==== 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 3VBN . COMPND 2 MOLECULE: GALACTOSIDE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR R.L.KUBIAK,H.M.HOLDEN . 559 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 430 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 174 31.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 6.1 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 . 1 0.2 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 . 53 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.9 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 2 1 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 18 24 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 2 2 3 0 1 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 1 A M 0 0 202 0, 0.0 2,-0.2 0, 0.0 216,-0.0 0.000 360.0 360.0 360.0-140.2 -12.5 47.9 -23.6 2 2 A N - 0 0 93 2,-0.1 214,-0.0 215,-0.1 215,-0.0 -0.894 360.0-135.1-173.0 161.6 -9.1 46.4 -24.6 3 3 A S + 0 0 14 -2,-0.2 23,-2.7 20,-0.0 24,-0.2 0.326 52.8 129.6-108.6 2.0 -5.5 47.0 -23.8 4 4 A F B -A 25 0A 36 21,-0.2 21,-0.3 22,-0.1 19,-0.1 -0.338 54.6-121.9 -81.1 142.6 -3.6 47.0 -27.1 5 5 A Y - 0 0 60 19,-2.6 2,-0.3 -2,-0.1 19,-0.2 -0.177 35.4-119.1 -51.0 158.6 -1.1 49.3 -28.7 6 6 A S > - 0 0 48 17,-0.1 4,-2.6 1,-0.1 3,-0.4 -0.781 30.0 -99.9-106.2 160.9 -2.1 50.6 -32.2 7 7 A Q H > S+ 0 0 66 -2,-0.3 4,-1.8 1,-0.3 -1,-0.1 0.824 126.2 57.6 -49.4 -33.8 -0.1 50.0 -35.3 8 8 A E H > S+ 0 0 131 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.951 107.8 40.7 -56.0 -61.3 1.2 53.5 -34.7 9 9 A E H > S+ 0 0 72 -3,-0.4 4,-0.8 1,-0.2 3,-0.4 0.880 108.9 62.2 -65.5 -37.0 2.6 53.0 -31.2 10 10 A L H >< S+ 0 0 1 -4,-2.6 3,-1.9 1,-0.2 4,-0.4 0.947 102.4 51.7 -43.0 -57.2 3.9 49.6 -32.2 11 11 A K H >< S+ 0 0 130 -4,-1.8 3,-0.6 1,-0.3 -1,-0.2 0.752 104.8 55.1 -54.7 -34.4 6.1 51.4 -34.7 12 12 A K H 3< S+ 0 0 150 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.606 90.3 78.2 -79.9 -9.5 7.5 53.8 -32.1 13 13 A I T << S- 0 0 34 -3,-1.9 -1,-0.2 -4,-0.8 -2,-0.2 0.778 97.4-126.0 -70.9 -30.7 8.7 50.9 -29.9 14 14 A G < - 0 0 46 -3,-0.6 2,-0.1 -4,-0.4 -3,-0.1 0.869 38.0-179.9 