==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-JAN-12 3VBJ . COMPND 2 MOLECULE: GALACTOSIDE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR R.L.KUBIAK,H.M.HOLDEN . 560 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22555.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 178 31.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 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 . 46 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 8.0 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 0 2 0 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 22 21 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 PARALLEL BRIDGES PER LADDER . 3 3 0 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 . 3 0 0 0 2 2 3 0 0 1 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 1 A M 0 0 187 0, 0.0 2,-0.3 0, 0.0 217,-0.0 0.000 360.0 360.0 360.0-157.7 -11.6 -47.9 -23.9 2 2 A N - 0 0 92 2,-0.1 216,-0.0 216,-0.0 0, 0.0 -0.965 360.0-153.6-145.2 145.0 -10.8 -44.4 -25.3 3 3 A S + 0 0 17 -2,-0.3 23,-3.5 20,-0.0 24,-0.2 0.194 50.5 131.9 -99.3 26.2 -11.7 -41.0 -24.0 4 4 A F B -A 25 0A 33 21,-0.2 21,-0.2 22,-0.1 -2,-0.1 -0.531 57.7-114.0 -94.5 143.8 -11.6 -39.1 -27.3 5 5 A Y - 0 0 57 19,-2.3 19,-0.3 -2,-0.2 2,-0.2 -0.301 35.3-118.9 -50.1 142.0 -14.0 -36.6 -29.0 6 6 A S >> - 0 0 50 1,-0.1 4,-2.3 17,-0.1 3,-0.6 -0.490 32.2-101.2 -73.5 158.7 -15.6 -37.8 -32.2 7 7 A Q H 3> S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.843 124.9 57.2 -44.8 -32.2 -14.9 -35.8 -35.4 8 8 A E H 3> S+ 0 0 111 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.883 106.0 43.9 -76.0 -40.9 -18.3 -34.3 -34.8 9 9 A E H <> S+ 0 0 71 -3,-0.6 4,-0.7 1,-0.2 3,-0.3 0.828 109.4 59.4 -74.7 -28.2 -17.7 -32.9 -31.3 10 10 A L H >X S+ 0 0 2 -4,-2.3 3,-1.5 1,-0.2 4,-0.6 0.936 101.7 53.0 -63.5 -42.6 -14.3 -31.6 -32.5 11 11 A K H 3< S+ 0 0 120 -4,-1.7 3,-0.4 1,-0.3 -1,-0.2 0.793 107.5 54.2 -62.4 -24.5 -15.9 -29.5 -35.1 12 12 A K H 3< S+ 0 0 163 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.615 87.7 77.6 -89.7 -10.9 -18.1 -28.0 -32.4 13 13 A I H << S- 0 0 