==== 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 2WLE . 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 . 630 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 253 40.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 64 10.2 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 . 5 0.8 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 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 RESIDUES PER ALPHA HELIX . 3 19 13 17 5 1 2 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 4 2 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 6 A Y 0 0 169 0, 0.0 2,-0.4 0, 0.0 23,-0.2 0.000 360.0 360.0 360.0-167.9 20.8 0.5 -36.9 2 7 A S E +a 24 0A 61 21,-2.1 23,-2.7 2,-0.0 2,-0.5 -0.878 360.0 176.4-139.7 103.0 19.3 2.3 -34.0 3 8 A E E +a 25 0A 78 -2,-0.4 2,-0.4 21,-0.2 23,-0.2 -0.935 4.2 172.3-120.2 124.6 21.6 4.9 -32.5 4 9 A Q E +a 26 0A 130 21,-2.8 23,-2.3 -2,-0.5 2,-0.3 -0.982 39.7 38.1-137.4 124.5 20.7 7.3 -29.6 5 10 A G S S- 0 0 38 -2,-0.4 2,-0.5 21,-0.2 3,-0.3 -0.888 85.3 -37.6 137.7-166.4 22.9 9.7 -27.7 6 11 A I S S- 0 0 107 -2,-0.3 23,-2.9 1,-0.2 24,-0.2 -0.823 104.4 -11.4-105.4 130.5 25.8 12.1 -28.2 7 12 A N S S+ 0 0 124 -2,-0.5 2,-0.4 21,-0.2 -1,-0.2 0.848 72.7 164.6 58.3 47.4 28.8 11.6 -30.4 8 13 A N - 0 0 23 -3,-0.3 2,-0.5 21,-0.2 -1,-0.2 -0.771 22.7-153.6 -87.0 135.1 28.5 8.0 -31.4 9 14 A T E -h 31 0B 91 21,-2.9 23,-2.7 -2,-0.4 2,-0.5 -0.952 13.0-178.3-116.4 118.6 30.6 7.0 -34.4 10 15 A I E +h 32 0B 33 -2,-0.5 2,-0.5 21,-0.2 23,-0.2 -0.957 4.1 174.5-120.2 112.7 29.5 4.1 -36.6 11 16 A N E +h 33 0B 91 21,-3.2 23,-2.9 -2,-0.5 2,-0.5 -0.895 4.8 167.5-122.9 100.9 31.7 3.1 -39.5 12 17 A I E -h 34 0B 44 -2,-0.5 23,-0.2 21,-0.2 4,-0.1 -0.958 40.6-113.7-114.8 119.6 30.6 -0.0 -41.3 13 18 A S > - 0 0 16 21,-2.4 3,-1.9 -2,-0.5 25,-0.1 -0.235 14.9-131.4 -56.5 137.8 32.3 -0.7 -44.6 14 19 A T T 3 S+ 0 0 149 1,-0.3 -1,-0.2 23,-0.0 22,-0.1 0.597 107.3 63.2 -63.7 -13.5 29.9 -0.4 -47.6 15 20 A T T 3 S+ 0 0 61 2,-0.1 2,-0.4 20,-0.0 -1,-0.3 0.305 88.7 93.8 -92.2 5.8 31.3 -3.8 -48.8 16 21 A S < - 0 0 15 -3,-1.9 2,-0.4 21,-0.2 23,-0.2 -0.813 68.6-137.0-106.1 144.6 30.0 -5.5 -45.7 17 22 A L B +n 39 0C 86 21,-3.0 23,-3.2 -2,-0.4 -2,-0.1 -0.806 22.4 172.3 -97.0 134.7 26.7 -7.3 -45.3 18 23 A T > + 0 0 61 -2,-0.4 3,-2.0 21,-0.2 25,-0.1 0.039 18.2 169.6-127.5 26.0 24.5 -6.8 -42.2 19 24 A N T 3 S- 0 0 103 1,-0.3 23,-2.5 22,-0.1 24,-0.2 -0.075 70.1 -4.3 -44.4 126.2 21.3 -8.7 -43.3 20 25 A A T 3 S+ 0 0 83 21,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.667 