 0 187 1,-0.1 2,-0.4 -2,-0.0 -2,-0.1 0.843 103.8 30.3 -60.4 -40.7 39.2 12.1 17.5 35 39 A E S S+ 0 0 101 2,-0.0 2,-0.3 -20,-0.0 -1,-0.1 -0.957 74.0 136.1-127.5 143.4 36.1 10.2 16.6 36 40 A Y - 0 0 61 -2,-0.4 2,-0.3 -24,-0.1 -21,-0.2 -0.956 40.3-129.0-174.0 157.0 34.1 10.1 13.4 37 41 A D E -b 15 0A 43 -23,-1.7 -21,-2.6 -2,-0.3 2,-0.4 -0.737 31.5-134.7-104.7 164.9 32.3 8.0 10.7 38 42 A V E -b 16 0A 5 -2,-0.3 19,-2.1 -23,-0.2 20,-1.3 -0.973 12.6-162.2-127.6 139.1 33.1 8.6 7.0 39 43 A F E +bc 17 58A 0 -23,-2.6 -21,-2.2 -2,-0.4 2,-0.3 -0.953 14.1 179.5-115.2 136.1 30.7 8.9 4.0 40 44 A R E -bc 18 59A 1 18,-1.8 20,-1.6 -2,-0.4 2,-0.3 -0.916 7.0-158.6-129.7 163.4 32.0 8.5 0.5 41 45 A C E > - c 0 60A 5 -23,-0.5 3,-0.7 -2,-0.3 20,-0.2 -0.928 42.8 -21.5-138.7 161.4 30.3 8.6 -2.9 42 46 A N T 3 S+ 0 0 27 18,-2.7 2,-1.0 -2,-0.3 3,-0.4 -0.041 123.6 4.6 51.3-132.0 30.5 7.6 -6.5 43 47 A Q T > S+ 0 0 21 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 -0.179 81.8 134.1 -84.9 47.8 34.0 6.7 -7.7 44 48 A F G X + 0 0 0 -2,-1.0 3,-2.0 -3,-0.7 -1,-0.2 0.838 64.6 65.0 -61.4 -33.8 35.7 7.1 -4.3 45 49 A Y G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.541 78.7 81.9 -73.4 -8.0 37.6 3.8 -4.9 46 50 A F G < + 0 0 15 -3,-1.6 -1,-0.3 129,-0.0 -2,-0.2 0.698 69.0 115.9 -62.0 -20.8 39.4 5.3 -7.8 47 51 A E < - 0 0 3 -3,-2.0 128,-0.1 -4,-0.2 3,-0.0 -0.223 63.5-147.7 -54.5 137.6 41.7 6.8 -5.0 48 52 A D S S+ 0 0 71 126,-0.2 197,-1.7 196,-0.0 2,-0.3 0.619 81.9 30.5 -85.7 -15.6 45.3 5.5 -5.1 49 53 A K B S-H 244 0B 61 195,-0.2 2,-2.3 4,-0.0 195,-0.2 -0.948 94.9 -98.9-136.0 162.3 45.7 5.7 -1.4 50 54 A Y > + 0 0 12 193,-3.0 3,-1.7 -2,-0.3 193,-0.5 -0.458 46.3 173.9 -79.1 73.8 43.3 5.3 1.5 51 55 A Y T 3 S+ 0 0 10 -2,-2.3 -1,-0.2 1,-0.3 3,-0.1 0.707 83.0 21.8 -57.3 -25.0 42.9 9.0 2.0 52 56 A L T 3 S- 0 0 6 1,-0.5 -1,-0.3 -3,-0.2 3,-0.2 0.115 118.9-104.0-128.3 22.9 40.2 8.5 4.7 53 57 A G < - 0 0 21 -3,-1.7 -1,-0.5 1,-0.2 -2,-0.1 -0.304 40.1 -73.4 85.3-172.1 41.0 4.9 5.8 54 58 A K S S+ 0 0 79 -3,-0.1 29,-2.7 28,-0.1 2,-0.8 0.568 100.5 89.3-101.6 -17.1 39.3 1.6 5.0 55 59 A K E -i 83 0C 146 -3,-0.2 2,-0.5 27,-0.2 29,-0.2 -0.809 52.2-177.9 -95.2 105.6 36.2 1.9 7.1 56 60 A I E -i 84 0C 3 27,-3.4 29,-2.3 -2,-0.8 30,-0.3 -0.921 17.0-162.0-101.9 123.5 33.2 3.6 5.3 57 61 A K S S- 0 0 28 -19,-2.1 