==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAR-07 2P56 . 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, . 257 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 0 1 0 0 0 1 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 1 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 0 178 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.8 29.6 64.9 38.0 2 6 A M - 0 0 23 1,-0.1 84,-0.1 2,-0.0 83,-0.1 -0.629 360.0 -68.5-105.8 169.2 30.3 61.2 37.8 3 7 A E - 0 0 47 82,-1.6 3,-0.2 -2,-0.2 -1,-0.1 -0.231 25.0-155.2 -60.5 137.0 32.5 58.9 39.9 4 8 A N S S+ 0 0 178 1,-0.3 2,-0.3 82,-0.1 -1,-0.1 0.919 88.5 6.1 -73.2 -47.2 36.4 59.2 39.9 5 9 A E S S- 0 0 141 2,-0.0 2,-1.0 81,-0.0 -1,-0.3 -0.990 77.0-125.0-137.6 142.6 36.7 55.6 41.0 6 10 A L - 0 0 10 -2,-0.3 2,-0.5 -3,-0.2 80,-0.0 -0.787 34.2-172.7 -92.3 101.2 34.0 53.0 41.5 7 11 A I - 0 0 102 -2,-1.0 2,-0.6 148,-0.0 148,-0.1 -0.841 12.8-152.1-101.8 128.7 34.4 51.7 45.0 8 12 A V - 0 0 26 146,-0.6 2,-0.3 -2,-0.5 5,-0.1 -0.861 12.3-144.0 -99.7 121.8 32.4 48.8 46.4 9 13 A S > - 0 0 57 -2,-0.6 3,-2.0 3,-0.3 146,-0.0 -0.624 19.3-124.4 -83.3 143.0 31.7 48.8 50.2 10 14 A K T 3 S+ 0 0 179 1,-0.3 3,-0.3 -2,-0.3 -1,-0.1 0.586 109.8 65.9 -62.3 -8.2 31.7 45.4 51.9 11 15 A N T 3 S+ 0 0 152 1,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.670 110.2 32.3 -86.4 -20.0 28.2 46.3 53.1 12 16 A M < + 0 0 38 -3,-2.0 -3,-0.3 1,-0.1 -1,-0.3 -0.809 61.7 149.4-141.6 96.0 26.8 46.2 49.6 13 17 A Q + 0 0 55 -2,-0.3 145,-2.0 -3,-0.3 144,-1.7 -0.020 36.7 117.7-116.9 27.3 28.4 43.7 47.3 14 18 A N E -a 158 0A 36 142,-0.2 23,-1.7 143,-0.2 2,-0.4 -0.815 37.9-180.0 -98.4 133.9 25.3 42.9 45.1 15 19 A I E -ab 159 37A 0 143,-2.0 145,-2.0 -2,-0.4 2,-0.6 -0.999 20.3-149.5-137.1 137.2 25.4 43.8 41.4 16 20 A I E -ab 160 38A 0 21,-3.0 23,-2.9 -2,-0.4 2,-0.5 -0.932 16.7-167.4-105.4 118.8 22.8 43.3 38.7 17 21 A I E -ab 161 39A 0 143,-2.3 145,-1.5 -2,-0.6 2,-0.4 -0.935 8.5-173.3-111.4 121.2 24.3 42.7 35.3 18 22 A A E -a 162 0A 0 21,-1.8 23,-0.4 -2,-0.5 145,-0.3 -0.934 14.8-166.5-123.0 137.4 22.1 42.9 32.3 19 23 A G - 0 0 7 143,-2.5 145,-0.2 -2,-0.4 22,-0.1 -0.209 37.6-109.3 -94.7-166.1 22.5 42.2 28.6 20 24 A N S S+ 0 0 47 143,-0.3 144,-0.1 -2,-0.1 143,-0.1 0.131 71.6 128.0-115.6 21.0 19.9 43.4 26.0 21 25 A G S > S- 0 0 17 142,-2.7 3,-2.0 141,-0.1 4,-0.2 -0.194 78.2 -93.6 -70.6 168.4 18.5 40.0 25.2 22 26 A P G > S+ 0 0 93 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.843 118.7 71.0 -49.0 -43.8 14.7 39.2 25.3 23 27 A S G > S+ 0 0 4 1,-0.3 3,-0.6 2,-0.2 141,-0.1 0.575 76.7 83.8 -55.0 -9.8 14.9 38.0 28.9 24 28 A L G < S+ 0 0 9 -3,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.831 94.3 43.4 -63.3 -32.1 15.4 41.6 29.9 25 29 A K G < S+ 0 0 118 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.524 108.7 61.0 -90.0 -7.6 11.7 42.1 29.8 26 30 A N S < S+ 0 0 105 -3,-0.6 182,-0.3 -4,-0.4 183,-0.3 -0.229 71.4 145.1-111.5 40.1 11.1 38.7 31.6 27 31 A I - 0 0 12 -3,-0.5 2,-1.2 180,-0.1 180,-0.2 -0.594 50.8-133.4 -78.5 139.9 12.9 39.5 34.8 28 32 A N > - 0 0 23 178,-2.1 3,-2.3 -2,-0.3 4,-0.4 -0.771 20.6-168.3 -94.0 92.0 11.4 37.9 37.9 29 33 A Y G > S+ 0 0 42 -2,-1.2 3,-0.7 1,-0.3 -1,-0.2 0.660 79.7 69.2 -57.0 -17.7 11.5 41.0 40.1 30 34 A K G 3 S+ 0 0 86 1,-0.2 194,-1.6 193,-0.1 192,-1.6 0.772 95.3 56.6 -72.1 -23.7 10.7 39.0 43.2 31 35 A R G < S+ 0 0 35 -3,-2.3 -1,-0.2 190,-0.2 -2,-0.2 0.580 81.4 107.0 -83.9 -12.4 14.2 37.4 42.9 32 36 A L S < S- 0 0 0 -3,-0.7 190,-0.2 -4,-0.4 192,-0.1 -0.337 75.4-113.9 -66.7 149.3 16.1 40.6 43.0 33 37 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.397 23.7-115.4 -77.6 164.8 18.0 41.4 46.3 34 38 A R S S+ 0 0 179 1,-0.1 2,-0.4 -2,-0.1 -2,-0.1 0.794 101.6 40.7 -71.4 -27.5 16.8 44.3 48.4 35 39 A E S S+ 0 0 101 2,-0.0 2,-0.3 -20,-0.0 -1,-0.1 -0.962 75.9 126.9-123.8 140.2 20.1 46.1 47.8 36 40 A Y - 0 0 61 -2,-0.4 2,-0.3 -4,-0.1 -21,-0.2 -0.942 43.7-126.6 179.2 159.5 22.2 46.3 44.6 37 41 A D E -b 15 0A 40 -23,-1.7 -21,-3.0 -2,-0.3 2,-0.4 -0.754 31.6-132.4-109.7 160.8 24.0 48.4 41.9 38 42 A V E -b 16 0A 5 -2,-0.3 19,-1.9 -23,-0.2 20,-1.4 -0.950 12.3-162.9-123.2 139.4 23.2 47.9 38.2 39 43 A F E -bc 17 58A 0 -23,-2.9 -21,-1.8 -2,-0.4 2,-0.3 -0.970 14.0-177.5-116.9 129.9 25.5 47.5 35.2 40 44 A R E - c 0 59A 1 18,-2.2 20,-1.3 -2,-0.4 2,-0.3 -0.877 6.1-158.4-123.3 159.2 24.1 48.1 31.7 41 45 A C E > - c 0 60A 3 -23,-0.4 3,-0.7 -2,-0.3 20,-0.2 -0.949 41.3 -26.8-140.2 159.3 25.8 47.8 28.3 42 46 A N T 3 S+ 0 0 22 18,-2.9 2,-0.8 -2,-0.3 3,-0.4 -0.051 123.4 5.0 45.8-124.5 25.7 48.8 24.7 43 47 A Q T > S+ 0 0 71 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 -0.122 82.1 135.0 -85.0 42.3 22.2 49.8 23.4 44 48 A F G X + 0 0 0 -2,-0.8 3,-1.9 -3,-0.7 -1,-0.2 0.827 63.8 65.4 -58.7 -33.9 20.5 49.5 26.8 45 49 A Y G 3 S+ 0 0 0 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.638 80.1 80.3 -65.4 -14.4 18.6 52.8 26.3 46 50 A F G < + 0 0 50 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.698 69.7 116.0 -63.8 -17.4 16.7 51.2 23.4 47 51 A E < - 0 0 12 -3,-1.9 -3,-0.0 -4,-0.2 -27,-0.0 -0.269 63.7-147.4 -57.4 135.4 14.6 49.6 26.1 48 52 A D S S+ 0 0 73 182,-0.1 183,-2.4 183,-0.0 2,-0.3 0.608 81.7 31.4 -79.9 -13.6 10.9 50.8 26.1 49 53 A K B S-H 230 0B 59 181,-0.3 2,-2.0 4,-0.0 181,-0.2 -0.953 90.9-103.4-140.2 159.5 10.6 50.6 29.9 50 54 A Y > + 0 0 17 179,-3.5 3,-2.7 -2,-0.3 179,-0.4 -0.410 45.4 171.5 -82.2 63.7 13.0 