98.9 139.9 64.9 18.4 18.8 -9.2 -40.4 21 26 A T < - 0 0 33 -3,-2.0 2,-0.6 21,-0.2 -1,-0.2 -0.813 42.8-153.3-101.4 130.9 21.1 -7.7 -37.9 22 27 A Q E - b 0 44A 90 21,-2.9 23,-3.1 -2,-0.5 2,-0.5 -0.888 13.1-177.0 -97.9 117.1 20.0 -5.4 -35.1 23 28 A L E - b 0 45A 13 -2,-0.6 -21,-2.1 21,-0.2 2,-0.5 -0.978 6.8-175.3-114.0 117.3 22.7 -3.0 -33.9 24 29 A T E -ab 2 46A 17 21,-3.1 23,-3.1 -2,-0.5 2,-0.5 -0.953 8.6-176.5-121.1 125.7 21.6 -0.9 -31.0 25 30 A V E +ab 3 47A 1 -23,-2.7 -21,-2.8 -2,-0.5 2,-0.5 -0.960 6.3 171.8-125.5 113.9 23.6 1.9 -29.5 26 31 A I E +ab 4 48A 40 21,-2.9 23,-2.4 -2,-0.5 2,-0.3 -0.904 49.5 32.4-127.0 105.4 22.3 3.7 -26.5 27 32 A G S S- 0 0 13 -23,-2.3 2,-0.3 -2,-0.5 23,-0.2 -0.955 84.6 -59.4 145.4-163.6 24.6 6.2 -24.7 28 33 A N S S+ 0 0 57 -2,-0.3 23,-2.4 -23,-0.2 24,-0.3 -0.832 96.2 12.4-123.0 153.1 27.4 8.6 -25.6 29 34 A N S S+ 0 0 83 -23,-2.9 2,-0.2 -2,-0.3 -21,-0.2 0.813 79.4 151.6 59.1 33.5 30.9 8.5 -27.1 30 35 A N - 0 0 2 -24,-0.2 -21,-2.9 21,-0.2 2,-0.4 -0.647 27.3-159.0 -92.8 152.5 30.5 5.0 -28.5 31 36 A S E -hi 9 53B 49 21,-2.7 23,-2.2 -2,-0.2 2,-0.4 -0.997 10.3-172.8-139.1 136.0 32.4 3.7 -31.6 32 37 A V E -hi 10 54B 4 -23,-2.7 -21,-3.2 -2,-0.4 2,-0.5 -0.997 4.2-177.9-126.3 123.9 31.7 0.9 -34.0 33 38 A Y E +hi 11 55B 81 21,-2.8 23,-3.0 -2,-0.4 2,-0.5 -0.992 3.0 176.7-120.8 122.6 34.1 -0.1 -36.7 34 39 A I E -hi 12 56B 5 -23,-2.9 -21,-2.4 -2,-0.5 23,-0.2 -0.991 19.8-148.0-123.5 125.6 33.3 -3.0 -39.1 35 40 A G > - 0 0 0 21,-2.4 3,-0.6 -2,-0.5 -22,-0.3 0.226 32.5 -49.4 -81.9-157.3 35.8 -3.6 -41.9 36 41 A N T 3 S+ 0 0 64 1,-0.2 23,-2.6 -24,-0.1 24,-0.3 -0.423 107.5 5.5 -88.4 146.4 35.6 -4.8 -45.4 37 42 A N T 3 S+ 0 0 95 1,-0.2 2,-0.3 21,-0.2 -1,-0.2 0.856 85.2 152.4 59.4 36.7 33.9 -7.9 -46.9 38 43 A C < - 0 0 1 -3,-0.6 -21,-3.0 21,-0.2 2,-0.4 -0.675 37.0-153.0 -91.7 154.8 32.3 -8.9 -43.6 39 44 A K E +no 17 61C 105 21,-2.2 23,-3.4 -2,-0.3 2,-0.7 -0.927 19.4 170.5-126.4 102.6 29.0 -10.8 -43.2 40 45 A I E + o 0 62C 2 -23,-3.2 2,-0.3 -2,-0.4 3,-0.2 -0.849 20.8 168.6-115.2 91.6 27.3 -9.9 -40.0 41 46 A V E - o 0 63C 33 21,-2.7 23,-2.3 -2,-0.7 24,-0.4 -0.776 49.6 -2.3-114.9 150.7 23.9 -11.5 -40.2 42 47 A S S S+ 0 0 74 -23,-2.5 -21,-0.2 -2,-0.3 2,-0.2 0.770 92.6 138.7 50.2 32.2 20.9 -12.3 -38.0 43 48 A S - 0 0 5 -24,-0.2 -21,-2.9 -3,-0.2 2,-0.4 -0.613 49.0-145.9-105.9 163.3 22.8 -10.9 -35.1 44 49 A N E +bc 22 66A 77 21,-3.5 23,-2.8 -2,-0.2 2,-0.6 -0.884 20.8 179.5-133.1 100.9 21.8 -8.7 -32.1 45 50 A I E -bc 23 67A 4 -23,-3.1 -21,-3.1 -2,-0.4 2,-0.5 -0.910 