2,-0.3 -2,-0.5 29,-0.2 0.920 77.8 -5.8 -70.5 -43.2 30.0 4.1 7.3 58 62 A A E -c 39 0A 0 -20,-1.3 -18,-1.8 27,-0.2 2,-0.3 -0.983 60.4-153.8-148.5 147.4 27.9 4.6 4.1 59 63 A V E -cd 40 87A 0 27,-2.1 29,-3.1 -2,-0.3 2,-0.4 -0.865 13.6-149.9-114.0 158.7 28.6 4.9 0.5 60 64 A F E +cd 41 88A 0 -20,-1.6 -18,-2.7 -2,-0.3 2,-0.3 -0.988 14.9 179.4-135.2 130.3 26.3 6.8 -1.9 61 65 A F E - d 0 89A 0 27,-2.3 29,-2.4 -2,-0.4 5,-0.1 -0.949 28.7-111.9-133.9 150.5 25.7 6.1 -5.6 62 66 A N > - 0 0 65 -2,-0.3 3,-1.2 27,-0.2 4,-0.3 -0.430 27.2-121.1 -82.7 149.7 23.5 7.6 -8.3 63 67 A P G > S+ 0 0 18 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.826 105.6 65.3 -61.2 -34.1 20.6 5.6 -9.7 64 68 A G G 3 S+ 0 0 30 1,-0.3 209,-0.0 2,-0.1 3,-0.0 0.698 118.7 22.7 -67.9 -21.3 21.9 5.7 -13.3 65 69 A V G <> S+ 0 0 24 -3,-1.2 4,-2.6 2,-0.1 -1,-0.3 0.122 89.3 115.2-125.4 18.6 24.9 3.5 -12.5 66 70 A F H <> S+ 0 0 0 -3,-1.0 4,-3.0 -4,-0.3 5,-0.3 0.887 71.5 57.8 -61.1 -41.0 23.6 1.9 -9.3 67 71 A L H > S+ 0 0 19 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.937 113.6 38.0 -53.6 -50.7 23.6 -1.6 -10.8 68 72 A Q H > S+ 0 0 12 -3,-0.3 4,-2.7 1,-0.2 186,-0.3 0.909 117.3 50.6 -67.5 -39.3 27.4 -1.5 -11.6 69 73 A Q H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.870 107.0 53.9 -70.3 -37.0 28.3 0.4 -8.4 70 74 A Y H X S+ 0 0 33 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.950 112.2 44.5 -57.7 -48.5 26.4 -2.0 -6.1 71 75 A H H X S+ 0 0 62 -4,-1.5 4,-2.4 -5,-0.3 -2,-0.2 0.922 112.7 52.1 -61.7 -41.1 28.3 -4.9 -7.7 72 76 A T H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.948 109.9 49.1 -63.1 -47.8 31.6 -2.8 -7.3 73 77 A A H X S+ 0 0 0 -4,-3.3 4,-1.9 2,-0.2 -1,-0.2 0.868 109.2 51.5 -58.5 -41.2 30.9 -2.2 -3.7 74 78 A K H X S+ 0 0 53 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.900 112.4 47.5 -62.8 -38.0 30.2 -5.9 -3.0 75 79 A Q H X S+ 0 0 62 -4,-2.4 4,-2.2 2,-0.2 6,-0.3 0.865 108.0 53.7 -70.8 -37.2 33.5 -6.7 -4.7 76 80 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-1.3 0.896 114.7 44.2 -57.7 -40.2 35.4 -4.0 -2.6 77 81 A I H ><5S+ 0 0 45 -4,-1.9 3,-1.6 3,-0.2 -2,-0.2 0.950 114.0 46.4 -73.0 -54.2 33.9 -5.7 0.4 78 82 A L H 3<5S+ 0 0 122 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.782 113.2 50.5 -53.6 -35.5 34.6 -9.3 -0.6 79 83 A K T 3<5S- 0 0 