==== 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 23-JUN-09 2WLF . COMPND 2 MOLECULE: POLYSIALIC ACID O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS SEROGROUP Y; . AUTHOR H.J.LEE,B.RAKIC,M.GILBERT,W.W.WAKARCHUK,S.G.WITHERS, N.C.J.S . 632 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 247 39.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 66 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 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 RESIDUES PER ALPHA HELIX . 3 20 11 19 7 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 . 6 0 3 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 3 0 0 0 3 3 3 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 M 0 0 164 0, 0.0 2,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 -92.4 20.6 -0.8 -40.5 2 6 A Y - 0 0 90 21,-0.1 2,-0.7 2,-0.1 23,-0.2 -0.851 360.0-131.5 179.7 151.4 20.9 0.4 -36.9 3 7 A S E +a 25 0A 56 21,-2.7 23,-2.4 -2,-0.2 2,-0.4 -0.900 33.3 177.8-112.5 102.9 19.2 2.3 -34.1 4 8 A E E +a 26 0A 70 -2,-0.7 2,-0.3 21,-0.2 23,-0.2 -0.851 3.9 172.7-111.7 139.9 21.6 4.8 -32.6 5 9 A Q E +a 27 0A 118 21,-2.5 23,-2.1 -2,-0.4 2,-0.3 -0.870 35.9 40.2-156.4 114.1 20.8 7.3 -29.8 6 10 A G S S- 0 0 40 -2,-0.3 2,-0.5 21,-0.2 3,-0.3 -0.934 84.8 -35.7 145.6-166.5 22.9 9.7 -27.7 7 11 A I S S- 0 0 103 -2,-0.3 23,-2.5 1,-0.2 24,-0.3 -0.790 106.4 -14.3 -99.3 128.5 25.8 12.1 -28.1 8 12 A N S S+ 0 0 128 -2,-0.5 2,-0.3 21,-0.2 -1,-0.2 0.852 74.2 163.7 55.1 48.6 28.8 11.7 -30.4 9 13 A N - 0 0 25 -3,-0.3 2,-0.5 21,-0.2 23,-0.2 -0.744 23.7-152.0 -88.7 143.1 28.5 8.0 -31.4 10 14 A T E -h 32 0B 90 21,-2.7 23,-2.8 -2,-0.3 2,-0.5 -0.974 12.9-176.8-123.0 119.6 30.5 7.0 -34.4 11 15 A I E +h 33 0B 36 -2,-0.5 2,-0.5 21,-0.2 23,-0.2 -0.965 3.6 176.6-120.8 115.5 29.4 4.1 -36.5 12 16 A N E +h 34 0B 88 21,-2.9 23,-2.6 -2,-0.5 2,-0.5 -0.903 5.0 168.7-125.7 101.4 31.7 3.1 -39.4 13 17 A I E -h 35 0B 39 -2,-0.5 23,-0.2 21,-0.2 4,-0.1 -0.953 38.3-115.5-121.3 117.6 30.5 0.1 -41.4 14 18 A S > - 0 0 15 21,-2.3 3,-1.9 -2,-0.5 25,-0.1 -0.205 15.7-131.2 -56.4 137.6 32.3 -0.6 -44.6 15 19 A T T 3 S+ 0 0 151 1,-0.3 -1,-0.2 23,-0.0 22,-0.1 0.602 106.9 64.2 -62.9 -13.6 30.0 -0.4 -47.6 16 20 A T T 3 S+ 0 0 61 2,-0.1 2,-0.4 20,-0.0 -1,-0.3 0.291 87.4 95.3 -93.0 9.0 31.3 -3.8 -48.7 17 21 A S < - 0 0 15 -3,-1.9 2,-0.4 21,-0.2 23,-0.2 -0.833 67.4-137.2-110.1 140.1 29.8 -5.4 -45.7 18 22 A L B +n 40 0C 80 21,-3.0 23,-3.0 -2,-0.4 -2,-0.1 -0.776 21.5 173.1 -91.9 132.6 26.5 -7.3 -45.3 19 23 A T > + 0 0 41 -2,-0.4 3,-2.2 21,-0.2 25,-0.1 0.032 19.1 168.7-122.8 23.3 24.4 -6.6 -42.2 20 24 A N T 3 - 0 0 98 1,-0.3 23,-2.2 22,-0.1 24,-0.3 -0.062 69.9 -6.8 -44.4 125.3 21.3 -8.6 -43.3 21 25 A A T 3 S+ 0 0 84 21,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.656 100.3 137.0 64.0 17.8 18.8 -9.1 -40.4 22 26 A T < - 0 0 15 -3,-2.2 2,-0.6 21,-0.2 -1,-0.2 -0.788 43.7-151.9-101.1 137.7 21.1 -7.7 -37.9 23 27 A Q E - b 0 45A 73 21,-2.9 23,-3.2 -2,-0.4 2,-0.5 -0.943 11.4-175.1-106.7 121.1 20.1 -5.3 -35.2 24 28 A L E - b 0 46A 8 -2,-0.6 -21,-2.7 21,-0.2 2,-0.5 -0.977 6.6-175.2-115.2 118.6 22.7 -2.8 -33.9 25 29 A T E -ab 3 47A 18 21,-2.9 23,-3.1 -2,-0.5 2,-0.5 -0.962 7.3-176.5-120.1 128.9 21.6 -0.7 -31.0 26 30 A V E +ab 4 48A 1 -23,-2.4 -21,-2.5 -2,-0.5 2,-0.4 -0.973 7.5 169.1-128.6 115.6 23.6 2.1 -29.5 27 31 A I E +ab 5 49A 39 21,-2.8 23,-2.6 -2,-0.5 2,-0.3 -0.958 49.8 34.9-130.2 112.0 22.3 3.9 -26.5 28 32 A G S S- 0 0 13 -23,-2.1 2,-0.3 -2,-0.4 23,-0.2 -0.945 84.8 -59.3 140.9-163.3 24.7 6.3 -24.7 29 33 A N S S+ 0 0 56 -2,-0.3 23,-2.7 -23,-0.2 24,-0.3 -0.893 96.5 10.9-125.6 150.4 27.6 8.6 -25.5 30 34 A N S S+ 0 0 83 -23,-2.5 2,-0.2 -2,-0.3 -21,-0.2 0.855 79.7 156.4 60.0 34.6 31.0 8.5 -27.1 31 35 A N - 0 0 2 -24,-0.3 -21,-2.7 21,-0.2 2,-0.4 -0.648 25.1-158.9 -92.6 154.2 30.5 5.0 -28.5 32 36 A S E -hi 10 54B 48 21,-2.5 23,-2.4 -2,-0.2 2,-0.5 -0.984 11.4-176.6-142.2 125.8 32.4 3.7 -31.5 33 37 A V E +hi 11 55B 2 -23,-2.8 -21,-2.9 -2,-0.4 2,-0.4 -0.983 3.9 179.7-123.3 125.8 31.7 0.9 -33.9 34 38 A Y E +hi 12 56B 75 21,-3.0 23,-3.3 -2,-0.5 2,-0.4 -0.984 2.9 178.0-127.0 124.7 34.0 -0.1 -36.7 35 39 A I E -hi 13 57B 6 -23,-2.6 -21,-2.3 -2,-0.4 23,-0.2 -0.993 20.7-145.6-124.2 125.3 33.3 -3.0 -39.1 36 40 A G > - 0 0 0 21,-2.4 3,-0.6 -2,-0.4 -22,-0.2 0.178 33.2 -52.9 -81.8-162.3 35.8 -3.6 -41.8 37 41 A N T 3 S+ 0 0 61 1,-0.2 23,-2.8 -24,-0.1 24,-0.3 -0.378 108.7 9.3 -82.5 148.2 35.6 -4.8 -45.4 38 42 A N T 3 S+ 0 0 92 21,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.833 85.7 151.7 58.3 36.4 33.9 -7.9 -46.8 39 43 A C < - 0 0 1 -3,-0.6 -21,-3.0 21,-0.2 2,-0.4 -0.656 36.5-155.9 -89.4 152.8 32.2 -8.8 -43.5 40 44 A K E +no 18 62C 104 21,-2.2 23,-3.0 -2,-0.3 2,-0.8 -0.873 17.3 171.4-127.9 98.1 28.9 -10.7 -43.2 41 45 A I E + o 0 63C 2 -23,-3.0 2,-0.3 -2,-0.4 3,-0.2 -0.837 21.6 167.7-106.0 92.3 27.2 -9.8 -39.9 42 46 A V E + o 0 64C 32 21,-2.5 23,-2.2 -2,-0.8 24,-0.4 -0.743 50.3 0.0-115.4 154.2 23.8 -11.4 -40.2 43 47 A S S S+ 0 0 73 -23,-2.2 -21,-0.2 -2,-0.3 2,-0.2 0.769 94.5 136.5 47.8 33.1 20.8 -12.3 -38.0 44 48 A S - 0 0 4 -24,-0.3 -21,-2.9 -3,-0.2 2,-0.4 -0.639 49.7-146.9-110.3 165.0 22.7 -10.8 -35.0 45 49 A N E -bc 23 67A 78 21,-3.3 23,-2.5 -2,-0.2 2,-0.6 -0.886 18.0-178.0-136.4 100.9 21.7 -8.6 -32.2 46 50 A I E -bc 24 68A 4 -23,-3.2 -21,-2.9 -2,-0.4 2,-0.5 -0.888 3.5-172.0-111.6 113.9 24.4 -6.2 -31.0 47 51 A R E -bc 25 69A 94 21,-2.9 23,-2.6 -2,-0.6 2,-0.6 -0.907 11.4-175.6-113.6 120.8 23.6 -4.0 -28.1 48 52 A L E +bc 26 70A 0 -23,-3.1 -21,-2.8 -2,-0.5 2,-0.6 -0.938 13.7 173.2-111.0 106.6 25.9 -1.1 -26.9 49 53 A K E +b 27 0A 94 21,-2.3 23,-0.4 -2,-0.6 2,-0.3 -0.931 48.0 21.6-120.7 107.1 24.3 0.3 -23.8 50 54 A G S S- 0 0 12 -23,-2.6 2,-0.3 -2,-0.6 3,-0.2 -0.944 89.7 -53.9 139.2-156.4 26.4 3.0 -21.9 51 55 A N S S+ 0 0 58 -2,-0.3 22,-2.9 -23,-0.2 -21,-0.2 -0.870 100.2 15.4-123.9 154.4 29.3 5.3 -22.7 52 56 A N S S+ 0 0 69 -23,-2.7 2,-0.3 -2,-0.3 -21,-0.2 0.866 79.6 154.7 58.0 39.3 32.7 5.1 -24.3 53 57 A I - 0 0 0 -24,-0.3 -21,-2.5 -3,-0.2 2,-0.4 -0.734 26.1-158.8 -96.4 146.7 32.2 1.6 -25.6 54 58 A T E -ij 32 75B 54 20,-2.1 22,-1.9 -2,-0.3 2,-0.4 -0.988 12.3-174.2-129.6 139.8 34.1 0.3 -28.6 55 59 A L E -ij 33 76B 4 -23,-2.4 -21,-3.0 -2,-0.4 2,-0.5 -0.994 9.5-177.3-129.1 122.6 33.3 -2.5 -31.1 56 60 A F E +ij 34 77B 77 20,-2.9 22,-2.9 -2,-0.4 2,-0.5 -0.955 6.2 175.4-128.2 116.6 35.9 -3.3 -33.6 57 61 A I E -ij 35 78B 2 -23,-3.3 -21,-2.4 -2,-0.5 22,-0.2 -0.977 18.8-148.7-119.9 122.8 35.4 -6.0 -36.2 58 62 A A > - 0 0 9 20,-2.7 3,-0.7 -2,-0.5 -22,-0.4 0.024 36.2 -59.0 -80.5-169.8 38.2 -6.5 -38.8 59 63 A D T 3 S+ 0 0 56 1,-0.2 22,-1.9 -24,-0.1 23,-0.3 -0.341 111.9 16.0 -74.2 149.4 37.9 -7.5 -42.5 60 64 A D T 3 S+ 0 0 62 -23,-2.8 2,-0.4 1,-0.2 -1,-0.2 0.770 81.6 150.6 66.9 26.7 36.5 -10.8 -43.7 61 65 A V < - 0 0 0 -3,-0.7 -21,-2.2 -24,-0.3 2,-0.5 -0.773 27.7-163.1 -91.9 135.8 34.7 -11.6 -40.5 62 66 A E E +op 40 83C 80 20,-2.3 22,-2.6 -2,-0.4 2,-0.4 -0.981 12.1 173.3-124.3 124.0 31.5 -13.6 -40.7 63 67 A I E -op 41 84C 3 -23,-3.0 -21,-2.5 -2,-0.5 2,-0.4 -0.996 8.0-175.8-134.1 133.1 29.1 -13.8 -37.9 64 68 A M E S-o 42 0C 92 20,-2.1 -21,-0.2 -2,-0.4 -20,-0.1 -0.956 70.7 -5.0-135.3 115.6 25.6 -15.4 -37.8 65 69 A G S S+ 0 0 18 -23,-2.2 22,-1.2 -2,-0.4 2,-0.3 0.734 78.3 165.6 78.6 26.5 23.2 -15.2 -34.9 66 70 A L E - d 0 87A 2 -24,-0.4 -21,-3.3 20,-0.2 2,-0.6 -0.587 23.2-161.0 -72.4 130.1 25.5 -13.4 -32.4 67 71 A V E -cd 45 88A 78 20,-2.7 22,-2.3 -2,-0.3 2,-0.4 -0.952 20.6-179.3-112.1 108.0 23.8 -11.9 -29.4 68 72 A C E -cd 46 89A 3 -23,-2.5 -21,-2.9 -2,-0.6 2,-0.5 -0.912 16.5-174.6-121.2 133.8 26.2 -9.3 -28.0 69 73 A S E +cd 47 90A 31 20,-2.2 22,-2.6 -2,-0.4 2,-0.4 -0.976 6.9 178.1-130.7 113.3 25.8 -7.1 -24.9 70 74 A L E -cd 48 91A 0 -23,-2.6 -21,-2.3 -2,-0.5 22,-0.2 -0.963 8.2-163.3-115.0 137.1 28.4 -4.4 -24.1 71 75 A H > - 0 0 61 20,-1.3 3,-1.7 -2,-0.4 -21,-0.2 -0.452 44.9 -39.6-108.2-174.0 28.2 -2.0 -21.2 72 76 A S T 3 S- 0 0 35 -23,-0.4 22,-0.5 1,-0.3 -1,-0.2 -0.107 123.5 -0.7 -54.3 134.5 30.0 1.2 -20.4 73 77 A D T 3 S+ 0 0 60 -22,-2.9 -1,-0.3 1,-0.2 -20,-0.2 0.687 98.9 139.0 64.1 21.1 33.7 1.5 -21.2 74 78 A C < - 0 0 0 -3,-1.7 -20,-2.1 -23,-0.2 2,-0.3 -0.478 36.1-156.3 -93.3 167.9 33.7 -2.0 -22.6 75 79 A S E -jk 54 96B 34 20,-1.6 22,-2.5 -22,-0.2 2,-0.4 -0.967 13.3-176.6-152.4 