==== 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 3VBL . COMPND 2 MOLECULE: GALACTOSIDE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR R.L.KUBIAK,H.M.HOLDEN . 564 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 180 31.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 6.0 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 . 44 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 8.7 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 1 2 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 21 18 0 0 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 . 3 2 1 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 0 0 3 0 0 3 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 0 A H 0 0 99 0, 0.0 220,-3.0 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 13.5 -12.3 48.2 -20.6 2 1 A M - 0 0 172 1,-0.4 2,-0.3 218,-0.2 218,-0.0 0.725 360.0 -24.2-104.9 -45.9 -12.6 46.7 -24.1 3 2 A N - 0 0 93 2,-0.1 -1,-0.4 216,-0.1 216,-0.0 -0.982 39.7-143.4-161.6 162.5 -8.9 46.0 -24.7 4 3 A S + 0 0 16 -2,-0.3 23,-3.0 -3,-0.1 24,-0.1 0.183 54.3 133.4-112.4 9.4 -5.4 47.0 -23.7 5 4 A F B -A 26 0A 33 21,-0.3 21,-0.2 22,-0.1 2,-0.1 -0.390 58.7-111.8 -71.9 147.0 -3.6 46.7 -27.0 6 5 A Y - 0 0 41 19,-2.3 19,-0.3 1,-0.1 2,-0.1 -0.377 36.4-113.8 -55.9 144.0 -1.2 49.3 -28.6 7 6 A S > - 0 0 52 1,-0.1 4,-2.0 -2,-0.1 3,-0.4 -0.464 32.1-104.1 -76.5 162.4 -2.6 50.9 -31.7 8 7 A Q H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.859 124.0 57.2 -53.0 -32.5 -0.6 50.1 -34.9 9 8 A E H > S+ 0 0 110 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.905 106.7 43.9 -68.0 -45.3 0.9 53.5 -34.6 10 9 A E H > S+ 0 0 75 -3,-0.4 4,-0.6 1,-0.2 3,-0.4 0.806 107.9 62.1 -69.6 -30.4 2.3 53.0 -31.1 11 10 A L H >< S+ 0 0 2 -4,-2.0 3,-1.2 1,-0.2 4,-0.5 0.897 99.6 53.7 -60.1 -42.5 3.6 49.6 -32.2 12 11 A K H 3< S+ 0 0 118 -4,-1.6 3,-0.4 1,-0.3 -1,-0.2 0.757 105.3 55.5 -65.0 -24.8 5.8 51.2 -34.8 13 12 A K H 3< S+ 0 0 170 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.635 86.0 79.8 -88.3 -11.3 7.3 53.4 -32.2 14 13 A I S << S- 0 0 16 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.866 96.2-126.3 -59.5 -37.3 8.4 50.6 -29.9 15 14 A G + 0 0 42 -4,-0.5 22,-0.2 -3,-0.4 -3,-0.1 0.826 39.1 176.7 88.5 37.0 11.5 49.8 -32.0 16 15 A F - 0 0 22 -5,-0.4 19,-0.3 1,-0.1 3,-0.2 -0.417 42.0-122.1 -63.7 140.9 11.1 46.0 -32.6 17 16 A L S S- 0 0 98 17,-1.6 2,-0.3 20,-1.2 21,-0.2 0.920 97.8 -11.7 -47.3 -46.5 13.7 44.4 -34.8 18 17 A S E -b 38 0B 68 19,-1.3 21,-2.6 22,-0.0 2,-0.4 -0.960 65.7-172.2-155.1 146.4 10.6 43.5 -36.9 19 18 A V E -b 39 0B 40 -2,-0.3 21,-0.2 -3,-0.2 22,-0.1 -0.980 13.1-152.1-141.0 126.2 6.9 43.6 -36.4 20 19 A G - 0 0 11 19,-1.4 3,-0.4 20,-1.2 2,-0.2 0.204 30.4 -78.1 -78.0-160.2 4.2 42.2 -38.7 21 20 A K S S+ 0 0 127 1,-0.2 21,-3.0 3,-0.0 22,-0.2 -0.653 106.7 28.1-101.1 165.5 0.6 43.2 -39.4 22 21 A N S S+ 0 0 115 -2,-0.2 21,-1.1 19,-0.2 2,-0.5 0.871 80.6 157.9 50.0 47.2 -2.4 42.4 -37.3 23 22 A V E -l 43 0C 8 -3,-0.4 2,-0.6 19,-0.2 -1,-0.2 -0.882 23.7-168.3-102.6 121.2 -0.2 42.4 -34.2 24 23 A L E +l 44 0C 79 19,-3.3 21,-2.7 -2,-0.5 2,-0.5 -0.950 10.4 175.9-114.8 110.1 -2.1 43.0 -30.9 25 24 A I E -l 45 0C 0 -2,-0.6 -19,-2.3 -19,-0.3 21,-0.2 -0.975 28.3-122.1-120.8 127.5 0.2 43.7 -27.9 26 25 A S B > -A 5 0A 0 19,-2.4 3,-1.5 -2,-0.5 -21,-0.3 -0.393 4.9-143.3 -68.4 137.6 -1.0 44.6 -24.5 27 26 A K T 3 S+ 0 0 108 -23,-3.0 -1,-0.1 1,-0.3 -22,-0.1 0.679 103.4 63.0 -69.9 -14.4 0.2 47.8 -23.0 28 27 A K T 3 S+ 0 0 62 -24,-0.1 20,-0.6 2,-0.1 -1,-0.3 0.431 86.4 90.6 -88.8 -2.3 0.2 45.9 -19.7 29 28 A A S < S- 0 0 2 -3,-1.5 2,-0.5 18,-0.2 21,-0.2 -0.512 77.9-126.8 -76.3 156.8 2.9 43.5 -21.0 30 29 A S E -c 50 0B 1 19,-3.3 21,-2.8 -2,-0.2 2,-0.5 -0.934 20.8-168.6-107.4 135.4 6.6 44.4 -20.4 31 30 A I E -c 51 0B 3 -2,-0.5 2,-0.4 348,-0.2 21,-0.2 -0.970 5.0-174.3-121.2 115.3 9.0 44.5 -23.4 32 31 A Y E +c 52 0B 27 19,-2.7 21,-1.9 -2,-0.5 349,-0.2 -0.931 68.8 3.2-112.6 133.8 12.7 44.8 -22.7 33 32 A N > - 0 0 93 347,-2.6 3,-1.9 -2,-0.4 -1,-0.2 0.968 69.9-177.6 63.0 60.3 15.3 45.2 -25.5 34 33 A P G > + 0 0 18 0, 0.0 3,-1.9 0, 0.0 -17,-1.6 0.731 69.3 75.5 -65.6 -15.4 12.8 45.5 -28.3 35 34 A G G 3 S+ 0 0 35 1,-0.3 -19,-0.1 -19,-0.3 -2,-0.1 0.535 98.5 45.0 -79.9 -1.5 15.5 45.7 -30.9 36 35 A V G < S+ 0 0 47 -3,-1.9 19,-1.3 17,-0.1 2,-0.5 0.165 96.1 96.4-116.8 16.3 16.2 42.0 -30.6 37 36 A I E < - d 0 55B 0 -3,-1.9 -19,-1.3 17,-0.2 -20,-1.2 -0.920 52.1-174.2-108.5 124.8 12.5 41.1 -30.6 38 37 A S E -bd 18 56B 21 17,-2.5 19,-2.7 -2,-0.5 2,-0.4 -0.976 1.7-174.3-122.2 134.7 10.9 40.1 -33.9 39 38 A I E -bd 19 57B 4 -21,-2.6 -19,-1.4 -2,-0.4 19,-0.2 -0.994 8.4-154.4-133.1 125.6 7.2 39.4 -34.4 40 39 A G - 0 0 19 17,-1.3 -20,-1.2 18,-1.0 2,-0.3 0.425 43.7 -53.3 -73.5-144.1 5.5 38.0 -37.5 41 40 A N S S+ 0 0 71 -21,-0.2 19,-2.0 1,-0.2 20,-0.2 -0.748 108.5 16.0 -98.6 143.8 1.9 38.5 -38.6 42 41 A N S S+ 0 0 34 -21,-3.0 19,-1.2 -2,-0.3 18,-0.9 0.991 81.2 149.9 68.2 67.9 -1.4 37.9 -36.7 43 42 A V E -lm 23 61C 3 -21,-1.1 -19,-3.3 17,-0.2 2,-0.4 -0.988 29.9-163.1-138.6 134.9 0.1 37.7 -33.2 44 43 A R E -lm 24 62C 78 17,-2.0 19,-3.1 -2,-0.4 2,-0.4 -0.994 3.8-173.5-126.1 132.1 -1.6 38.6 -29.9 45 