==== 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 2WLG . 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) . 27458.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 245 38.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.3 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 . 59 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 13 17 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 5 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 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 0 136 0, 0.0 23,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 179.6 22.4 -1.3 -40.4 2 6 A Y - 0 0 96 21,-0.1 2,-0.5 9,-0.0 23,-0.2 -0.955 360.0-122.5-160.6 162.6 21.5 0.1 -37.0 3 7 A S E -a 25 0A 62 21,-3.4 23,-2.4 -2,-0.3 2,-0.5 -0.958 35.6-174.5-120.7 109.5 19.4 2.1 -34.5 4 8 A E E +a 26 0A 78 -2,-0.5 2,-0.4 21,-0.2 23,-0.2 -0.899 8.3 174.0-117.0 122.7 21.5 4.7 -32.7 5 9 A Q E +a 27 0A 127 21,-3.5 23,-2.6 -2,-0.5 2,-0.3 -0.949 42.2 38.5-135.3 117.4 20.4 7.0 -29.8 6 10 A G S S- 0 0 35 -2,-0.4 2,-0.5 21,-0.2 3,-0.3 -0.949 86.8 -39.2 144.8-163.4 22.5 9.4 -27.8 7 11 A I S S- 0 0 107 -2,-0.3 23,-2.9 1,-0.2 24,-0.2 -0.849 105.1 -11.4-107.4 129.8 25.3 11.9 -28.2 8 12 A N S S+ 0 0 120 -2,-0.5 2,-0.4 21,-0.2 -1,-0.2 0.851 72.9 164.6 57.5 45.7 28.3 11.5 -30.5 9 13 A N - 0 0 23 -3,-0.3 2,-0.6 21,-0.2 -1,-0.2 -0.758 22.7-154.3 -85.9 137.6 28.1 7.9 -31.5 10 14 A T E -h 32 0B 92 21,-2.8 23,-2.5 -2,-0.4 2,-0.5 -0.966 13.2-178.8-116.3 116.8 30.3 7.0 -34.4 11 15 A I E +h 33 0B 30 -2,-0.6 2,-0.5 21,-0.2 23,-0.2 -0.973 4.1 174.7-118.2 118.1 29.3 4.1 -36.5 12 16 A N E +h 34 0B 89 21,-2.7 23,-2.6 -2,-0.5 2,-0.5 -0.905 5.5 167.0-125.3 100.2 31.5 3.1 -39.5 13 17 A I E -h 35 0B 36 -2,-0.5 23,-0.2 21,-0.2 24,-0.1 -0.966 40.4-112.2-116.0 125.2 30.4 -0.0 -41.3 14 18 A S > - 0 0 16 21,-2.1 3,-1.8 -2,-0.5 25,-0.1 -0.264 14.2-130.1 -61.2 142.0 32.0 -0.7 -44.6 15 19 A T T 3 S+ 0 0 146 1,-0.3 -1,-0.1 23,-0.0 22,-0.1 0.575 107.6 61.9 -65.4 -12.1 29.7 -0.5 -47.6 16 20 A T T 3 S+ 0 0 61 2,-0.1 2,-0.3 20,-0.0 -1,-0.3 0.329 88.1 95.4 -93.2 2.8 31.1 -3.8 -48.7 17 21 A S < - 0 0 15 -3,-1.8 2,-0.4 21,-0.2 23,-0.2 -0.757 68.2-139.1-101.1 144.6 29.8 -5.5 -45.7 18 22 A L B +n 40 0C 81 21,-2.8 23,-2.8 -2,-0.3 -2,-0.1 -0.828 21.3 173.7-100.8 138.6 26.5 -7.3 -45.4 19 23 A T > + 0 0 35 -2,-0.4 3,-1.8 21,-0.2 25,-0.1 0.045 17.3 167.5-133.3 23.8 24.3 -6.8 -42.3 20 24 A N T 3 - 0 0 100 1,-0.3 23,-2.1 22,-0.1 24,-0.3 -0.101 68.9 -2.7 -47.5 130.1 21.1 -8.7 -43.2 21 25 A A T 3 S+ 0 0 83 