51.0 32.8 51 55 A Y T 3 S+ 0 0 10 -2,-2.0 -1,-0.2 1,-0.3 3,-0.1 0.640 83.6 22.2 -48.5 -19.4 13.3 47.3 33.4 52 56 A L T 3 S- 0 0 7 1,-0.4 -1,-0.3 -3,-0.1 3,-0.2 0.035 119.1-104.2-137.9 25.4 16.0 48.0 35.9 53 57 A G < - 0 0 22 -3,-2.7 -1,-0.4 1,-0.2 -2,-0.1 -0.160 38.1 -75.3 81.2-175.9 15.2 51.5 36.9 54 58 A K S S+ 0 0 93 28,-0.1 29,-2.9 -3,-0.1 2,-0.8 0.601 100.3 88.1 -99.1 -15.9 16.9 54.8 36.0 55 59 A K E -i 83 0C 151 27,-0.2 2,-0.5 -3,-0.2 -17,-0.2 -0.779 52.9-178.5 -94.7 109.2 20.1 54.6 38.2 56 60 A I E -i 84 0C 3 27,-3.3 29,-2.0 -2,-0.8 30,-0.3 -0.907 19.1-160.5-107.7 127.1 22.9 52.8 36.5 57 61 A K S S- 0 0 24 -19,-1.9 2,-0.3 -2,-0.5 -18,-0.2 0.878 79.2 -4.3 -72.2 -38.4 26.2 52.4 38.4 58 62 A A E -c 39 0A 0 -20,-1.4 -18,-2.2 27,-0.2 2,-0.3 -0.981 59.3-154.7-157.2 144.7 28.2 51.8 35.2 59 63 A V E -cd 40 87A 0 27,-1.9 29,-3.0 -2,-0.3 2,-0.4 -0.856 14.9-148.3-115.7 153.8 27.5 51.5 31.5 60 64 A F E -cd 41 88A 0 -20,-1.3 -18,-2.9 -2,-0.3 2,-0.3 -0.989 15.1-179.5-130.3 130.6 29.8 49.6 29.1 61 65 A F E - d 0 89A 0 27,-2.2 29,-2.3 -2,-0.4 5,-0.1 -0.960 27.4-115.9-131.0 148.6 30.5 50.3 25.5 62 66 A N > - 0 0 68 -2,-0.3 3,-1.1 27,-0.2 4,-0.2 -0.500 26.8-121.5 -79.6 146.4 32.6 48.8 22.7 63 67 A P G > S+ 0 0 20 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.862 104.7 69.6 -54.6 -39.8 35.5 50.8 21.2 64 68 A G G 3 S+ 0 0 48 1,-0.3 3,-0.1 2,-0.1 191,-0.0 0.783 118.6 18.8 -51.1 -33.2 34.1 50.7 17.7 65 69 A V G <> S+ 0 0 28 -3,-1.1 4,-2.7 2,-0.1 -1,-0.3 0.086 89.0 116.9-125.5 20.3 31.2 53.0 18.6 66 70 A F H <> S+ 0 0 0 -3,-1.5 4,-3.4 -4,-0.2 5,-0.3 0.902 71.8 59.1 -58.9 -42.3 32.5 54.6 21.7 67 71 A L H > S+ 0 0 18 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.948 114.1 36.5 -51.3 -53.4 32.6 58.0 20.2 68 72 A Q H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 172,-0.4 0.860 118.1 50.3 -69.3 -37.1 28.8 57.9 19.6 69 73 A Q H X S+ 0 0 8 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.900 108.0 53.2 -68.9 -39.1 27.9 56.0 22.7 70 74 A Y H X S+ 0 0 34 -4,-3.4 4,-2.0 -5,-0.2 -2,-0.2 0.949 112.9 44.5 -59.1 -47.5 29.9 58.4 24.9 71 75 A H H X S+ 0 0 64 -4,-1.7 4,-1.9 -5,-0.3 -2,-0.2 0.909 112.2 52.4 -62.1 -43.4 27.9 61.2 23.4 72 76 A T H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.887 109.0 50.1 -62.0 -38.2 24.7 59.3 23.7 73 77 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.887 107.0 53.6 -67.4 -41.1 25.3 58.7 27.4 74 78 A K H X S+ 0 0 34 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.905 111.9 46.3 -58.3 -43.5 26.1 62.3 28.1 75 79 A Q H X S+ 0 0 61 -4,-1.9 4,-2.6 2,-0.2 6,-0.3 0.835 106.6 56.6 -69.7 -35.5 22.7 63.2 26.6 76 80 A L H <>S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 6,-1.4 0.892 113.0 