89 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.303 112.4-121.6 -88.1 7.6 38.2 -8.4 -1.7 80 84 A N T < 5S+ 0 0 123 -3,-1.6 -3,-0.2 2,-0.2 3,-0.1 0.755 75.4 128.6 54.2 30.5 38.7 -6.7 1.7 81 85 A E S > - 0 0 11 1,-0.0 4,-2.6 5,-0.0 3,-2.0 -0.998 54.7-137.4-130.8 129.2 10.9 12.6 -8.7 95 99 A P T 34 S+ 0 0 80 0, 0.0 5,-0.2 0, 0.0 181,-0.1 0.563 101.6 57.7 -73.4 -10.1 9.7 10.7 -11.8 96 100 A F T 34 S+ 0 0 99 3,-0.1 3,-0.1 180,-0.1 -3,-0.0 0.343 116.9 35.8 -91.0 -0.5 11.8 12.7 -14.2 97 101 A I T <4 S+ 0 0 30 -3,-2.0 2,-0.5 1,-0.4 -1,-0.1 0.689 128.2 26.1-113.0 -47.2 14.9 11.7 -12.3 98 102 A E S < S- 0 0 3 -4,-2.6 -1,-0.4 -35,-0.0 -7,-0.0 -0.982 86.0-124.7-120.8 125.8 14.1 8.1 -11.2 99 103 A S > - 0 0 9 -2,-0.5 4,-2.3 -3,-0.1 5,-0.2 -0.312 20.3-115.9 -69.2 155.8 11.7 6.1 -13.2 100 104 A N H > S+ 0 0 123 1,-0.2 4,-2.6 -5,-0.2 5,-0.2 0.913 118.0 49.0 -52.7 -44.9 8.7 4.5 -11.5 101 105 A D H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 107.0 54.3 -66.7 -39.8 10.0 1.0 -12.3 102 106 A F H > S+ 0 0 14 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.951 115.6 39.2 -56.2 -50.8 13.5 1.8 -10.9 103 107 A L H < S+ 0 0 25 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.905 115.9 51.8 -69.2 -39.7 12.0 2.9 -7.5 104 108 A H H < S+ 0 0 141 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.850 119.4 34.4 -60.8 -40.5 9.4 0.2 -7.5 105 109 A Q H X S+ 0 0 37 -4,-2.1 4,-1.7 -5,-0.2 3,-0.5 0.446 88.7 104.4 -99.4 -2.5 11.9 -2.6 -8.1 106 110 A F H X S+ 0 0 1 -4,-0.9 4,-2.6 -3,-0.3 3,-0.4 0.897 85.8 38.2 -47.8 -59.7 14.8 -1.1 -6.1 107 111 A Y H 4 S+ 0 0 74 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.750 108.9 64.7 -69.1 -19.3 14.6 -3.3 -3.1 108 112 A N H 4 S+ 0 0 118 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.908 116.1 29.0 -63.8 -45.7 13.7 -6.3 -5.2 109 113 A F H < S+ 0 0 66 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.790 134.4 31.0 -78.3 -35.1 17.2 -6.1 -6.8 110 114 A F >< + 0 0 6 -4,-2.6 3,-1.8 -5,-0.3 -1,-0.2 -0.632 67.2 169.5-130.8 68.2 19.1 -4.5 -4.0 111 115 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.682 79.7 43.3 -62.6 -25.5 17.5 -5.8 -0.7 112 116 A D T 3 S+ 0 0 54 2,-0.1 -25,-0.5 -26,-0.0 2,-0.1 0.300 97.7 90.1-102.4 3.3 20.2 -4.5 1.6 113 117 A A < - 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