32 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.825 97.0-127.8 -66.3 -31.4 -15.3 -27.0 -30.1 14 14 A G < + 0 0 44 -4,-0.6 22,-0.2 -3,-0.4 -3,-0.1 0.854 39.1 175.9 86.1 34.8 -14.5 -23.9 -32.2 15 15 A F - 0 0 23 -5,-0.5 19,-0.3 1,-0.1 3,-0.2 -0.413 42.8-119.5 -65.8 148.4 -10.8 -24.3 -32.8 16 16 A L S S- 0 0 97 17,-1.4 2,-0.3 20,-1.2 21,-0.2 0.909 96.9 -15.5 -52.8 -44.4 -9.0 -21.8 -35.1 17 17 A S E -b 37 0B 71 19,-1.3 21,-2.3 22,-0.0 2,-0.3 -0.951 65.3-174.5-157.8 145.9 -8.2 -24.8 -37.2 18 18 A V E -b 38 0B 40 -2,-0.3 21,-0.2 19,-0.2 22,-0.1 -0.961 13.1-151.6-144.5 127.7 -8.2 -28.6 -36.7 19 19 A G - 0 0 12 19,-1.6 3,-0.3 20,-1.4 2,-0.2 0.186 32.6 -72.1 -76.0-161.4 -7.0 -31.3 -39.1 20 20 A K S S+ 0 0 140 1,-0.2 21,-2.7 3,-0.0 22,-0.2 -0.618 107.0 25.8 -97.1 163.6 -8.0 -34.9 -39.6 21 21 A N S S+ 0 0 89 1,-0.2 21,-1.3 -2,-0.2 2,-0.5 0.952 78.5 156.9 46.0 57.5 -7.2 -37.8 -37.4 22 22 A V E -l 42 0C 7 -3,-0.3 2,-0.6 19,-0.2 -1,-0.2 -0.977 24.0-167.7-110.0 123.5 -7.1 -35.6 -34.3 23 23 A L E +l 43 0C 64 19,-2.9 21,-2.5 -2,-0.5 2,-0.5 -0.958 10.0 176.9-116.8 105.9 -7.7 -37.5 -31.1 24 24 A I E -l 44 0C 0 -2,-0.6 -19,-2.3 -19,-0.3 21,-0.2 -0.967 29.5-119.0-109.8 124.3 -8.3 -35.2 -28.2 25 25 A S B > -A 4 0A 0 19,-3.1 3,-1.9 -2,-0.5 -21,-0.2 -0.311 6.2-140.1 -58.4 136.4 -9.2 -36.5 -24.7 26 26 A K T 3 S+ 0 0 101 -23,-3.5 -1,-0.1 1,-0.3 -22,-0.1 0.699 105.1 61.6 -66.1 -18.9 -12.5 -35.5 -23.2 27 27 A K T 3 S+ 0 0 62 -24,-0.2 20,-0.7 2,-0.1 -1,-0.3 0.393 86.5 95.1 -91.8 0.3 -10.6 -35.3 -19.9 28 28 A A S < S- 0 0 3 -3,-1.9 2,-0.5 18,-0.2 21,-0.2 -0.528 74.0-129.0 -75.5 155.9 -8.3 -32.6 -21.3 29 29 A S E -c 49 0B 2 19,-2.9 21,-2.9 -2,-0.2 2,-0.5 -0.941 20.6-171.1-104.9 133.6 -9.1 -28.9 -20.7 30 30 A I E -c 50 0B 13 -2,-0.5 2,-0.5 19,-0.2 21,-0.2 -0.973 4.0-175.7-124.5 117.3 -9.2 -26.5 -23.7 31 31 A Y E +c 51 0B 33 19,-2.7 21,-1.3 -2,-0.5 347,-0.1 -0.968 69.4 5.4-117.0 132.4 -9.4 -22.7 -23.0 32 32 A N > + 0 0 87 -2,-0.5 3,-2.1 19,-0.2 -1,-0.2 0.952 68.5 178.9 68.6 54.3 -9.8 -20.2 -25.7 33 33 A P G > + 0 0 15 0, 0.0 3,-2.2 0, 0.0 -17,-1.4 0.765 67.9 78.2 -63.5 -17.3 -10.1 -22.7 -28.5 34 34 A G G 3 S+ 0 0 35 1,-0.3 -19,-0.1 -19,-0.3 -2,-0.1 0.647 98.5 43.0 -71.1 -10.8 -10.5 -19.9 -31.0 35 35 A V G < S+ 0 0 47 -3,-2.1 19,-1.3 17,-0.1 2,-0.5 0.170 95.4 99.4-113.4 19.1 -6.7 -19.3 -30.9 36 36 A I E < - d 0 54B 0 -3,-2.2 -19,-1.3 17,-0.2 -20,-1.2 -0.905 49.1-175.7-109.5 125.0 -5.8 -23.0 -30.9 37 37 A S E -bd 17 55B 19 17,-2.5 19,-3.0 -2,-0.5 2,-0.4 -0.978 1.7-177.0-122.5 131.6 -4.8 -24.5 -34.2 38 38 A I E -bd 18 56B 2 -21,-2.3 -19,-1.6 -2,-0.4 19,-0.2 -0.997 9.8-155.0-131.6 125.7 -4.0 -28.2 -34.6 39 39 A G - 0 0 21 17,-1.7 -20,-1.4 18,-1.0 2,-0.3 0.444 43.8 -51.2 -73.9-141.8 -2.8 -29.9 -37.9 40 40 A N S S+ 0 0 67 1,-0.2 19,-1.5 -21,-0.2 -19,-0.2 -0.751 109.0 18.4-101.6 149.4 -3.3 -33.6 -38.9 41 41 A N S S+ 0 0 32 -21,-2.7 19,-1.5 -2,-0.3 18,-1.1 0.991 81.1 149.7 62.7 65.8 -2.5 -36.8 -36.9 42 42 A V E -lm 22 60C 2 -21,-1.3 -19,-2.9 17,-0.2 2,-0.4 -0.977 29.7-164.2-135.5 140.0 -2.4 -35.3 -33.4 43 43 A R E -lm 23 61C 80 17,-2.1 19,-3.1 -2,-0.4 2,-0.4 -1.000 3.5-173.8-134.1 129.3 -3.2 -37.0 -30.1 44 44 A I E -lm 24 62C 0 -21,-2.5 -19,-3.1 -2,-0.4 19,-0.2 -0.993 21.6-147.4-125.0 120.0 -3.8 -35.0 -26.9 45 45 A D > - 0 0 14 17,-2.4 3,-1.5 -2,-0.4 20,-0.2 -0.083 28.4 -56.8 -95.9-178.0 -4.2 -37.2 -23.8 46 46 A D T 3 S+ 0 0 7 1,-0.2 19,-2.1 18,-0.1 20,-0.2 -0.187 114.5 11.9 -57.8 144.5 -6.1 -37.1 -20.5 47 47 A F T 3 S+ 0 0 8 -20,-0.7 -1,-0.2 1,-0.2 -19,-0.2 0.534 87.8 141.1 71.8 10.4 -5.6 -34.3 -18.0 48 48 A C < - 0 0 0 -3,-1.5 -19,-2.9 17,-0.1 2,-0.4 -0.428 39.2-149.7 -71.3 154.6 -3.8 -32.1 -20.5 49 49 A I E -ce 29 67B 5 17,-2.3 19,-3.2 -21,-0.2 2,-0.5 -0.982 13.4-175.5-127.2 121.5 -4.4 -28.4 -20.5 50 50 A L E +ce 30 68B 0 -21,-2.9 -19,-2.7 -2,-0.4 2,-0.4 -0.974 15.7 176.9-108.1 123.1 -4.2 -26.2 -23.6 51 51 A S E -ce 31 69B 37 17,-2.5 19,-2.5 -2,-0.5 20,-0.6 -0.975 43.7 -23.8-131.4 127.3 -4.8 -22.6 -22.7 52 52 A G E S+ e 0 71B 7 -21,-1.3 2,-0.5 -2,-0.4 20,-0.2 -0.294 114.6 9.7 73.5-156.9 -4.6 -19.5 -25.0 53 53 A K E S+ 0 0 68 18,-2.6 22,-1.6 -17,-0.1 2,-0.4 -0.451 73.0 155.8 -74.6 109.0 -2.6 -19.3 -28.2 54 