130.0 35.5 -3.2 -25.6 76 80 A L E -jk 55 97B 1 -22,-1.9 -20,-2.9 -2,-0.3 2,-0.4 -0.996 8.5-179.5-124.8 126.4 35.2 -6.1 -28.1 77 81 A Q E -jk 56 98B 81 20,-2.0 22,-2.5 -2,-0.4 2,-0.5 -0.996 6.4-171.8-128.6 132.6 37.6 -6.6 -30.9 78 82 A I E -jk 57 99B 0 -22,-2.9 -20,-2.7 -2,-0.4 22,-0.2 -0.983 19.7-140.7-125.4 118.4 37.4 -9.4 -33.4 79 83 A Q > - 0 0 49 20,-2.8 3,-1.1 -2,-0.5 24,-0.2 -0.153 36.5 -56.0 -85.9 178.3 40.3 -9.9 -35.8 80 84 A A T 3 S+ 0 0 28 1,-0.2 22,-3.0 21,-0.2 -20,-0.2 -0.085 110.3 5.5 -65.3 140.8 40.4 -10.7 -39.4 81 85 A K T 3 S+ 0 0 116 -22,-1.9 2,-0.2 1,-0.3 -1,-0.2 0.554 83.4 148.7 76.1 11.8 38.9 -13.8 -41.1 82 86 A T < - 0 0 0 -3,-1.1 -20,-2.3 -23,-0.3 2,-0.4 -0.555 31.4-156.5 -78.5 138.9 37.2 -15.0 -37.9 83 87 A T E -pq 62 104C 32 20,-2.8 22,-2.5 -2,-0.2 2,-0.4 -0.936 10.5-175.2-117.6 143.3 34.0 -16.9 -38.4 84 88 A M E -pq 63 105C 8 -22,-2.6 -20,-2.1 -2,-0.4 22,-0.2 -0.993 8.6-164.7-143.5 128.8 31.3 -17.2 -35.8 85 89 A G - 0 0 11 20,-2.5 -21,-0.3 -2,-0.4 2,-0.2 0.077 59.5 -34.5 -86.9-154.3 28.0 -19.2 -35.6 86 90 A N S S+ 0 0 73 -20,-0.1 22,-2.6 -23,-0.1 23,-0.9 -0.465 85.3 118.4 -70.5 136.8 25.2 -18.6 -33.1 87 91 A G E -de 66 109A 14 -22,-1.2 -20,-2.7 21,-0.2 2,-0.4 -0.983 52.2-100.9-179.6-175.0 26.4 -17.5 -29.7 88 92 A E E -de 67 110A 48 21,-1.9 23,-2.5 -2,-0.3 2,-0.4 -0.975 18.8-173.5-134.1 132.4 26.5 -15.0 -27.0 89 93 A I E -de 68 111A 0 -22,-2.3 -20,-2.2 -2,-0.4 2,-0.4 -0.998 7.7-176.3-126.5 129.9 29.1 -12.5 -25.9 90 94 A T E +de 69 112A 12 21,-2.6 23,-1.4 -2,-0.4 2,-0.4 -0.992 2.9 177.9-129.0 129.0 28.7 -10.4 -22.7 91 95 A I E +d 70 0A 0 -22,-2.6 -20,-1.3 -2,-0.4 2,-0.2 -0.995 15.7 139.1-131.5 129.2 31.0 -7.7 -21.5 92 96 A A > + 0 0 4 -2,-0.4 3,-1.4 -22,-0.2 -2,-0.0 -0.781 41.6 68.1-146.0-166.9 30.6 -5.5 -18.4 93 97 A E T 3 S- 0 0 54 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.829 119.5 -73.5 51.8 37.6 32.7 -4.1 -15.5 94 98 A K T 3 S+ 0 0 134 -22,-0.5 -1,-0.3 1,-0.1 -21,-0.1 0.794 100.6 134.4 53.2 33.6 34.5 -1.8 -18.0 95 99 A G < - 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