==== 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 3VBI . COMPND 2 MOLECULE: GALACTOSIDE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR R.L.KUBIAK,H.M.HOLDEN . 558 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22645.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 415 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 179 32.1 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 . 38 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 7.7 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 3 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 21 18 0 0 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 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 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 1 A M 0 0 189 0, 0.0 2,-0.3 0, 0.0 217,-0.1 0.000 360.0 360.0 360.0-150.7 -47.9 -11.5 24.0 2 2 A N - 0 0 96 2,-0.1 215,-0.0 215,-0.1 217,-0.0 -0.948 360.0-144.7-158.1 162.4 -44.5 -10.5 25.2 3 3 A S + 0 0 15 -2,-0.3 23,-2.5 2,-0.0 24,-0.1 0.274 50.1 134.3-113.9 12.3 -41.0 -11.5 24.2 4 4 A F B -A 25 0A 33 21,-0.2 21,-0.2 22,-0.1 -2,-0.1 -0.341 56.1-116.9 -75.8 143.8 -39.1 -11.4 27.5 5 5 A Y - 0 0 57 19,-2.4 19,-0.3 1,-0.1 2,-0.2 -0.378 36.6-115.9 -52.5 144.0 -36.6 -13.8 29.0 6 6 A S > - 0 0 59 1,-0.1 4,-1.9 17,-0.1 3,-0.5 -0.520 32.1-101.2 -77.5 161.2 -37.9 -15.4 32.3 7 7 A Q H > S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.806 124.7 59.4 -52.5 -25.5 -35.9 -14.6 35.4 8 8 A E H > S+ 0 0 116 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.920 105.1 42.5 -72.4 -46.7 -34.5 -18.1 34.8 9 9 A E H >4 S+ 0 0 69 -3,-0.5 3,-0.8 1,-0.2 4,-0.5 0.798 107.6 63.7 -66.8 -29.4 -33.0 -17.6 31.3 10 10 A L H >X S+ 0 0 1 -4,-1.9 3,-1.9 1,-0.3 4,-0.6 0.933 96.6 56.7 -62.4 -46.0 -31.6 -14.2 32.4 11 11 A K H 3< S+ 0 0 141 -4,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.729 104.2 54.6 -54.2 -25.3 -29.4 -15.9 34.9 12 12 A K T << S+ 0 0 161 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.562 86.5 79.4 -89.9 -9.0 -27.9 -18.0 32.1 13 13 A I T <4 S- 0 0 40 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.878 96.9-128.5 -67.8 -32.2 -26.9 -15.0 30.0 14 14 A G < + 0 0 44 -4,-0.6 22,-0.2 -3,-0.3 2,-0.1 0.838 37.7 179.0 85.0 38.7 -23.8 -14.4 32.1 15 15 A F - 0 0 24 -5,-0.4 19,-0.3 1,-0.1 3,-0.2 -0.425 41.2-121.4 -67.0 142.3 -24.2 -10.6 32.9 16 16 A L S S- 0 0 101 17,-1.4 2,-0.3 20,-1.2 21,-0.2 0.850 97.0 -18.5 -45.9 -39.2 -21.7 -8.9 35.1 17 17 A S E -b 37 0B 67 19,-1.2 21,-2.7 22,-0.0 2,-0.4 -0.889 63.5-172.6-171.0 136.5 -24.7 -8.1 37.2 18 18 A V E -b 38 0B 38 -2,-0.3 21,-0.2 -3,-0.2 22,-0.1 -0.937 13.0-156.0-139.3 121.8 -28.5 -8.1 36.7 19 19 A G - 0 0 14 19,-2.1 3,-0.4 20,-1.2 2,-0.2 0.315 33.8 -66.3 -74.2-156.2 -31.0 -6.9 39.3 20 20 A K S S+ 0 0 137 1,-0.2 21,-3.0 3,-0.0 22,-0.2 -0.648 107.1 26.6-100.1 161.3 -34.7 -7.7 39.8 21 21 A N S S+ 0 0 105 -2,-0.2 21,-0.8 1,-0.2 2,-0.6 0.909 79.0 159.8 56.1 42.4 -37.7 -7.1 37.6 22 22 A V E -l 42 0C 5 -3,-0.4 2,-0.6 19,-0.2 -1,-0.2 -0.893 21.2-170.6 -95.6 118.0 -35.5 -7.0 34.5 23 23 A L E +l 43 0C 78 19,-2.9 21,-2.2 -2,-0.6 2,-0.5 -0.938 9.4 175.2-112.8 109.9 -37.4 -7.6 31.3 24 24 A I E -l 44 0C 0 -2,-0.6 -19,-2.4 -19,-0.3 21,-0.2 -0.975 29.6-119.0-115.5 127.3 -35.1 -8.2 28.3 25 25 A S B > -A 4 0A 0 19,-3.1 3,-1.5 -2,-0.5 -21,-0.2 -0.376 4.8-143.0 -55.2 135.9 -36.4 -9.1 24.9 26 26 A K T 3 S+ 0 0 107 -23,-2.5 -1,-0.1 1,-0.3 -22,-0.1 0.645 104.3 62.3 -72.2 -12.8 -35.3 -12.4 23.3 27 27 A K T 3 S+ 0 0 74 -24,-0.1 20,-1.0 2,-0.1 -1,-0.3 0.356 87.0 90.7 -92.9 1.3 -35.3 -10.4 20.1 28 28 A A S < S- 0 0 3 -3,-1.5 2,-0.4 18,-0.2 21,-0.2 -0.541 77.5-125.3 -84.8 159.7 -32.5 -8.1 21.4 29 29 A S E -c 49 0B 1 19,-2.8 21,-3.0 -2,-0.2 2,-0.5 -0.931 21.5-169.7-108.4 138.1 -28.9 -8.9 20.8 30 30 A I E +c 50 0B 19 -2,-0.4 2,-0.4 19,-0.2 21,-0.2 -0.972 6.3 179.7-130.0 110.7 -26.4 -9.1 23.7 31 31 A Y E +c 51 0B 28 19,-2.5 21,-2.3 -2,-0.5 4,-0.1 -0.973 68.8 5.6-117.2 134.4 -22.6 -9.4 23.0 32 32 A N S > S+ 0 0 96 -2,-0.4 3,-2.1 19,-0.2 -1,-0.2 0.947 71.2 175.9 67.9 50.3 -19.9 -9.6 25.7 33 33 A P G > + 0 0 23 0, 0.0 3,-1.8 0, 0.0 -17,-1.4 0.711 65.5 76.7 -65.7 -16.2 -22.5 -9.8 28.4 34 34 A G G 3 S+ 0 0 36 1,-0.3 -19,-0.1 -19,-0.3 -2,-0.1 0.583 98.0 47.2 -72.7 -6.9 -19.8 -10.3 31.1 35 35 A V G < S+ 0 0 47 -3,-2.1 19,-1.0 17,-0.1 2,-0.5 0.256 95.4 95.5-107.8 13.4 -19.2 -6.6 30.8 36 36 A I E < - d 0 54B 0 -3,-1.8 -20,-1.2 17,-0.2 -19,-1.2 -0.893 50.6-174.8-111.8 129.4 -22.8 -5.6 31.0 37 37 A S E -bd 17 55B 18 17,-2.3 19,-3.2 -2,-0.5 2,-0.4 -0.987 1.8-176.8-128.4 130.8 -24.5 -4.6 34.3 38 38 A I E -bd 18 56B 2 -21,-2.7 -19,-2.1 -2,-0.4 19,-0.2 -0.996 9.3-156.2-130.8 126.1 -28.1 -3.9 