21,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.624 100.2 134.9 64.7 16.6 18.6 -9.4 -40.4 22 26 A T < - 0 0 21 -3,-1.8 2,-0.6 21,-0.2 23,-0.2 -0.802 45.5-151.6-104.8 138.5 20.9 -7.9 -37.8 23 27 A Q E - b 0 45A 104 21,-3.0 23,-3.0 -2,-0.4 2,-0.6 -0.926 11.7-177.0-105.1 115.8 19.9 -5.4 -35.1 24 28 A L E - b 0 46A 5 -2,-0.6 -21,-3.4 -23,-0.4 2,-0.5 -0.976 8.3-177.4-109.3 118.0 22.6 -3.0 -33.9 25 29 A T E -ab 3 47A 21 21,-2.6 23,-3.0 -2,-0.6 2,-0.5 -0.980 8.6-175.3-120.5 124.8 21.3 -0.9 -31.1 26 30 A V E +ab 4 48A 1 -23,-2.4 -21,-3.5 -2,-0.5 2,-0.5 -0.984 5.9 175.8-122.8 111.4 23.5 1.9 -29.6 27 31 A I E +ab 5 49A 39 21,-3.1 23,-2.2 -2,-0.5 2,-0.3 -0.915 50.1 27.0-121.7 104.4 21.9 3.6 -26.6 28 32 A G S S- 0 0 13 -23,-2.6 2,-0.3 -2,-0.5 3,-0.2 -0.936 85.6 -50.3 139.9-167.2 24.2 6.1 -24.9 29 33 A N S S+ 0 0 54 -2,-0.3 23,-2.5 -23,-0.2 24,-0.3 -0.813 96.1 5.9-116.8 147.3 27.0 8.5 -25.6 30 34 A N S S+ 0 0 89 -23,-2.9 2,-0.3 -2,-0.3 -21,-0.2 0.833 78.7 154.3 61.3 34.2 30.5 8.5 -27.2 31 35 A N - 0 0 2 -24,-0.2 -21,-2.8 -3,-0.2 2,-0.4 -0.661 26.2-157.8 -90.8 151.7 30.2 5.0 -28.5 32 36 A S E -hi 10 54B 49 21,-2.6 23,-2.5 -2,-0.3 2,-0.4 -0.991 10.8-175.6-138.4 131.3 32.1 3.7 -31.5 33 37 A V E -hi 11 55B 5 -23,-2.5 -21,-2.7 -2,-0.4 2,-0.5 -0.985 2.5-177.2-123.3 128.7 31.6 0.9 -33.9 34 38 A Y E +hi 12 56B 81 21,-2.9 23,-2.9 -2,-0.4 2,-0.4 -0.994 2.9 178.4-124.1 125.4 33.9 -0.1 -36.7 35 39 A I E -hi 13 57B 6 -23,-2.6 -21,-2.1 -2,-0.5 23,-0.2 -0.995 20.0-146.8-122.9 125.5 33.1 -3.0 -39.1 36 40 A G > - 0 0 0 21,-2.4 3,-0.7 -2,-0.4 -22,-0.3 0.152 33.6 -51.4 -81.1-164.0 35.7 -3.6 -41.8 37 41 A N T 3 S+ 0 0 63 1,-0.2 23,-2.6 -24,-0.1 24,-0.2 -0.376 108.0 5.5 -80.8 146.2 35.5 -4.8 -45.4 38 42 A N T 3 S+ 0 0 95 1,-0.2 -1,-0.2 21,-0.2 2,-0.2 0.806 84.3 151.5 58.9 31.4 33.7 -7.8 -46.8 39 43 A C < - 0 0 0 -3,-0.7 -21,-2.8 21,-0.2 2,-0.4 -0.588 36.0-154.0 -82.6 156.6 32.1 -8.8 -43.5 40 44 A K E +no 18 62C 105 21,-2.2 23,-3.0 -2,-0.2 2,-0.6 -0.942 18.7 171.3-130.4 105.7 28.9 -10.8 -43.3 41 45 A I E + o 0 63C 2 -23,-2.8 2,-0.3 -2,-0.4 3,-0.2 -0.890 18.5 165.6-119.4 97.4 27.1 -10.1 -40.0 42 46 A V E + o 0 64C 35 21,-2.7 23,-2.3 -2,-0.6 24,-0.4 -0.795 49.0 5.4-122.4 154.3 23.7 -11.6 -40.2 43 47 A S S S+ 0 0 71 -23,-2.1 -21,-0.2 -2,-0.3 2,-0.2 0.745 92.8 135.7 52.4 29.6 20.8 -12.5 -37.9 44 48 A S - 0 0 6 -24,-0.3 -21,-3.0 -3,-0.2 2,-0.4 -0.580 49.9-149.3-106.9 166.6 22.6 -11.0 -35.0 45 49 A N E -bc 23 67A 74 21,-3.1 23,-2.9 -23,-0.2 2,-0.5 -0.891 18.6-179.9-137.2 102.4 21.6 -8.7 -32.1 46 50 A I E -bc 24 68A 4 -23,-3.0 -21,-2.6 -2,-0.4 2,-0.5 -0.935 5.2-170.9-109.1 122.3 24.4 -6.4 -30.9 47 51 A R E -bc 25 69A 90 21,-2.8 23,-2.7 -2,-0.5 2,-0.7 -0.960 14.1-174.7-122.6 117.9 23.5 -4.1 -28.1 48 52 A L E +bc 26 70A 0 -23,-3.0 -21,-3.1 -2,-0.5 2,-0.6 -0.947 15.2 174.3-106.4 107.5 25.8 -1.2 -26.8 49 53 A K E +b 27 0A 96 21,-2.7 23,-0.4 -2,-0.7 2,-0.3 -0.929 48.7 25.5-121.0 101.6 24.0 0.1 -23.8 50 54 A G S S- 0 0 10 -23,-2.2 2,-0.3 -2,-0.6 3,-0.2 -0.946 90.1 -54.9 145.6-161.1 26.0 2.7 -22.0 51 55 A N S S+ 0 0 60 -2,-0.3 22,-2.3 -23,-0.2 -21,-0.2 -0.871 100.5 12.6-117.8 149.9 28.8 5.3 -22.7 52 56 A N S S+ 0 0 72 -23,-2.5 2,-0.3 -2,-0.3 -21,-0.2 0.812 79.1 157.5 61.9 35.5 32.3 5.1 -24.3 53 57 A I - 0 0 0 -24,-0.3 -21,-2.6 -3,-0.2 2,-0.4 -0.689 26.7-153.0 -91.3 144.1 31.9 1.6 -25.6 54 58 A T E -ij 32 75B 51 20,-2.4 22,-2.1 -2,-0.3 2,-0.4 -0.970 13.9-178.6-121.0 132.2 34.0 0.2 -28.5 55 59 A L E +ij 33 76B 4 -23,-2.5 -21,-2.9 -2,-0.4 2,-0.5 -0.996 9.1 179.2-121.6 122.7 33.1 -2.5 -31.1 56 60 A F E +ij 34 77B 77 20,-2.5 22,-2.9 -2,-0.4 2,-0.5 -0.970 5.1 175.4-125.8 115.2 35.9 -3.3 -33.6 57 61 A I E -ij 35 78B 1 -23,-2.9 -21,-2.4 -2,-0.5 22,-0.2 -0.986 19.3-149.4-120.3 121.1 35.4 -6.0 -36.2 58 62 A A > - 0 0 10 20,-2.6 3,-0.8 -2,-0.5 -22,-0.4 0.068 37.0 -53.2 -80.2-167.0 38.1 -6.4 -38.8 59 63 A D T 3 S+ 0 0 57 1,-0.2 22,-1.9 -24,-0.1 23,-0.2 -0.340 112.7 12.2 -72.0 148.0 38.0 -7.5 -42.4 60 64 A D T 3 S+ 0 0 56 -23,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.676 80.1 154.4 70.1 23.0 36.4 -10.7 -43.7 61 65 A V < - 0 0 0 -3,-0.8 -21,-2.2 -24,-0.2 2,-0.5 -0.664 26.1-161.6 -85.1 136.1 34.6 -11.5 -40.5 62 66 A E E +op 40 83C 93 20,-2.2 22,-2.6 -2,-0.3 2,-0.4 -0.983 12.8 174.0-123.6 120.2 31.5 -13.7 -40.8 63 67 A I E -op 41 84C 4 -23,-3.0 -21,-2.7 -2,-0.5 2,-0.4 -0.990 8.7-175.5-129.6 132.7 29.0 -13.8 -37.9 64 68 A M E S-o 42 0C 88 20,-2.0 -21,-0.2 -2,-0.4 -20,-0.1 -0.924 71.7 -8.5-132.9 108.1 25.6 -15.6 -37.9 65 69 A G S S+ 0 0 15 -23,-2.3 22,-1.8 -2,-0.4 2,-0.3 0.829 76.5 166.9 81.9 35.0 23.3 -15.3 -34.9 66 70 A L E - d 0 87A 3 -24,-0.4 -21,-3.1 20,-0.2 2,-0.6 -0.654 21.9-160.6 -77.8 131.6 25.5 -13.5 -32.4 67 71 A V E +cd 45 88A 81 20,-2.7 22,-2.2 -2,-0.3 2,-0.4 -0.979 22.1 179.0-111.8 113.4 23.7 -12.1 -29.3 68 72 A C E -cd 46 89A 2 -23,-2.9 -21,-2.8 -2,-0.6 2,-0.5 -0.971 17.6-173.0-128.7 131.1 26.0 -9.5 -27.9 69 73 A S E +cd 47 90A 30 20,-2.4 22,-2.8 -2,-0.4 2,-0.4 -0.979 6.6 179.4-127.2 117.8 25.7 -7.2 -24.9 70 74 A L E -cd 48 91A 0 -23,-2.7 -21,-2.7 -2,-0.5 22,-0.2 -0.956 7.9-163.0-118.2 136.3 28.2 -4.5 -24.1 71 