54 A V E -de 36 75B 0 -19,-1.3 -17,-2.5 -2,-0.5 2,-0.4 -0.998 19.2-173.2-134.6 128.6 -1.3 -22.8 -29.1 55 55 A T E +de 37 76B 33 20,-2.5 22,-3.1 -2,-0.4 2,-0.4 -0.986 5.2 179.9-127.1 121.8 -0.4 -24.1 -32.6 56 56 A I E -de 38 77B 3 -19,-3.0 -17,-1.7 -2,-0.4 22,-0.2 -0.968 10.4-157.0-118.8 137.6 0.4 -27.7 -33.2 57 57 A G - 0 0 15 20,-0.8 -18,-1.0 -2,-0.4 2,-0.3 0.485 40.5 -55.0 -80.8-135.8 1.4 -29.1 -36.6 58 58 A S S S+ 0 0 19 -19,-0.2 22,-2.4 1,-0.2 23,-0.3 -0.843 106.7 28.5-117.4 156.0 1.1 -32.8 -37.7 59 59 A Y S S+ 0 0 27 -19,-1.5 2,-0.4 -18,-1.1 -17,-0.2 0.961 85.5 141.4 65.9 58.0 2.3 -36.1 -36.4 60 60 A S E -m 42 0C 0 -19,-1.5 -17,-2.1 -3,-0.2 2,-0.5 -0.998 39.1-161.2-137.3 133.9 2.4 -34.9 -32.7 61 61 A H E -m 43 0C 32 -2,-0.4 22,-2.7 20,-0.3 2,-0.6 -0.946 1.0-167.9-115.0 129.1 1.5 -36.5 -29.4 62 62 A I E -mn 44 83C 0 -19,-3.1 -17,-2.4 -2,-0.5 22,-0.2 -0.947 29.0-144.8-112.0 104.0 0.9 -34.3 -26.4 63 63 A A > - 0 0 6 20,-2.4 3,-1.4 -2,-0.6 23,-0.3 -0.128 30.1 -61.3 -79.7 173.6 0.9 -36.9 -23.6 64 64 A A T 3 S+ 0 0 1 1,-0.2 22,-1.9 21,-0.2 -17,-0.2 -0.032 115.2 13.2 -60.6 151.4 -1.2 -37.1 -20.5 65 65 A Y T 3 S+ 0 0 1 -19,-2.1 -1,-0.2 20,-0.2 2,-0.2 0.432 86.4 144.3 67.6 6.0 -1.0 -34.3 -17.8 66 66 A T < - 0 0 0 -3,-1.4 -17,-2.3 -20,-0.2 2,-0.5 -0.545 34.8-156.1 -83.5 135.7 0.9 -31.9 -20.1 67 67 A A E -ef 49 88B 0 20,-2.6 22,-2.6 -19,-0.2 2,-0.6 -0.959 9.5-171.3-111.7 126.9 0.1 -28.1 -19.8 68 68 A L E -ef 50 89B 0 -19,-3.2 -17,-2.5 -2,-0.5 2,-1.0 -0.951 3.6-171.4-117.1 103.8 0.7 -25.7 -22.7 69 69 A Y E +ef 51 90B 44 20,-2.8 22,-2.4 -2,-0.6 23,-0.3 -0.799 12.7 168.8 -95.7 89.6 0.1 -22.1 -21.4 70 70 A G E > + 0 0 0 -19,-2.5 4,-3.0 -2,-1.0 -18,-0.2 0.696 11.3 179.8 -81.2 -23.0 0.3 -20.1 -24.6 71 71 A G E 4 -e 52 0B 39 -20,-0.6 -18,-2.6 1,-0.2 -1,-0.2 -0.223 61.7 -46.7 62.9-151.4 -1.0 -16.8 -23.3 72 72 A E E 4 S+ 0 0 191 -20,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.841 139.3 55.0 -82.1 -36.8 -1.2 -14.0 -26.0 73 73 A V E 4 S- 0 0 58 1,-0.1 -2,-0.2 18,-0.1 44,-0.1 0.795 100.9-143.3 -73.1 -32.0 2.3 -14.7 -27.4 74 74 A G E < - 0 0 2 -4,-3.0 