34.7 39 39 A G - 0 0 20 17,-1.7 -20,-1.2 18,-1.1 2,-0.3 0.475 44.2 -47.6 -76.2-137.3 -29.8 -2.7 38.0 40 40 A N S S+ 0 0 70 1,-0.2 19,-1.6 -21,-0.2 20,-0.2 -0.755 109.8 16.1-104.4 148.2 -33.4 -3.1 39.0 41 41 A N S S+ 0 0 42 -21,-3.0 19,-1.3 -2,-0.3 18,-1.1 0.992 80.9 152.6 59.1 62.2 -36.6 -2.5 37.0 42 42 A V E -lm 22 60C 2 -21,-0.8 -19,-2.9 -3,-0.2 2,-0.4 -0.961 27.9-164.1-121.7 141.3 -35.1 -2.3 33.5 43 43 A R E -lm 23 61C 74 17,-2.1 19,-3.2 -2,-0.4 2,-0.4 -1.000 5.1-176.2-130.7 129.5 -36.8 -3.1 30.2 44 44 A I E -lm 24 62C 0 -21,-2.2 -19,-3.1 -2,-0.4 19,-0.2 -0.999 20.7-148.9-125.0 122.7 -34.9 -3.7 27.0 45 45 A D > - 0 0 13 17,-2.0 3,-1.5 -2,-0.4 20,-0.2 -0.103 29.1 -56.8 -96.8-179.1 -37.1 -4.2 23.9 46 46 A D T 3 S+ 0 0 5 1,-0.2 19,-1.9 18,-0.1 -18,-0.2 -0.191 114.9 12.1 -57.3 147.0 -37.0 -6.1 20.6 47 47 A F T 3 S+ 0 0 6 -20,-1.0 -1,-0.2 1,-0.2 -19,-0.2 0.504 87.4 138.9 68.8 5.8 -34.2 -5.5 18.2 48 48 A C < - 0 0 0 -3,-1.5 -19,-2.8 17,-0.1 2,-0.4 -0.402 40.3-149.8 -70.6 156.8 -32.0 -3.6 20.6 49 49 A I E -ce 29 67B 7 17,-2.3 19,-2.7 -21,-0.2 2,-0.5 -0.987 14.0-175.6-124.7 124.9 -28.4 -4.4 20.5 50 50 A L E +ce 30 68B 0 -21,-3.0 -19,-2.5 -2,-0.4 2,-0.4 -0.987 15.2 174.7-110.2 125.3 -26.1 -4.1 23.6 51 51 A S E -ce 31 69B 39 17,-2.2 19,-2.5 -2,-0.5 20,-1.1 -0.971 44.9 -22.4-135.6 119.5 -22.5 -4.8 22.8 52 52 A G E S+ e 0 71B 6 -21,-2.3 2,-0.5 -2,-0.4 20,-0.2 -0.465 114.1 11.4 84.2-157.4 -19.4 -4.5 25.0 53 53 A K E S+ 0 0 64 18,-2.8 22,-1.6 -2,-0.1 2,-0.4 -0.410 71.4 153.7 -72.3 110.4 -19.3 -2.4 28.2 54 54 A V E -de 36 75B 1 -19,-1.0 -17,-2.3 -2,-0.5 2,-0.5 -0.996 20.5-171.5-137.6 130.1 -22.7 -1.1 29.2 55 55 A T E +de 37 76B 31 20,-2.7 22,-3.1 -2,-0.4 2,-0.4 -0.989 7.1 179.0-126.6 116.7 -23.9 -0.2 32.7 56 56 A I E -de 38 77B 3 -19,-3.2 -17,-1.7 -2,-0.5 22,-0.1 -0.951 9.0-161.4-114.3 135.9 -27.6 0.5 33.3 57 57 A G - 0 0 16 20,-0.7 -18,-1.1 -2,-0.4 2,-0.3 0.451 40.8 -51.4 -84.7-130.3 -29.0 1.4 36.7 58 58 A S S S+ 0 0 17 -19,-0.2 22,-2.6 1,-0.2 23,-0.2 -0.882 105.5 26.4-121.6 158.1 -32.6 1.2 37.7 59 59 A Y S S+ 0 0 32 -19,-1.6 2,-0.4 -18,-1.1 -17,-0.2 0.927 84.9 140.6 58.5 56.4 -36.0 2.4 36.4 60 60 A S E -m 42 0C 0 -19,-1.3 -17,-2.1 -20,-0.2 2,-0.5 -0.986 39.6-160.0-129.6 135.8 -34.8 2.6 32.8 61 61 A H E -m 43 0C 29 -2,-0.4 22,-3.0 20,-0.3 2,-0.6 -0.971 2.1-167.6-110.5 128.5 -36.4 