3.1-173.9-112.4 116.7 24.5 -6.4 -31.0 46 51 A R E -bc 24 68A 98 21,-3.1 23,-2.9 -2,-0.6 2,-0.6 -0.948 12.9-175.9-118.7 121.4 23.7 -4.0 -28.1 47 52 A L E +bc 25 69A 0 -23,-3.1 -21,-2.9 -2,-0.5 2,-0.6 -0.953 13.6 174.3-108.9 108.6 26.0 -1.3 -26.8 48 53 A K E +b 26 0A 99 21,-2.7 23,-0.5 -2,-0.6 2,-0.3 -0.950 48.4 27.5-119.9 110.0 24.3 0.3 -23.8 49 54 A G S S- 0 0 11 -23,-2.4 2,-0.3 -2,-0.6 3,-0.2 -0.951 88.6 -57.5 140.3-160.5 26.5 2.8 -21.9 50 55 A N S S+ 0 0 56 -2,-0.3 22,-2.6 -23,-0.2 -21,-0.2 -0.894 100.4 15.4-123.4 151.6 29.2 5.3 -22.8 51 56 A N S S+ 0 0 73 -23,-2.4 2,-0.3 -2,-0.3 -21,-0.2 0.850 80.0 156.5 60.5 38.1 32.7 5.1 -24.3 52 57 A I - 0 0 0 -24,-0.3 -21,-2.7 -3,-0.2 2,-0.4 -0.734 25.4-157.4 -94.4 143.2 32.2 1.6 -25.6 53 58 A T E -ij 31 74B 43 20,-2.3 22,-1.9 -2,-0.3 2,-0.4 -0.979 13.6-178.2-126.0 137.6 34.2 0.3 -28.6 54 59 A L E -ij 32 75B 4 -23,-2.2 -21,-2.8 -2,-0.4 2,-0.5 -0.993 8.4-179.4-128.7 121.8 33.5 -2.5 -31.1 55 60 A F E +ij 33 76B 72 20,-2.7 22,-2.6 -2,-0.4 2,-0.5 -0.981 4.5 176.6-126.9 118.3 36.1 -3.3 -33.6 56 61 A I E -ij 34 77B 2 -23,-3.0 -21,-2.4 -2,-0.5 22,-0.2 -0.990 19.1-148.2-122.2 122.0 35.5 -6.0 -36.2 57 62 A A > - 0 0 9 20,-2.9 3,-0.7 -2,-0.5 -22,-0.3 0.039 35.1 -58.1 -81.4-169.6 38.3 -6.4 -38.8 58 63 A D T 3 S+ 0 0 58 1,-0.2 22,-2.0 -24,-0.1 23,-0.3 -0.344 111.6 16.7 -71.8 150.9 38.0 -7.5 -42.5 59 64 A D T 3 S+ 0 0 60 -23,-2.6 2,-0.4 1,-0.2 -1,-0.2 0.744 81.6 151.2 66.3 26.6 36.6 -10.8 -43.7 60 65 A V < - 0 0 0 -3,-0.7 -21,-2.2 -24,-0.3 2,-0.4 -0.751 27.7-162.8 -90.4 136.3 34.8 -11.6 -40.5 61 66 A E E +op 39 82C 91 20,-2.0 22,-2.5 -2,-0.4 2,-0.4 -0.985 11.9 173.8-124.4 124.4 31.6 -13.7 -40.8 62 67 A I E -op 40 83C 4 -23,-3.4 -21,-2.7 -2,-0.4 2,-0.4 -0.997 8.9-175.4-135.9 129.4 29.1 -13.8 -38.0 63 68 A M E S-o 41 0C 98 20,-1.8 -21,-0.2 -2,-0.4 -20,-0.1 -0.935 71.8 -7.7-130.5 108.5 25.8 -15.5 -37.9 64 69 A G S S+ 0 0 16 -23,-2.3 22,-1.8 -2,-0.4 2,-0.4 0.825 76.1 167.6 81.6 35.4 23.4 -15.2 -34.9 65 70 A L E - d 0 86A 1 -24,-0.4 -21,-3.5 20,-0.2 2,-0.6 -0.681 22.0-160.3 -78.1 128.6 25.6 -13.4 -32.4 66 71 A V E +cd 44 87A 80 20,-3.0 22,-2.4 -2,-0.4 2,-0.5 -0.968 21.9 179.6-106.4 112.3 23.9 -12.0 -29.3 67 72 A C E -cd 45 88A 2 -23,-2.8 -21,-3.1 -2,-0.6 2,-0.5 -0.964 16.1-173.9-126.1 125.7 26.3 -9.4 -28.0 68 73 A S E +cd 46 89A 35 20,-2.5 22,-2.6 -2,-0.5 2,-0.4 -0.970 7.7 179.4-123.2 118.3 25.8 -7.2 -24.9 69 74 A L E -cd 47 90A 0 -23,-2.9 -21,-2.7 -2,-0.5 2,-0.2 -0.951 7.5-161.3-120.6 137.9 28.4 -4.5 -24.1 70 75 A H > - 0 0 64 20,-1.1 3,-1.7 -2,-0.4 -21,-0.2 -0.522 44.0 -46.0-108.9 178.5 28.3 -2.0 -21.2 71 76 A S T 3 S+ 0 0 33 -23,-0.5 22,-0.5 1,-0.3 -20,-0.2 -0.072 121.7 2.8 -48.1 134.3 30.0 1.3 -20.5 72 77 A D T 3 S+ 0 0 63 -22,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.624 98.9 133.7 67.7 15.0 33.7 1.5 -21.1 73 78 A C < - 0 0 0 -3,-1.7 -20,-2.3 -23,-0.2 2,-0.3 -0.528 38.1-157.8 -93.1 164.2 33.9 -2.0 -22.5 74 79 A S E -jk 53 95B 22 20,-1.7 22,-2.3 -22,-0.2 2,-0.4 -0.996 11.3-170.6-146.9 136.4 35.6 -3.2 -25.7 75 80 A L E -jk 54 96B 0 -22,-1.9 -20,-2.7 -2,-0.3 2,-0.4 -0.999 10.3-175.0-127.2 128.3 35.2 -6.1 -28.1 76 81 A Q E -jk 55 97B 73 20,-2.2 22,-3.0 -2,-0.4 2,-0.5 -0.991 5.2-176.3-127.1 129.2 37.8 -6.7 -30.8 77 82 A I E -jk 56 98B 0 -22,-2.6 -20,-2.9 -2,-0.4 22,-0.2 -0.969 19.0-142.3-128.9 117.3 37.6 -9.4 -33.4 78 83 A Q > - 0 0 64 20,-2.6 3,-1.2 -2,-0.5 24,-0.2 -0.209 36.2 -58.7 -87.0 172.5 40.4 -9.8 -35.8 79 84 A A T 3 S+ 0 0 27 1,-0.2 22,-2.7 21,-0.2 -20,-0.2 0.009 110.6 7.5 -58.3 141.2 40.5 -10.6 -39.5 80 85 A K T 3 S+ 0 0 116 -22,-2.0 -1,-0.2 1,-0.2 2,-0.2 0.503 83.1 146.5 76.9 7.8 39.1 -13.8 -41.1 81 86 A T < - 0 0 0 -3,-1.2 -20,-2.0 -23,-0.3 2,-0.4 -0.532 31.6-157.8 -76.9 140.5 37.4 -15.0 -37.9 82 87 A T E -pq 61 103C 31 20,-2.5 22,-3.0 -22,-0.2 2,-0.4 -0.961 10.7-177.8-120.7 143.9 34.1 -16.9 -38.4 83 88 A M E -pq 62 104C 9 -22,-2.5 -20,-1.8 -2,-0.4 22,-0.2 -0.998 9.9-160.8-144.0 133.1 31.5 -17.4 -35.7 84 89 A G - 0 0 9 20,-2.9 -21,-0.2 -2,-0.4 2,-0.1 0.059 59.0 -32.9 -88.2-155.1 28.2 -19.2 -35.6 85 90 A N S S+ 0 0 75 -20,-0.1 22,-2.0 -23,-0.1 23,-0.9 -0.404 86.0 113.3 -64.1 139.2 25.3 -18.6 -33.1 86 91 A G E -de 65 108A 15 -22,-1.8 -20,-3.0 21,-0.2 2,-0.4 -0.990 53.8 -94.4 175.2-172.8 26.4 -17.6 -29.7 87 92 A E E -de 66 109A 50 21,-2.2 23,-2.5 -2,-0.3 2,-0.4 -0.980 19.4-175.8-135.2 130.5 26.6 -15.1 -26.9 88 93 A I E -de 67 110A 0 -22,-2.4 -20,-2.5 -2,-0.4 2,-0.4 -0.996 8.6-176.4-126.5 127.9 29.2 -12.5 -25.8 89 94 A T E +de 68 111A 13 21,-2.4 23,-1.5 -2,-0.4 2,-0.4 -0.986 2.5 179.1-129.3 126.6 28.8 -10.5 -22.7 90 95 A I E +d 69 0A 0 -22,-2.6 -20,-1.1 -2,-0.4 2,-0.2 -0.993 16.3 138.6-128.7 131.0 31.1 -7.7 -21.5 91 96 A A > + 0 0 4 -2,-0.4 3,-1.4 -22,-0.2 -2,-0.0 -0.810 40.6 68.6-146.2-165.5 30.8 -5.6 -18.4 92 97 A E T 3 S- 0 0 53 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.856 120.3 -71.6 50.9 37.5 32.8 -4.1 -15.5 93 98 A K T 3 S+ 0 0 132 -22,-0.5 -1,-0.3 1,-0.1 -21,-0.1 0.801 101.7 136.6 54.7 34.0 34.5 -1.8 -18.0 94 99 A G < - 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