44 A I E -lm 25 63C 0 -21,-2.7 -19,-2.4 -2,-0.4 19,-0.2 -0.997 20.7-148.2-127.8 124.0 0.4 39.1 -26.6 46 45 A D > - 0 0 11 17,-1.9 3,-1.5 -2,-0.4 20,-0.2 -0.139 28.2 -57.2-102.3-176.6 -1.7 39.6 -23.5 47 46 A D T 3 S+ 0 0 5 1,-0.3 19,-1.9 18,-0.1 20,-0.2 -0.211 113.5 13.9 -62.2 146.1 -1.6 41.5 -20.2 48 47 A F T 3 S+ 0 0 8 -20,-0.6 -1,-0.3 1,-0.3 -19,-0.2 0.481 87.1 141.6 72.2 6.6 1.3 41.0 -17.8 49 48 A C < - 0 0 0 -3,-1.5 -19,-3.3 17,-0.1 2,-0.4 -0.367 39.3-150.4 -64.3 156.3 3.4 39.1 -20.3 50 49 A I E -ce 30 68B 6 17,-2.1 19,-3.2 -21,-0.2 2,-0.5 -0.975 14.9-179.2-127.4 117.7 7.2 39.8 -20.2 51 50 A L E +ce 31 69B 0 -21,-2.8 -19,-2.7 -2,-0.4 2,-0.4 -0.986 15.4 172.3-107.0 121.6 9.3 39.6 -23.3 52 51 A S E -ce 32 70B 39 17,-2.2 19,-2.3 -2,-0.5 20,-0.9 -0.992 44.7 -17.6-131.7 126.1 12.9 40.3 -22.5 53 52 A G E S+ e 0 72B 5 -21,-1.9 2,-0.5 -2,-0.4 20,-0.2 -0.343 114.4 6.7 81.4-159.9 16.0 40.0 -24.8 54 53 A K E S+ 0 0 69 18,-2.7 22,-1.2 17,-0.1 2,-0.4 -0.412 73.5 154.4 -72.7 110.9 16.2 37.9 -28.0 55 54 A V E -de 37 76B 0 -19,-1.3 -17,-2.5 -2,-0.5 2,-0.4 -0.998 19.9-173.0-136.6 133.4 12.7 36.6 -28.8 56 55 A T E +de 38 77B 30 20,-2.0 22,-3.1 -2,-0.4 2,-0.4 -0.993 4.8 179.7-131.9 121.6 11.3 35.7 -32.3 57 56 A I E -d 39 0B 4 -19,-2.7 -17,-1.3 -2,-0.4 22,-0.1 -0.939 10.9-156.1-119.0 144.5 7.7 34.8 -32.9 58 57 A G - 0 0 14 20,-0.4 -18,-1.0 -2,-0.4 2,-0.3 0.461 40.1 -50.6 -90.9-133.0 6.2 33.9 -36.3 59 58 A S S S+ 0 0 18 -19,-0.2 22,-2.5 1,-0.2 23,-0.3 -0.825 107.8 24.1-116.7 152.4 2.6 34.2 -37.5 60 59 A Y S S+ 0 0 30 -19,-2.0 2,-0.4 -18,-0.9 -17,-0.2 0.959 85.0 142.2 64.0 53.7 -0.7 33.0 -36.1 61 60 A S E -m 43 0C 0 -19,-1.2 -17,-2.0 -3,-0.2 2,-0.5 -0.994 37.8-162.3-132.3 133.2 0.5 32.9 -32.5 62 61 A H E -m 44 0C 27 -2,-0.4 22,-2.6 20,-0.2 2,-0.7 -0.954 1.0-167.1-112.8 126.9 -1.2 33.8 -29.2 63 62 A I E -mn 45 84C 0 -19,-3.1 -17,-1.9 -2,-0.5 22,-0.2 -0.926 27.6-145.1-108.6 106.7 1.0 34.4 -26.2 64 63 A A > - 0 0 7 20,-2.8 3,-1.2 -2,-0.7 23,-0.3 -0.178 31.2 -59.9 -81.9 175.7 -1.6 34.4 -23.4 65 64 A A T 3 S+ 0 0 0 1,-0.2 22,-2.0 21,-0.2 -17,-0.2 0.039 114.7 14.8 -58.4 150.0 -1.6 36.5 -20.2 66 65 A Y T 3 S+ 0 0 1 -19,-1.9 2,-0.2 20,-0.2 -1,-0.2 0.382 84.9 145.0 73.8 1.9 1.2 36.3 -17.6 67 66 A T < - 0 0 0 -3,-1.2 -17,-2.1 -20,-0.2 2,-0.5 -0.546 34.6-157.0 -83.8 132.3 3.7 34.5 -19.9 68 67 A A E -ef 50 89B 0 20,-2.4 22,-2.3 -2,-0.2 2,-0.6 -0.961 9.0-170.9-110.9 124.1 7.3 35.3 -19.5 69 68 A L E -ef 51 90B 0 -19,-3.2 -17,-2.2 -2,-0.5 2,-1.2 -0.928 5.2-170.2-112.4 99.4 9.7 34.7 -22.5 70 69 A Y E +ef 52 91B 43 20,-2.7 22,-2.0 -2,-0.6 23,-0.3 -0.730 