1.7 29.5 62 62 A I E -mn 44 83C 0 -19,-3.2 -17,-2.0 -2,-0.5 22,-0.2 -0.948 28.5-147.1-106.5 102.7 -34.3 1.0 26.4 63 63 A A > - 0 0 7 20,-2.6 3,-1.3 -2,-0.6 23,-0.2 -0.123 32.1 -59.7 -77.7 172.6 -37.0 1.1 23.8 64 64 A A T 3 S+ 0 0 1 1,-0.2 22,-2.3 21,-0.1 -17,-0.2 -0.069 114.6 13.9 -59.7 151.9 -36.9 -1.0 20.6 65 65 A Y T 3 S+ 0 0 0 -19,-1.9 2,-0.2 1,-0.2 -1,-0.2 0.377 84.9 144.0 71.3 2.8 -34.2 -0.9 17.9 66 66 A T < - 0 0 0 -3,-1.3 -17,-2.3 -20,-0.2 2,-0.5 -0.522 35.2-156.5 -84.2 134.1 -31.8 1.0 20.2 67 67 A A E -ef 49 88B 0 20,-2.3 22,-2.4 -19,-0.2 2,-0.6 -0.944 8.8-169.8-110.4 129.8 -28.1 0.1 19.8 68 68 A L E -ef 50 89B 0 -19,-2.7 -17,-2.2 -2,-0.5 2,-1.0 -0.956 3.5-169.7-116.8 103.4 -25.6 0.8 22.7 69 69 A Y E +ef 51 90B 40 20,-2.9 22,-2.5 -2,-0.6 23,-0.4 -0.849 14.5 168.5-100.0 91.5 -22.1 0.2 21.3 70 70 A G E > + 0 0 0 -19,-2.5 4,-2.8 -2,-1.0 -18,-0.2 0.705 10.8 178.7 -81.8 -21.3 -20.1 0.3 24.6 71 71 A G E 4 -e 52 0B 36 -20,-1.1 -18,-2.8 1,-0.2 -1,-0.2 -0.252 61.2 -47.9 56.1-141.2 -16.9 -1.0 23.2 72 72 A E E 4 S+ 0 0 186 -20,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.819 138.4 52.6 -98.1 -33.8 -14.2 -1.1 25.9 73 73 A V E 4 S- 0 0 57 1,-0.1 -2,-0.2 18,-0.1 44,-0.1 0.829 101.8-144.5 -71.7 -34.2 -14.6 2.3 27.5 74 74 A G E < - 0 0 2 -4,-2.8 44,-2.5 43,-0.1 2,-0.4 0.074 15.4-106.3 100.9 156.4 -18.4 2.0 28.1 75 75 A I E -eg 54 118B 3 -22,-1.6 -20,-2.7 42,-0.2 2,-0.4 -0.997 33.6-170.0-124.7 131.3 -21.7 3.6 28.2 76 76 A E E -eg 55 119B 46 42,-3.1 44,-2.8 -2,-0.4 2,-0.4 -0.988 8.5-166.9-126.3 134.4 -23.3 4.2 31.5 77 77 A M E -eg 56 120B 2 -22,-3.1 -20,-0.7 -2,-0.4 44,-0.2 -0.941 14.5-144.4-111.5 136.6 -26.8 5.3 32.4 78 78 A Y > - 0 0 80 42,-2.8 3,-1.7 -2,-0.4 -21,-0.1 -0.485 45.7 -57.3 -88.7 167.3 -27.8 6.5 35.9 79 79 A D T 3 S+ 0 0 64 1,-0.2 44,-1.2 -2,-0.2 -20,-0.2 -0.081 120.6 14.1 -44.2 140.2 -31.1 5.8 37.6 80 80 A F T 3 S+ 0 0 8 -22,-2.6 -1,-0.2 1,-0.3 2,-0.2 0.507 87.8 137.5 65.1 7.5 -34.3 6.9 35.9 81 81 A A < - 0 0 0 -3,-1.7 -20,-0.3 -23,-0.2 2,-0.3 -0.580 31.7-171.5 -69.0 144.6 -32.6 7.5 32.5 82 82 A N E - o 0 125C 11 42,-1.9 44,-1.9 -2,-0.2 2,-0.5 -0.980 14.2-153.1-143.3 147.5 -34.6 6.3 29.5 83 83 A I E -no 62 126C 1 -22,-3.0 -20,-2.6 -2,-0.3 44,-0.1 -0.993 17.7-138.3-126.5 125.5 -33.8 5.9 25.8 84 84 A S > - 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