==== 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 2WLD . 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) . 27218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 78.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 249 39.4 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 . 73 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 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 RESIDUES PER ALPHA HELIX . 3 20 11 19 6 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 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 0 108 0, 0.0 2,-0.3 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 -62.7 23.2 -1.8 -38.8 2 6 A Y + 0 0 126 20,-0.1 23,-0.2 23,-0.0 2,-0.0 -0.969 360.0 159.8-150.4 147.1 21.8 0.9 -36.5 3 7 A S E -a 25 0A 61 21,-0.8 23,-1.1 -2,-0.3 2,-0.7 -0.671 46.1-180.0-129.9 74.1 19.1 2.0 -34.1 4 8 A E E +a 26 0A 77 21,-0.2 2,-0.5 23,-0.1 23,-0.2 -0.703 10.1 173.3 -97.1 110.6 21.6 4.6 -32.7 5 9 A Q E +a 27 0A 129 21,-3.0 23,-2.3 -2,-0.7 2,-0.3 -0.936 38.5 36.1-125.2 118.1 20.4 6.9 -29.8 6 10 A G S S- 0 0 41 -2,-0.5 2,-0.4 21,-0.2 3,-0.3 -0.947 85.6 -39.7 145.7-161.4 22.5 9.4 -27.9 7 11 A I S S- 0 0 108 -2,-0.3 23,-2.8 1,-0.2 24,-0.2 -0.851 103.1 -7.1-109.2 133.1 25.4 11.9 -28.3 8 12 A N S S+ 0 0 122 -2,-0.4 2,-0.4 21,-0.2 -1,-0.2 0.850 73.9 162.1 58.3 45.7 28.6 11.5 -30.4 9 13 A N - 0 0 25 -3,-0.3 2,-0.5 21,-0.2 -1,-0.2 -0.759 23.4-155.4 -88.4 137.1 28.4 8.0 -31.5 10 14 A T E +h 32 0B 91 21,-2.9 23,-2.6 -2,-0.4 2,-0.5 -0.966 12.6 179.9-117.6 124.2 30.5 7.0 -34.5 11 15 A I E +h 33 0B 28 -2,-0.5 2,-0.6 21,-0.2 23,-0.2 -0.963 2.5 176.4-126.3 109.5 29.5 4.0 -36.6 12 16 A N E +h 34 0B 91 21,-3.2 23,-2.7 -2,-0.5 2,-0.5 -0.913 7.0 167.8-116.2 104.1 31.8 3.1 -39.5 13 17 A I E -h 35 0B 27 -2,-0.6 23,-0.2 21,-0.2 24,-0.1 -0.968 39.6-112.8-118.2 122.2 30.6 0.0 -41.3 14 18 A S > - 0 0 17 21,-2.3 3,-2.1 -2,-0.5 25,-0.1 -0.235 14.5-131.8 -58.3 138.0 32.3 -0.7 -44.6 15 19 A T T 3 S+ 0 0 148 1,-0.3 -1,-0.2 23,-0.0 21,-0.1 0.599 107.2 62.3 -63.7 -12.9 29.9 -0.4 -47.6 16 20 A T T 3 S+ 0 0 66 2,-0.1 2,-0.4 20,-0.0 -1,-0.3 0.322 86.6 95.3 -94.2 8.5 31.3 -3.8 -48.7 17 21 A S < - 0 0 15 -3,-2.1 2,-0.4 21,-0.2 23,-0.2 -0.811 69.0-136.8-104.6 140.1 30.0 -5.5 -45.6 18 22 A L B +n 40 0C 89 21,-2.7 23,-2.8 -2,-0.4 -2,-0.1 -0.793 22.2 174.3 -92.9 136.7 26.7 -7.4 -45.4 19 23 A T > + 0 0 31 -2,-0.4 3,-2.0 21,-0.2 24,-0.1 0.052 17.5 168.2-129.6 22.3 24.5 -6.8 -42.3 20 24 A N T 3 - 0 0 99 1,-0.3 23,-1.9 22,-0.1 24,-0.2 -0.077 69.4 -4.6 -44.1 122.7 21.4 -8.8 -43.3 21 25 A A T 3 S+ 0 0 83 1,-0.2 2,-0.5 21,-0.2 -1,-0.3 0.657 99.4 139.7 71.4 14.3 18.9 -9.4 -40.4 22 26 A T < - 0 0 19 -3,-2.0 2,-0.6 21,-0.2 -1,-0.2 -0.795 42.9-154.0-101.1 130.7 21.2 -7.8 -37.9 23 27 A Q E - b 0 45A 94 21,-2.6 23,-3.2 -2,-0.5 2,-0.5 -0.881 12.6-178.1 -97.3 119.5 20.1 -5.5 -35.1 24 28 A L E - b 0 46A 5 -2,-0.6 -21,-0.8 21,-0.2 2,-0.5 -0.995 7.9-177.0-114.0 123.4 22.8 -3.1 -34.0 25 29 A T E -ab 3 47A 15 21,-3.0 23,-2.9 -2,-0.5 2,-0.5 -0.982 9.9-176.4-127.2 129.9 21.6 -1.0 -31.2 26 30 A V E +ab 4 48A 1 -23,-1.1 -21,-3.0 -2,-0.5 2,-0.5 -0.966 5.2 175.7-131.5 110.5 23.7 1.7 -29.6 27 31 A I E +ab 5 49A 42 21,-2.9 23,-2.5 -2,-0.5 2,-0.3 -0.922 50.1 28.6-123.0 107.9 22.1 3.5 -26.6 28 32 A G S S- 0 0 13 -23,-2.3 2,-0.3 -2,-0.5 23,-0.2 -0.967 85.9 -52.6 139.3-161.6 24.3 6.0 -24.8 29 33 A N S S+ 0 0 57 -2,-0.3 23,-2.4 -23,-0.2 24,-0.3 -0.861 95.8 7.7-123.9 147.7 27.2 8.5 -25.6 30 34 A N S S+ 0 0 85 -23,-2.8 2,-0.3 -2,-0.3 -21,-0.2 0.817 78.0 152.7 60.4 32.5 30.6 8.5 -27.3 31 35 A N - 0 0 2 -24,-0.2 -21,-2.9 21,-0.2 2,-0.4 -0.691 27.1-158.1 -90.8 147.7 30.4 4.9 -28.5 32 36 A S E -hi 10 54B 53 21,-2.7 23,-2.2 -2,-0.3 2,-0.4 -0.993 9.5-173.3-135.9 135.5 32.4 3.8 -31.6 33 37 A V E -hi 11 55B 4 -23,-2.6 -21,-3.2 -2,-0.4 2,-0.4 -0.994 2.4-176.8-126.3 127.5 31.8 0.9 -33.9 34 38 A Y E +hi 12 56B 78 21,-2.9 23,-3.0 -2,-0.4 2,-0.4 -0.994 4.2 175.6-123.9 125.8 34.2 -0.1 -36.7 35 39 A I E -hi 13 57B 5 -23,-2.7 -21,-2.3 -2,-0.4 23,-0.2 -0.989 20.3-149.3-126.5 126.1 33.4 -3.0 -39.1 36 40 A G > - 0 0 0 21,-2.4 