75 A H > - 0 0 62 20,-1.1 3,-1.6 -2,-0.4 -21,-0.2 -0.448 45.7 -41.7-110.9 179.1 28.0 -2.1 -21.1 72 76 A S T 3 S+ 0 0 32 -23,-0.4 22,-0.5 1,-0.2 -1,-0.2 -0.118 122.6 0.3 -47.0 135.1 29.7 1.3 -20.4 73 77 A D T 3 S+ 0 0 60 -22,-2.3 -1,-0.2 1,-0.2 2,-0.2 0.655 98.0 135.1 68.4 15.3 33.4 1.5 -21.2 74 78 A C < - 0 0 0 -3,-1.6 -20,-2.4 -23,-0.2 2,-0.4 -0.592 38.5-153.8 -95.5 162.9 33.6 -2.0 -22.5 75 79 A S E -jk 54 96B 35 20,-1.8 22,-2.4 -2,-0.2 2,-0.4 -0.999 12.2-172.0-142.8 136.4 35.4 -3.2 -25.6 76 80 A L E -jk 55 97B 1 -22,-2.1 -20,-2.5 -2,-0.4 2,-0.4 -0.996 9.5-176.8-127.1 126.5 35.0 -6.1 -28.0 77 81 A Q E -jk 56 98B 82 20,-2.0 22,-2.6 -2,-0.4 2,-0.5 -0.992 4.7-176.3-126.0 126.6 37.6 -6.7 -30.7 78 82 A I E -jk 57 99B 0 -22,-2.9 -20,-2.6 -2,-0.4 22,-0.2 -0.978 19.3-143.6-123.8 120.9 37.3 -9.4 -33.4 79 83 A Q > - 0 0 58 20,-2.3 3,-1.3 -2,-0.5 24,-0.2 -0.263 35.0 -56.2 -93.6 175.7 40.2 -9.8 -35.8 80 84 A A T 3 S+ 0 0 25 1,-0.2 22,-2.4 21,-0.2 -20,-0.2 -0.033 110.6 5.7 -63.4 142.7 40.3 -10.7 -39.5 81 85 A K T 3 S+ 0 0 121 -22,-1.9 -1,-0.2 1,-0.3 -21,-0.1 0.458 84.2 147.2 76.2 6.1 38.9 -13.8 -41.1 82 86 A T < - 0 0 0 -3,-1.3 -20,-2.2 -23,-0.2 2,-0.4 -0.439 31.5-157.6 -72.6 142.9 37.2 -15.0 -37.9 83 87 A T E -pq 62 104C 32 20,-2.6 22,-2.7 -22,-0.2 2,-0.4 -0.972 10.2-176.2-124.1 142.2 33.9 -16.9 -38.3 84 88 A M E -pq 63 105C 7 -22,-2.6 -20,-2.0 -2,-0.4 22,-0.2 -0.994 8.8-163.0-142.5 130.2 31.2 -17.3 -35.7 85 89 A G - 0 0 9 20,-2.5 -21,-0.2 -2,-0.4 2,-0.1 0.093 59.2 -32.8 -85.0-155.0 28.0 -19.2 -35.6 86 90 A N S S+ 0 0 77 -20,-0.1 22,-1.9 -23,-0.1 23,-0.9 -0.398 86.3 113.6 -65.8 139.2 25.1 -18.7 -33.1 87 91 A G E -de 66 109A 14 -22,-1.8 -20,-2.7 21,-0.2 2,-0.4 -0.991 53.5 -96.1 177.0-172.0 26.2 -17.6 -29.7 88 92 A E E -de 67 110A 50 21,-2.2 23,-2.5 -2,-0.3 2,-0.4 -0.982 19.1-176.0-134.8 134.3 26.4 -15.1 -26.9 89 93 A I E -de 68 111A 0 -22,-2.2 -20,-2.4 -2,-0.4 2,-0.4 -0.999 8.2-177.3-128.1 130.1 29.0 -12.5 -25.8 90 94 A T E +de 69 112A 11 21,-2.3 23,-1.4 -2,-0.4 2,-0.4 -0.995 2.1 179.2-132.1 126.8 28.6 -10.5 -22.6 91 95 A I E +d 70 0A 0 -22,-2.8 -20,-1.1 -2,-0.4 2,-0.2 -0.997 16.0 143.0-131.7 127.4 31.0 -7.8 -21.4 92 96 A A > + 0 0 4 -2,-0.4 3,-1.5 -22,-0.2 -2,-0.0 -0.785 41.4 65.7-141.2-168.3 30.5 -5.7 -18.4 93 97 A E T 3 S- 0 0 55 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.813 120.6 -71.5 55.7 32.7 32.5 -4.1 -15.6 94 98 A K T 3 S+ 0 0 133 -22,-0.5 -1,-0.3 1,-0.1 -21,-0.1 0.765 101.1 138.9 56.3 35.7 34.3 -1.8 -18.0 95 99 A G < - 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