==== 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 2WLC . 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 . 211 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11394.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 37.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 22 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 8 3 6 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 1 1 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 4 A H 0 0 102 0, 0.0 2,-0.3 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0 125.0 -3.3 32.1 -6.2 2 5 A M + 0 0 181 18,-0.1 23,-0.3 2,-0.0 2,-0.3 -0.778 360.0 151.6-106.3 149.2 -1.1 30.7 -3.4 3 6 A Y - 0 0 91 -2,-0.3 2,-0.5 21,-0.1 23,-0.2 -0.945 41.9-103.2-159.9 167.1 2.5 31.7 -2.6 4 7 A S E -a 26 0A 56 21,-1.9 23,-2.7 -2,-0.3 2,-0.4 -0.938 31.0-174.9-104.3 126.3 4.9 31.9 0.3 5 8 A E E +a 27 0A 84 -2,-0.5 2,-0.4 21,-0.2 23,-0.2 -0.981 11.1 177.5-112.0 137.3 5.7 35.3 2.0 6 9 A Q E +a 28 0A 139 21,-2.7 23,-2.6 -2,-0.4 2,-0.2 -0.887 63.9 28.2-130.4 101.5 8.3 35.8 4.8 7 10 A G S S- 0 0 33 -2,-0.4 2,-0.2 21,-0.2 23,-0.2 -0.816 80.1 -89.8 137.3-176.9 8.3 39.5 5.6 8 11 A I S S+ 0 0 99 -2,-0.2 23,-2.2 1,-0.1 24,-0.2 -0.790 84.2 39.6-135.5 168.7 6.0 42.5 5.5 9 12 A N S S+ 0 0 118 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.712 75.8 146.0 62.1 25.8 4.8 45.4 3.4 10 13 A N - 0 0 18 21,-0.2 2,-0.5 -3,-0.2 -1,-0.2 -0.627 37.3-154.5 -87.4 148.8 4.7 43.2 0.4 11 14 A T E -h 33 0B 68 21,-2.6 23,-3.2 -2,-0.3 2,-0.6 -0.972 10.4-176.6-127.9 115.6 2.1 43.6 -2.3 12 15 A I E +h 34 0B 27 -2,-0.5 2,-0.7 21,-0.2 23,-0.2 -0.912 6.1 176.7-115.1 101.3 1.1 40.6 -4.4 13 16 A N E +h 35 0B 95 21,-3.0 23,-2.6 -2,-0.6 2,-0.6 -0.879 5.6 166.8-113.3 95.8 -1.4 41.7 -7.1 14 17 A I E -h 36 0B 29 -2,-0.7 23,-0.2 21,-0.2 24,-0.1 -0.960 38.1-117.4-117.2 118.1 -2.3 38.8 -9.4 15 18 A S > - 0 0 20 21,-2.4 3,-1.8 -2,-0.6 25,-0.1 -0.165 13.2-129.7 -58.7 142.6 -5.3 39.3 -11.6 16 19 A T T 3 S+ 0 0 136 1,-0.3 -1,-0.1 23,-0.0 22,-0.1 0.622 107.3 59.8 -69.8 -12.1 -8.2 37.0 -11.0 17 20 A T T 3 S+ 0 0 67 2,-0.0 -1,-0.3 20,-0.0 2,-0.3 0.374 91.2 89.5 -94.1 3.7 -8.3 36.3 -14.8 18 21 A S < - 0 0 2 -3,-1.8 2,-0.4 21,-0.2 23,-0.2 -0.695 66.7-140.1-104.2 154.5 -4.7 34.9 -14.8 19 22 A L B +n 41 0C 93 21,-2.7 23,-3.0 -2,-0.3 -4,-0.1 -0.926 20.9 173.0-114.3 138.2 -3.5 31.4 -14.3 20 23 A T > + 0 0 28 -2,-0.4 3,-2.0 21,-0.2 25,-0.1 -0.071 18.7 169.4-130.6 33.9 -0.4 30.3 -12.3 21 24 A N T 3 S+ 0 0 88 1,-0.3 23,-2.2 22,-0.1 24,-0.2 -0.198 70.7 1.7 -60.6 138.0 -0.6 26.5 -12.2 22 25 A A T 3 S+ 0 0 80 1,-0.2 2,-0.4 21,-0.2 -1,-0.3 0.590 99.5 133.1 63.7 15.0 2.4 24.7 -11.0 23 26 A T < - 0 0 27 -3,-2.0 2,-0.5 21,-0.2 -1,-0.2 -0.818 44.8-153.8 -97.9 134.0 4.2 28.0 -10.4 24 27 A Q E - b 0 46A 83 21,-2.3 23,-2.8 -2,-0.4 2,-0.5 -0.951 11.3-175.0-102.5 118.0 6.0 28.7 -7.1 25 28 A L E - b 0 47A 11 -2,-0.5 -21,-1.9 -23,-0.3 2,-0.4 -0.984 5.9-175.3-113.8 120.6 6.3 32.4 -6.1 26 29 A T E -ab 4 48A 20 21,-2.6 23,-2.9 -2,-0.5 2,-0.5 -0.971 8.7-171.6-121.0 129.2 8.4 33.0 -3.0 27 30 A V E +ab 5 49A 1 -23,-2.7 -21,-2.7 -2,-0.4 2,-0.6 -0.971 7.6 174.3-124.3 114.2 8.8 36.4 -1.4 28 31 A I E +ab 6 50A 33 21,-2.9 23,-2.6 -2,-0.5 2,-0.3 -0.921 53.1 27.1-125.5 101.8 11.4 36.6 1.4 29 32 A G S S- 0 0 13 -23,-2.6 2,-0.3 -2,-0.6 23,-0.2 -0.915 85.7 -61.7 140.2-167.3 11.9 40.2 2.6 30 33 A N S S+ 0 0 63 -2,-0.3 23,-1.9 -23,-0.2 24,-0.3 -0.853 94.5 14.7-121.8 155.6 10.1 43.5 2.9 31 34 A N S S+ 0 0 92 -23,-2.2 2,-0.3 -2,-0.3 -21,-0.2 0.832 78.3 152.3 57.8 38.4 8.5 46.1 0.6 32 35 A N - 0 0 2 -24,-0.2 -21,-2.6 21,-0.2 2,-0.4 -0.713 29.7-152.7 -99.5 149.9 8.4 43.9 -2.4 33 36 A S E -hi 11 55B 39 21,-2.9 23,-2.7 -2,-0.3 2,-0.4 -0.985 12.6-177.2-131.2 132.8 5.8 44.2 -5.2 34 37 A V E +hi 12 56B 1 -23,-3.2 -21,-3.0 -2,-0.4 2,-0.4 -0.994 4.6 179.9-126.5 129.4 4.4 41.7 -7.7 35 38 A Y E +hi 13 57B 83 21,-2.2 23,-2.7 -2,-0.4 2,-0.4 -0.996 4.5 178.9-129.6 125.2 1.9 42.6 -10.4 36 39 A I E -hi 14 58B 6 -23,-2.6 -21,-2.4 -2,-0.4 23,-0.2 -0.993 22.1-145.1-125.2 120.5 0.6 40.1 -12.9 37 40 A G > - 0 0 0 21,-2.4 3,-0.7 -2,-0.4 -22,-0.2 0.141 33.6 -55.1 -76.8-168.6 -2.0 41.5 -15.3 38 41 A N T 3 S+ 0 0 59 1,-0.2 23,-2.6 -24,-0.1 24,-0.2 -0.371 110.5 7.5 -76.3 148.0 -5.1 40.1 -16.9 39 42 A N T 3 S+ 0 0 96 21,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.798 86.1 151.9 57.0 33.8 -5.3 36.9 -18.9 40 43 A C < - 0 0 1 -3,-0.7 -21,-2.7 21,-0.2 2,-0.4 -0.606 36.1-155.0 -86.6 154.9 -1.8 35.8 -18.2 41 44 A K E +no 19 63C 108 21,-2.2 23,-3.0 -2,-0.2 2,-0.7 -0.898 16.9 173.4-129.6 100.8 -0.6 32.2 -18.1 42 45 A I E + o 0 64C 0 -23,-3.0 2,-0.3 -2,-0.4 3,-0.3 -0.867 21.7 176.0-112.7 95.0 2.4 31.8 -15.8 43 46 A V E - o 0 65C 19 21,-3.2 23,-2.6 -2,-0.7 24,-0.4 -0.762 46.9 -6.2-118.5 147.6 3.0 28.1 -15.7 44 47 A S S S+ 0 0 64 -23,-2.2 2,-0.2 -2,-0.3 -21,-0.2 0.786 93.0 138.9 46.2 39.8 5.5 25.6 -14.2 45 48 A S - 0 0 5 -3,-0.3 -21,-2.3 -24,-0.2 2,-0.4 -0.675 48.9-146.1-113.6 163.5 7.7 28.5 -13.2 46 49 A N E +bc 24 68A 77 21,-2.8 23,-2.8 -2,-0.2 2,-0.5 -0.942 19.7 179.0-134.3 110.1 9.8 29.2 -10.1 47 50 A I E -bc 25 69A 5 -23,-2.8 -21,-2.6 -2,-0.4 2,-0.5 -0.954 3.1-174.6-121.5 118.9 10.1 32.9 -9.1 48 51 A R E -bc 26 70A 97 21,-2.7 23,-2.7 -2,-0.5 2,-0.7 -0.967 10.6-173.3-123.9 119.4 12.0 33.9 -6.1 49 52 A L E +bc 27 71A 0 -23,-2.9 -21,-2.9 -2,-0.5 2,-0.6 -0.950 13.8 173.8-109.5 106.9 12.2 37.5 -4.7 50 53 A K E +b 28 0A 96 21,-2.6 23,-0.4 -2,-0.7 2,-0.3 -0.938 48.1 30.1-122.9 105.3 14.8 37.5 -1.9 51 54 A G S S- 0 0 13 -23,-2.6 2,-0.3 -2,-0.6 3,-0.2 -0.945 88.8 -62.3 144.0-166.4 15.5 40.9 -0.5 52 55 A N S S+ 0 0 64 -2,-0.3 22,-2.6 -23,-0.2 -21,-0.2 -0.873 101.0 19.0-117.4 154.1 13.8 44.2 -0.1 53 56 A N S S+ 0 0 69 -23,-1.9 2,-0.3 -2,-0.3 -21,-0.2 0.793 78.6 159.4 64.2 33.2 12.2 46.7 -2.5 54 57 A I - 0 0 1 -24,-0.3 -21,-2.9 -3,-0.2 2,-0.5 -0.645 25.3-155.9 -90.7 143.2 12.0 44.3 -5.4 55 58 A T E +ij 33 76B 54 20,-2.3 22,-2.5 -2,-0.3 2,-0.5 -0.985 13.6 179.1-123.1 126.1 9.6 44.9 -8.3 56 59 A L E -ij 34 77B 4 -23,-2.7 -21,-2.2 -2,-0.5 2,-0.5 -0.994 9.6-179.9-121.0 120.0 8.2 42.3 -10.6 57 60 A F E +ij 35 78B 60 20,-2.7 22,-2.9 -2,-0.5 2,-0.5 -0.982 7.5 174.3-125.0 115.3 5.8 43.6 -13.2 58 61 A I E -ij 36 79B 1 -23,-2.7 -21,-2.4 -2,-0.5 22,-0.2 -0.986 20.4-150.1-121.9 117.5 4.1 41.3 -15.7 59 62 A A > - 0 0 8 20,-2.6 3,-0.7 -2,-0.5 -22,-0.3 -0.013 36.0 -56.0 -78.0-173.7 1.6 43.0 -18.0 60 63 A D T 3 S+ 0 0 61 1,-0.2 22,-1.8 -24,-0.1 23,-0.2 -0.233 112.7 14.3 -64.8 148.7 -1.6 41.7 -19.7 61 64 A D T 3 S+ 0 0 61 -23,-2.6 2,-0.4 1,-0.2 -1,-0.2 0.754 81.1 151.9 66.9 28.5 -1.7 38.6 -21.9 62 65 A V < - 0 0 0 -3,-0.7 -21,-2.2 -24,-0.2 2,-0.5 -0.779 27.8-161.7 -94.2 135.1 1.8 37.3 -21.0 63 66 A E E +op 41 84C 91 20,-2.0 22,-2.4 -2,-0.4 2,-0.4 -0.978 12.2 175.1-122.6 120.2 2.4 33.6 -21.3 64 67 A I E -op 42 85C 3 -23,-3.0 -21,-3.2 -2,-0.5 2,-0.5 -0.986 8.8-173.5-126.3 131.3 5.3 32.0 -19.5 65 68 A M E S-o 43 0C 95 20,-2.3 -21,-0.2 -2,-0.4 -20,-0.1 -0.935 71.2 -10.9-127.8 110.2 6.2 28.3 -19.3 66 69 A G S S+ 0 0 15 -23,-2.6 22,-1.8 -2,-0.5 2,-0.4 0.843 76.5 166.7 80.2 34.0 9.1 27.1 -17.1 67 70 A L E - d 0 88A 3 -24,-0.4 -21,-2.8 20,-0.2 2,-0.6 -0.689 22.0-160.3 -78.1 130.1 10.8 30.3 -16.2 68 71 A V E +cd 46 89A 83 20,-2.5 22,-2.2 -2,-0.4 2,-0.4 -0.977 21.9 177.2-108.3 116.5 13.3 30.1 -13.3 69 72 A C E -cd 47 90A 2 -23,-2.8 -21,-2.7 -2,-0.6 2,-0.4 -0.975 17.9-174.0-131.1 128.1 13.8 33.6 -12.0 70 73 A S E -cd 48 91A 34 20,-2.2 22,-2.6 -2,-0.4 2,-0.4 -0.991 7.0-179.5-122.8 124.8 15.8 35.0 -9.1 71 74 A L E -cd 49 92A 0 -23,-2.7 -21,-2.6 -2,-0.4 22,-0.2 -0.972 6.7-164.4-122.0 136.9 15.6 