3,-0.6 -2,-0.4 -22,-0.3 0.220 32.7 -45.8 -83.7-153.8 35.9 -3.6 -41.9 37 41 A N T 3 S+ 0 0 63 1,-0.2 23,-2.6 -24,-0.1 24,-0.2 -0.380 108.3 3.8 -87.8 144.4 35.7 -4.9 -45.4 38 42 A N T 3 S+ 0 0 92 1,-0.2 -1,-0.2 21,-0.2 2,-0.2 0.830 84.2 153.8 60.0 34.5 34.0 -7.9 -46.8 39 43 A C < - 0 0 1 -3,-0.6 -21,-2.7 21,-0.2 2,-0.4 -0.621 35.2-153.5 -88.5 158.8 32.4 -8.9 -43.5 40 44 A K E +no 18 62C 108 21,-2.3 23,-3.1 -2,-0.2 2,-0.6 -0.900 20.6 168.8-132.1 98.1 29.1 -10.9 -43.2 41 45 A I E + o 0 63C 2 -23,-2.8 2,-0.3 -2,-0.4 23,-0.2 -0.897 18.4 162.7-114.8 98.8 27.4 -10.1 -40.0 42 46 A V E + o 0 64C 25 21,-2.8 23,-2.4 -2,-0.6 24,-0.4 -0.851 50.1 4.9-126.7 156.1 23.9 -11.6 -40.1 43 47 A S S S+ 0 0 70 -23,-1.9 -21,-0.2 -2,-0.3 2,-0.2 0.746 93.3 134.8 48.5 28.7 21.0 -12.5 -37.9 44 48 A S - 0 0 5 -24,-0.2 -21,-2.6 21,-0.2 2,-0.4 -0.572 50.1-147.7-102.7 166.9 22.9 -11.1 -35.0 45 49 A N E -bc 23 67A 62 21,-3.4 23,-2.8 -23,-0.2 2,-0.6 -0.882 18.2-179.7-139.2 101.8 21.9 -8.8 -32.2 46 50 A I E -bc 24 68A 5 -23,-3.2 -21,-3.0 -2,-0.4 2,-0.5 -0.926 2.8-174.5-112.3 114.7 24.5 -6.5 -31.0 47 51 A R E -bc 25 69A 86 21,-3.3 23,-2.8 -2,-0.6 2,-0.7 -0.954 11.7-174.9-117.0 119.5 23.7 -4.1 -28.1 48 52 A L E +bc 26 70A 1 -23,-2.9 -21,-2.9 -2,-0.5 2,-0.5 -0.960 15.2 175.2-104.4 108.5 26.0 -1.4 -26.9 49 53 A K E +b 27 0A 111 21,-2.9 23,-0.4 -2,-0.7 2,-0.3 -0.954 46.7 26.9-122.2 114.4 24.3 0.1 -23.9 50 54 A G S S- 0 0 13 -23,-2.5 2,-0.3 -2,-0.5 3,-0.2 -0.931 90.0 -54.5 133.1-164.6 26.3 2.7 -22.0 51 55 A N S S+ 0 0 57 -2,-0.3 22,-2.6 -23,-0.2 -21,-0.2 -0.871 101.0 13.3-120.2 147.7 29.0 5.2 -22.7 52 56 A N S S+ 0 0 76 -23,-2.4 2,-0.3 -2,-0.3 -21,-0.2 0.805 78.9 157.2 67.3 32.8 32.5 5.1 -24.3 53 57 A I - 0 0 0 -24,-0.3 -21,-2.7 -3,-0.2 2,-0.4 -0.657 25.3-156.7 -88.6 143.7 32.1 1.5 -25.7 54 58 A T E -ij 32 75B 51 20,-2.4 22,-2.1 -2,-0.3 2,-0.4 -0.984 12.6-177.5-127.1 134.0 34.2 0.2 -28.6 55 59 A L E -ij 33 76B 4 -23,-2.2 -21,-2.9 -2,-0.4 2,-0.5 -0.991 8.0-177.8-123.9 122.0 33.5 -2.5 -31.0 56 60 A F E +ij 34 77B 77 20,-2.8 22,-2.7 -2,-0.4 2,-0.5 -0.977 4.9 176.5-125.3 116.9 36.1 -3.3 -33.6 57 61 A I E -ij 35 78B 1 -23,-3.0 -21,-2.4 -2,-0.5 22,-0.2 -0.987 18.4-150.1-120.3 120.9 35.6 -6.0 -36.2 58 62 A A > - 0 0 7 20,-2.6 3,-0.7 -2,-0.5 -22,-0.4 0.029 36.0 -55.4 -79.2-166.5 38.3 -6.4 -38.8 59 63 A D T 3 S+ 0 0 56 1,-0.2 22,-2.0 -24,-0.1 23,-0.3 -0.353 112.1 13.7 -73.1 148.8 38.2 -7.5 -42.4 60 64 A D T 3 S+ 0 0 59 -23,-2.6 2,-0.4 1,-0.2 -1,-0.2 0.719 80.9 154.0 63.2 25.1 36.7 -10.8 -43.7 61 65 A V < - 0 0 0 -3,-0.7 -21,-2.3 -24,-0.2 2,-0.5 -0.693 26.5-161.7 -82.8 137.2 34.9 -11.6 -40.4 62 66 A E E +op 40 83C 92 20,-2.3 22,-2.8 -2,-0.4 2,-0.4 -0.984 13.0 173.0-125.0 124.4 31.8 -13.8 -40.7 63 67 A I E -op 41 84C 3 -23,-3.1 -21,-2.8 -2,-0.5 2,-0.4 -0.998 9.3-175.9-137.6 127.3 29.2 -13.9 -37.9 64 68 A M E S-o 42 0C 107 20,-1.9 -21,-0.2 -2,-0.4 -20,-0.1 -0.945 71.5 -8.7-129.6 110.4 25.9 -15.6 -37.9 65 69 A G S S+ 0 0 15 -23,-2.4 22,-2.1 -2,-0.4 2,-0.4 0.889 76.3 166.3 74.7 41.3 23.5 -15.3 -34.9 66 70 A L E - d 0 87A 2 -24,-0.4 -21,-3.4 20,-0.3 2,-0.6 -0.765 23.0-159.6 -84.0 129.5 25.7 -13.5 -32.3 67 71 A V E -cd 45 88A 76 20,-2.9 22,-2.2 -2,-0.4 2,-0.5 -0.977 21.6-179.0-106.3 112.5 23.9 -12.1 -29.3 68 72 A C E -cd 46 89A 2 -23,-2.8 -21,-3.3 -2,-0.6 2,-0.5 -0.968 15.6-173.7-126.1 123.8 26.3 -9.5 -27.9 69 73 A S E +cd 47 90A 34 20,-2.5 22,-2.6 -2,-0.5 2,-0.4 -0.976 7.2 178.5-119.7 120.5 25.9 -7.3 -24.9 70 74 A L E -cd 48 91A 0 -23,-2.8 -21,-2.9 -2,-0.5 2,-0.2 -0.974 8.0-161.7-120.3 137.6 28.4 -4.5 -24.0 71 75 A H > - 0 0 63 20,-1.2 3,-1.8 -2,-0.4 -21,-0.2 -0.477 45.2 -45.6-109.3-179.5 28.2 -2.1 -21.1 72 76 A S T 3 S+ 0 0 33 -23,-0.4 22,-0.5 1,-0.3 -20,-0.2 -0.090 122.1 3.9 -52.1 136.3 29.9 1.3 -20.5 73 77 A D T 3 S+ 0 0 63 -22,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.557 98.1 134.3 69.2 11.6 33.7 1.5 -21.1 74 78 A C < - 0 0 0 -3,-1.8 -20,-2.4 -23,-0.2 2,-0.3 -0.473 38.3-157.5 -88.7 162.5 33.8 -2.0 -22.5 75 79 A S E -jk 54 96B 34 20,-1.6 22,-2.3 -22,-0.2 2,-0.4 -0.995 10.8-172.0-146.0 133.4 35.6 -3.2 -25.7 76 80 