13.9 167.9 -92.0 91.0 13.2 35.3 -21.1 71 70 A G E > + 0 0 0 -19,-2.3 4,-3.0 -2,-1.2 -18,-0.2 0.703 10.4 176.0 -83.0 -22.7 15.3 35.3 -24.3 72 71 A G E 4 -e 53 0B 39 -20,-0.9 -18,-2.7 1,-0.2 -1,-0.2 -0.200 63.4 -45.7 59.1-145.2 18.5 36.6 -22.9 73 72 A E E 4 S+ 0 0 190 -20,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.822 137.4 56.4 -88.8 -32.3 21.3 36.6 -25.5 74 73 A V E 4 S- 0 0 59 1,-0.1 -2,-0.2 18,-0.1 44,-0.2 0.766 100.6-135.5 -77.6 -29.3 20.7 33.2 -27.0 75 74 A G E < - 0 0 2 -4,-3.0 44,-2.0 43,-0.1 2,-0.4 0.147 11.9-122.0 103.9 151.9 17.1 33.6 -27.9 76 75 A I E -eg 55 119B 2 -22,-1.2 -20,-2.0 42,-0.2 2,-0.4 -0.989 30.6-168.7-124.9 136.4 13.8 31.9 -27.9 77 76 A E E -eg 56 120B 49 42,-2.8 44,-2.6 -2,-0.4 2,-0.4 -0.998 9.1-163.7-129.6 141.1 12.1 31.3 -31.2 78 77 A M E - g 0 121B 2 -22,-3.1 -20,-0.4 -2,-0.4 44,-0.2 -0.944 14.2-143.4-116.0 135.4 8.5 30.3 -32.0 79 78 A Y > - 0 0 79 42,-2.6 3,-1.6 -2,-0.4 -21,-0.3 -0.370 44.3 -60.3 -89.0 173.5 7.5 29.0 -35.4 80 79 A D T 3 S+ 0 0 64 1,-0.2 44,-1.4 -2,-0.1 45,-0.2 -0.173 119.8 15.1 -62.0 146.0 4.2 29.6 -37.2 81 80 A F T 3 S+ 0 0 8 -22,-2.5 2,-0.3 1,-0.3 -1,-0.2 0.485 88.7 136.4 70.2 6.4 1.0 28.4 -35.5 82 81 A A < - 0 0 0 -3,-1.6 2,-0.3 -23,-0.3 -1,-0.3 -0.625 32.2-173.3 -78.8 150.2 2.7 27.9 -32.1 83 82 A N E - o 0 126C 11 42,-2.0 44,-1.7 -2,-0.3 2,-0.5 -0.974 15.5-151.4-146.3 144.2 0.7 29.2 -29.1 84 83 A I E -no 63 127C 2 -22,-2.6 -20,-2.8 -2,-0.3 44,-0.1 -0.988 16.2-137.6-125.5 125.0 1.5 29.5 -25.4 85 84 A C > - 0 0 25 42,-2.8 3,-0.8 -2,-0.5 46,-0.2 -0.302 45.3 -64.9 -75.6 167.8 -1.2 29.3 -22.7 86 85 A S T 3 S+ 0 0 1 1,-0.2 44,-2.1 43,-0.1 -20,-0.2 -0.047 112.1 15.8 -59.8 148.9 -1.3 31.7 -19.8 87 86 A R T 3 S+ 0 0 0 -22,-2.0 2,-0.2 -23,-0.3 -1,-0.2 0.718 83.2 146.8 65.5 26.3 1.4 31.8 -17.1 88 87 A T < - 0 0 0 -3,-0.8 -20,-2.4 -23,-0.2 2,-0.4 -0.603 33.6-153.8 -84.3 150.1 4.0 29.9 -19.0 89 88 A I E -fh 68 132B 0 42,-2.4 44,-2.6 -2,-0.2 2,-0.5 -0.998 8.7-171.7-119.7 134.7 7.7 30.6 -18.5 90 89 A V E -fh 69 133B 0 -22,-2.3 -20,-2.7 -2,-0.4 2,-0.5 -0.993 10.4-166.2-116.0 121.1 10.3 29.9 -21.2 91 90 A Y E -f 70 0B 25 42,-3.0 -20,-0.1 -2,-0.5 3,-0.1 -0.928 19.8-175.7-106.9 132.3 13.9 30.4 -20.0 92 91 A A S S+ 0 0 0 -22,-2.0 25,-1.8 -2,-0.5 2,-0.3 0.497 83.4 26.8 -91.4 -12.9 16.9 30.6 -22.4 93 92 A A E +S 116 0D 42 -23,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.990 68.1 173.9-142.9 138.9 19.3 30.8 -19.4 94 93 A I E -S 115 0D 44 21,-2.2 21,-2.6 -2,-0.3 2,-0.1 -0.992 31.8-107.5-141.8 155.0 19.0 29.5 -15.8 95 94 A D - 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