44,-2.3 43,-0.1 2,-0.4 0.139 12.9-111.8 98.3 153.4 1.8 -18.3 -28.2 75 75 A I E -eg 54 118B 2 -22,-1.6 -20,-2.5 42,-0.2 2,-0.4 -0.995 31.8-166.7-121.9 133.6 3.5 -21.7 -28.2 76 76 A E E -eg 55 119B 50 42,-2.7 44,-2.6 -2,-0.4 2,-0.4 -0.992 7.5-166.7-123.0 130.9 4.1 -23.3 -31.6 77 77 A M E -eg 56 120B 2 -22,-3.1 -20,-0.8 -2,-0.4 44,-0.2 -0.968 14.0-145.9-109.8 139.2 5.1 -26.9 -32.3 78 78 A Y > - 0 0 77 42,-2.6 3,-1.6 -2,-0.4 -21,-0.2 -0.372 44.5 -58.9 -93.5 172.1 6.3 -27.8 -35.8 79 79 A D T 3 S+ 0 0 66 1,-0.2 44,-1.4 43,-0.1 -20,-0.2 -0.144 119.6 14.2 -56.6 144.6 5.7 -31.2 -37.5 80 80 A F T 3 S+ 0 0 8 -22,-2.4 -1,-0.2 1,-0.3 2,-0.2 0.505 89.0 135.6 72.4 1.5 6.9 -34.4 -35.8 81 81 A A < - 0 0 0 -3,-1.6 2,-0.3 -23,-0.3 -1,-0.3 -0.627 32.9-173.4 -69.8 149.4 7.5 -32.6 -32.5 82 82 A N E - o 0 125C 9 42,-2.2 44,-1.8 -2,-0.2 2,-0.5 -0.982 16.4-151.3-147.8 146.9 6.1 -34.6 -29.4 83 83 A I E -no 62 126C 1 -22,-2.7 -20,-2.4 -2,-0.3 44,-0.2 -0.983 18.3-136.9-126.3 127.4 5.9 -33.8 -25.7 84 84 A S > - 0 0 21 42,-2.8 3,-0.9 -2,-0.5 46,-0.2 -0.192 43.1 -63.2 -81.1 174.4 6.0 -36.5 -23.0 85 85 A S T 3 S+ 0 0 2 1,-0.2 44,-2.4 43,-0.1 45,-0.2 -0.134 111.8 14.5 -64.2 151.6 3.7 -36.7 -20.0 86 86 A R T 3 S+ 0 0 1 -22,-1.9 2,-0.2 -23,-0.3 -1,-0.2 0.708 85.2 143.8 62.7 27.5 3.6 -34.1 -17.3 87 87 A T < - 0 0 0 -3,-0.9 -20,-2.6 -23,-0.2 2,-0.4 -0.632 35.4-153.7 -89.2 151.3 5.5 -31.4 -19.1 88 88 A I E -fh 67 131B 0 42,-2.2 44,-2.7 -2,-0.2 2,-0.5 -0.997 7.5-170.5-119.8 134.6 4.7 -27.7 -18.8 89 89 A V E -fh 68 132B 0 -22,-2.6 -20,-2.8 -2,-0.4 2,-0.5 -0.984 12.0-166.0-114.6 123.0 5.4 -25.2 -21.5 90 90 A Y E -f 69 0B 28 42,-2.9 -20,-0.2 -2,-0.5 3,-0.1 -0.915 21.5-177.2-108.0 134.3 4.9 -21.5 -20.3 91 91 A A S S+ 0 0 0 -22,-2.4 25,-1.6 -2,-0.5 2,-0.3 0.507 82.7 31.3 -97.0 -9.0 4.8 -18.6 -22.6 92 92 A A E +S 115 0D 42 -23,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.994 68.3 171.6-143.9 135.9 4.4 -16.2 -19.7 93 93 A I E -S 114 0D 41 21,-2.4 21,-3.2 -2,-0.3 2,-0.1 -0.996 30.1-111.4-143.3 152.3 5.8 -16.4 -16.1 94 94 A D - 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