43.6 -62.6 -36.2 20.9 60.5 28.5 77 81 A I H ><5S+ 0 0 29 -4,-1.9 3,-1.5 3,-0.2 -2,-0.2 0.936 113.7 48.7 -72.5 -48.0 22.2 62.1 31.6 78 82 A L H 3<5S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.853 111.5 49.9 -60.4 -38.6 21.5 65.7 30.5 79 83 A K T 3<5S- 0 0 90 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.368 111.9-121.5 -82.4 3.5 17.9 64.8 29.5 80 84 A N T < 5S+ 0 0 123 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.675 76.4 126.2 64.6 19.7 17.4 63.1 32.9 81 85 A E S > - 0 0 13 1,-0.1 4,-2.9 5,-0.0 3,-2.4 -0.997 52.9-138.1-129.4 123.3 45.2 43.6 22.3 95 99 A P T 34 S+ 0 0 91 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.658 102.3 56.1 -55.9 -21.8 46.5 45.5 19.2 96 100 A F T 34 S+ 0 0 118 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.417 117.5 35.2 -92.9 2.9 44.4 43.5 16.8 97 101 A I T <4 S+ 0 0 41 -3,-2.4 2,-0.5 1,-0.3 -1,-0.1 0.678 127.7 28.3-116.3 -47.9 41.2 44.5 18.6 98 102 A E S < S- 0 0 3 -4,-2.9 -1,-0.3 -35,-0.0 -7,-0.0 -0.972 83.5-128.4-121.2 121.9 42.0 48.1 19.8 99 103 A S > - 0 0 26 -2,-0.5 4,-2.1 159,-0.2 5,-0.2 -0.177 21.6-117.6 -62.1 159.9 44.5 50.2 17.7 100 104 A N H > S+ 0 0 99 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.877 115.7 53.6 -67.1 -37.4 47.4 51.9 19.6 101 105 A D H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 107.6 51.1 -62.8 -44.0 46.0 55.3 18.7 102 106 A F H > S+ 0 0 4 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.957 116.5 38.9 -57.7 -54.4 42.6 54.5 20.1 103 107 A L H < S+ 0 0 16 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.929 118.2 48.4 -63.8 -46.3 44.1 53.3 23.4 104 108 A H H < S+ 0 0 145 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.805 119.2 38.0 -66.7 -29.6 46.7 56.0 23.6 105 109 A Q H X S+ 0 0 22 -4,-2.4 4,-1.7 -5,-0.2 3,-0.4 0.497 88.5 102.9 -99.3 -3.7 44.3 58.8 22.8 106 110 A F H >X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.5 3,-0.5 0.889 85.3 37.7 -44.8 -60.6 41.4 57.4 24.8 107 111 A Y H 34 S+ 0 0 77 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.777 108.4 64.7 -67.6 -24.7 41.6 59.6 27.9 108 112 A N H 34 S+ 0 0 129 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.2 0.891 116.3 30.0 -64.2 -35.0 42.6 62.7 25.8 109 113 A F H << S+ 0 0 65 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.795 133.9 30.7 -90.5 -34.2 39.1 62.4 24.2 110 114 A F >< + 0 0 6 -4,-2.7 3,-1.7 -5,-0.3 -1,-0.2 -0.619 66.1 169.1-129.5 72.2 37.2 60.9 27.1 111 115 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.760 79.8 43.4 -54.3 -33.8 38.8 62.2 30.4 112 116 A D T 3 S+ 0 0 55 2,-0.1 -25,-0.4 -5,-0.0 2,-0.1 0.319 99.3 90.6 -98.3 7.1 36.0 61.0 32.7 113 117 A A < - 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