A L E -jk 55 97B 1 -22,-2.1 -20,-2.8 -2,-0.3 2,-0.4 -0.997 9.6-176.8-125.9 129.8 35.2 -6.1 -28.0 77 81 A Q E -jk 56 98B 86 20,-1.9 22,-3.1 -2,-0.4 2,-0.4 -0.996 6.2-175.8-130.3 130.6 37.7 -6.7 -30.7 78 82 A I E -jk 57 99B 0 -22,-2.7 -20,-2.6 -2,-0.4 22,-0.2 -0.979 20.0-142.5-129.1 116.4 37.5 -9.4 -33.4 79 83 A Q > - 0 0 62 20,-2.6 3,-1.3 -2,-0.4 24,-0.2 -0.210 37.0 -54.9 -86.1 172.3 40.5 -9.8 -35.8 80 84 A A T 3 S+ 0 0 23 1,-0.2 22,-2.7 21,-0.2 -20,-0.2 0.022 111.1 5.0 -55.0 139.2 40.6 -10.6 -39.5 81 85 A K T 3 S+ 0 0 121 -22,-2.0 -1,-0.2 1,-0.2 -20,-0.1 0.445 83.6 147.6 75.8 6.5 39.1 -13.8 -41.0 82 86 A T < - 0 0 0 -3,-1.3 -20,-2.3 -23,-0.3 2,-0.4 -0.429 31.2-157.4 -72.5 144.8 37.5 -15.0 -37.9 83 87 A T E -pq 62 104C 27 20,-2.6 22,-3.1 -22,-0.2 2,-0.4 -0.975 10.8-177.9-126.4 140.8 34.2 -16.9 -38.3 84 88 A M E -pq 63 105C 8 -22,-2.8 -20,-1.9 -2,-0.4 22,-0.2 -0.998 9.2-162.4-140.8 134.3 31.5 -17.4 -35.6 85 89 A G - 0 0 21 20,-2.8 -21,-0.2 -2,-0.4 2,-0.1 0.011 59.4 -31.8 -90.5-154.8 28.2 -19.3 -35.6 86 90 A N S S+ 0 0 66 -20,-0.1 22,-2.1 -23,-0.1 23,-0.9 -0.357 87.1 106.3 -62.4 139.6 25.4 -18.7 -33.1 87 91 A G E -de 66 109A 15 -22,-2.1 -20,-2.9 21,-0.2 2,-0.4 -0.990 54.5 -89.2 170.4-168.9 26.4 -17.7 -29.6 88 92 A E E -de 67 110A 52 21,-2.0 23,-2.4 -2,-0.3 2,-0.4 -0.980 17.7-175.5-138.5 132.6 26.8 -15.1 -26.9 89 93 A I E -de 68 111A 0 -22,-2.2 -20,-2.5 -2,-0.4 2,-0.4 -1.000 9.1-175.8-129.6 129.6 29.3 -12.5 -25.7 90 94 A T E -de 69 112A 12 21,-2.1 23,-1.4 -2,-0.4 2,-0.4 -0.997 1.9-179.7-129.2 124.2 28.8 -10.5 -22.6 91 95 A I E +d 70 0A 0 -22,-2.6 -20,-1.2 -2,-0.4 2,-0.2 -0.995 16.6 141.4-126.2 128.3 31.1 -7.7 -21.5 92 96 A A > + 0 0 4 -2,-0.4 3,-1.3 -22,-0.2 -2,-0.0 -0.818 40.7 65.3-143.1-169.4 30.7 -5.7 -18.3 93 97 A E T 3 S- 0 0 55 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.844 120.1 -71.8 54.5 36.7 32.8 -4.1 -15.5 94 98 A K T 3 S+ 0 0 136 -22,-0.5 -1,-0.3 1,-0.1 -21,-0.1 0.799 101.7 136.4 55.0 34.2 34.5 -1.7 -18.0 95 99 A G < - 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