38.7 -8.0 72 75 A H > - 0 0 72 20,-1.2 3,-1.6 -2,-0.4 -21,-0.2 -0.420 45.7 -38.6-111.9-174.0 17.6 40.2 -5.2 73 76 A S T 3 S- 0 0 37 -23,-0.4 22,-0.6 1,-0.2 -1,-0.2 -0.108 122.8 -0.2 -55.4 137.9 17.2 43.5 -3.3 74 77 A D T 3 S+ 0 0 63 -22,-2.6 -1,-0.2 1,-0.2 2,-0.2 0.632 97.5 137.2 65.8 15.9 16.2 46.7 -5.2 75 78 A C < - 0 0 1 -3,-1.6 -20,-2.3 -23,-0.2 2,-0.4 -0.598 38.4-153.4 -94.9 159.1 16.1 44.8 -8.5 76 79 A S E -jk 55 97B 21 20,-1.9 22,-2.4 -2,-0.2 2,-0.5 -0.998 12.7-174.5-136.1 125.7 13.3 45.1 -11.1 77 80 A L E -jk 56 98B 0 -22,-2.5 -20,-2.7 -2,-0.4 2,-0.4 -0.996 11.6-178.9-119.0 124.7 11.9 42.8 -13.8 78 81 A Q E -jk 57 99B 56 20,-2.0 22,-2.9 -2,-0.5 2,-0.5 -0.995 5.8-177.5-126.1 125.8 9.4 44.2 -16.1 79 82 A I E -jk 58 100B 0 -22,-2.9 -20,-2.6 -2,-0.4 22,-0.2 -0.985 19.3-142.2-127.0 117.5 7.7 42.2 -18.9 80 83 A Q > - 0 0 57 20,-2.3 3,-1.3 -2,-0.5 23,-0.2 -0.210 35.5 -58.3 -87.8 172.0 5.3 44.0 -21.2 81 84 A A T 3 S+ 0 0 26 1,-0.2 22,-2.3 21,-0.2 -20,-0.2 -0.060 110.4 7.2 -60.1 143.8 2.1 42.9 -22.8 82 85 A K T 3 S+ 0 0 123 -22,-1.8 -1,-0.2 1,-0.3 -20,-0.1 0.431 84.3 146.3 72.7 5.1 1.6 39.9 -25.1 83 86 A T < - 0 0 0 -3,-1.3 -20,-2.0 -23,-0.2 2,-0.4 -0.454 32.7-157.0 -68.8 140.7 5.1 38.6 -24.6 84 87 A T E -pq 63 105C 32 20,-2.5 22,-2.6 -22,-0.2 2,-0.4 -0.955 10.4-176.3-120.7 144.7 5.6 34.8 -24.6 85 88 A M E -pq 64 106C 7 -22,-2.4 -20,-2.3 -2,-0.4 22,-0.2 -0.990 7.7-162.8-143.8 129.0 8.4 32.9 -23.0 86 89 A G - 0 0 21 20,-2.6 -21,-0.2 -2,-0.4 2,-0.1 0.055 58.8 -32.8 -88.4-155.6 9.3 29.2 -23.0 87 90 A N S S+ 0 0 71 -20,-0.1 22,-2.8 -23,-0.1 23,-0.8 -0.373 86.8 114.0 -65.7 140.8 11.6 27.5 -20.6 88 91 A G E -de 67 110A 8 -22,-1.8 -20,-2.5 21,-0.2 2,-0.4 -0.989 53.6 -96.1 175.7-175.2 14.6 29.7 -19.4 89 92 A E E -de 68 111A 107 21,-2.3 23,-2.6 -2,-0.3 2,-0.4 -0.993 20.3-178.7-133.6 133.6 16.5 31.6 -16.7 90 93 A I E -de 69 112A 0 -22,-2.2 -20,-2.2 -2,-0.4 2,-0.4 -1.000 7.9-178.7-130.6 127.3 16.5 35.2 -15.6 91 94 A T E -de 70 113A 39 21,-2.0 23,-1.3 -2,-0.4 2,-0.4 -0.995 1.8-178.7-128.2 130.1 18.8 36.4 -12.8 92 95 A I E +d 71 0A 0 -22,-2.6 -20,-1.2 -2,-0.4 2,-0.2 -0.995 16.0 143.8-130.4 130.7 19.0 40.0 -11.5 93 96 A A > + 0 0 7 -2,-0.4 3,-1.1 -22,-0.2 -2,-0.0 -0.752 43.4 63.2-143.6-172.9 21.3 41.2 -8.7 94 97 A E T 3 S- 0 0 66 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.801 120.9 -70.5 56.1 35.3 23.3 44.3 -7.8 95 98 A K T 3 S+ 0 0 135 -22,-0.6 -1,-0.2 1,-0.2 -21,-0.1 0.824 98.3 143.6 57.3 38.2 20.1 46.4 -7.5 96 99 A G < - 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