86.0 39.9 11.8 50.1 -32.0 15 15 A F - 0 0 21 -5,-0.4 19,-0.3 1,-0.1 3,-0.2 -0.447 40.7-121.7 -66.0 145.8 11.3 46.4 -32.6 16 16 A L S S- 0 0 105 17,-1.8 2,-0.3 20,-1.0 21,-0.2 0.941 96.9 -23.9 -47.9 -47.9 13.9 44.5 -34.6 17 17 A S E -b 37 0B 70 19,-1.0 21,-2.9 -3,-0.0 2,-0.4 -0.907 67.3-166.8-164.1 136.1 11.0 43.8 -36.9 18 18 A V E -b 38 0B 38 -2,-0.3 21,-0.2 -3,-0.2 22,-0.1 -0.976 12.4-145.9-132.4 127.2 7.2 43.7 -36.3 19 19 A G - 0 0 14 19,-2.7 3,-0.4 20,-0.9 2,-0.3 0.446 31.5 -76.0 -69.3-153.9 4.5 42.3 -38.6 20 20 A K S S+ 0 0 135 1,-0.2 21,-3.0 3,-0.0 22,-0.3 -0.768 108.4 25.3-110.6 159.4 0.9 43.3 -39.3 21 21 A N S S+ 0 0 76 -2,-0.3 2,-0.7 1,-0.2 21,-0.6 0.917 80.4 161.0 52.2 42.8 -2.0 42.7 -37.1 22 22 A V E -h 42 0C 3 -3,-0.4 2,-0.6 19,-0.2 -1,-0.2 -0.867 19.7-169.6 -92.1 114.1 0.3 42.6 -34.1 23 23 A L E +h 43 0C 58 19,-3.1 21,-2.7 -2,-0.7 2,-0.5 -0.895 10.1 172.0-105.0 109.5 -1.7 43.2 -30.8 24 24 A I E -h 44 0C 0 -2,-0.6 -19,-2.6 19,-0.2 21,-0.2 -0.981 30.9-124.3-117.2 134.4 0.5 43.8 -27.8 25 25 A S B > -A 4 0A 0 19,-2.7 3,-1.3 -2,-0.5 -21,-0.2 -0.458 8.3-137.3 -69.3 143.4 -1.1 44.9 -24.5 26 26 A K T 3 S+ 0 0 104 -23,-2.7 -1,-0.1 1,-0.2 -22,-0.1 0.568 104.2 69.7 -73.4 -7.8 0.3 48.1 -22.9 27 27 A K T 3 S+ 0 0 70 -24,-0.2 20,-1.3 2,-0.1 2,-0.3 0.390 85.4 87.5 -92.2 1.6 0.1 46.1 -19.7 28 28 A A S < S- 0 0 3 -3,-1.3 2,-0.4 18,-0.2 21,-0.2 -0.684 77.3-125.4 -93.7 160.4 3.0 43.9 -20.9 29 29 A S E -o 49 0D 3 19,-2.5 21,-2.8 -2,-0.3 2,-0.5 -0.884 19.0-167.7-102.8 129.5 6.7 44.6 -20.4 30 30 A I E -o 50 0D 16 -2,-0.4 2,-0.5 19,-0.2 21,-0.2 -0.930 6.0-172.5-122.3 109.8 9.1 44.7 -23.4 31 31 A Y E -o 51 0D 35 19,-3.8 21,-0.6 -2,-0.5 346,-0.1 -0.887 69.2 -2.7-110.8 129.1 12.8 44.8 -22.5 32 32 A N > + 0 0 99 -2,-0.5 3,-1.6 344,-0.3 -1,-0.2 0.968 67.9 178.3 57.0 66.5 15.4 45.3 -25.3 33 33 A P G > + 0 0 18 0, 0.0 3,-2.3 0, 0.0 -17,-1.8 0.740 66.9 83.7 -72.9 -21.0 12.9 45.4 -28.2 34 34 A G G 3 S+ 0 0 35 1,-0.3 -19,-0.1 -19,-0.3 -2,-0.1 0.568 100.5 35.9 -54.8 -13.7 15.8 46.1 -30.5 35 35 A V G < S+ 0 0 45 -3,-1.6 19,-1.1 17,-0.1 2,-0.5 0.094 96.5 99.1-126.5 26.4 16.3 42.3 -30.6 36 36 A I E < - c 0 54B 0 -3,-2.3 -19,-1.0 17,-0.2 -20,-1.0 -0.934 52.0-169.1-114.3 130.4 12.6 41.2 -30.5 37 37 A S E -bc 17 55B 14 17,-2.9 19,-4.1 -2,-0.5 2,-0.4 -0.963 6.6-172.0-130.2 134.8 10.9 40.2 -33.7 38 38 A I E -bc 18 56B 2 -21,-2.9 -19,-2.7 -2,-0.4 19,-0.2 -0.979 6.5-159.1-129.8 124.4 7.3 39.5 -34.5 39 39 A G - 0 0 21 17,-2.3 -20,-0.9 18,-1.7 3,-0.3 0.496 48.1 -51.7 -70.4-135.9 5.7 38.1 -37.7 40 40 A N S S+ 0 0 72 1,-0.2 19,-2.4 -21,-0.2 20,-0.3 -0.699 109.0 17.6-112.6 164.8 2.1 38.7 -38.5 41 41 A N S S+ 0 0 34 -21,-3.0 19,-0.5 -2,-0.2 18,-0.5 0.918 80.9 156.3 44.2 58.4 -1.1 38.1 -36.6 42 42 A V E -hi 22 60C 1 -21,-0.6 -19,-3.1 -3,-0.3 2,-0.4 -0.930 26.4-162.8-109.6 141.6 0.5 37.9 -33.2 43 43 A R E -hi 23 61C 69 17,-2.4 19,-3.3 -2,-0.4 2,-0.5 -0.977 7.8-178.7-127.2 125.6 -1.2 38.6 -29.8 44 44 A I E -hi 24 62C 0 -21,-2.7 -19,-2.7 -2,-0.4 19,-0.2 -0.958 20.4-151.3-121.9 114.0 0.6 39.3 -26.5 45 45 A D > - 0 0 11 17,-2.0 3,-1.3 -2,-0.5 20,-0.3 -0.165 32.9 -55.5 -88.7 171.5 -1.7 39.8 -23.5 46 46 A D T 3 S+ 0 0 7 1,-0.2 19,-1.6 18,-0.1 -18,-0.2 0.086 114.8 13.0 -41.9 144.8 -1.5 41.8 -20.2 47 47 A F T 3 S+ 0 0 7 -20,-1.3 -1,-0.2 17,-0.2 -19,-0.2 0.550 84.1 138.1 63.8 11.8 1.4 41.1 -17.9 48 48 A C < - 0 0 0 -3,-1.3 -19,-2.5 17,-0.2 2,-0.4 -0.547 41.2-148.2 -76.5 154.4 3.6 39.2 -20.2 49 49 A I E -op 29 67D 7 17,-1.8 19,-2.6 -21,-0.2 2,-0.5 -0.999 12.9-172.0-121.5 128.0 7.3 40.0 -20.1 50 50 A L E +op 30 68D 0 -21,-2.8 -19,-3.8 -2,-0.4 2,-0.3 -0.984 13.9 172.3-112.0 123.4 9.5 39.8 -23.1 51 51 A S E -op 31 69D 43 17,-2.6 19,-2.9 -2,-0.5 20,-0.4 -0.969 44.9 -19.1-128.1 144.2 13.2 40.3 -22.3 52 52 A G S S+ 0 0 9 -21,-0.6 2,-0.6 -2,-0.3 20,-0.2 0.003 112.5 7.8 57.2-161.5 16.2 39.9 -24.6 53 53 A K S S+ 0 0 58 18,-3.1 22,-2.3 17,-0.2 2,-0.4 -0.268 73.0 156.3 -61.7 99.3 16.5 38.0 -27.9 54 54 A V E -cd 36 75B 1 -19,-1.1 -17,-2.9 -2,-0.6 2,-0.4 -0.995 18.1-176.7-126.8 133.8 12.9 36.8 -28.8 55 55 A T E -cd 37 76B 33 20,-2.5 22,-2.7 -2,-0.4 2,-0.4 -0.972 3.9-175.1-129.0 116.0 11.7 36.0 -32.3 56 56 A I E -cd 38 77B 3 -19,-4.1 -17,-2.3 -2,-0.4 22,-0.1 -0.942 10.5-152.7-116.2 133.7 8.0 35.1 -32.9 57 57 A G - 0 0 17 20,-1.7 -18,-1.7 -2,-0.4 2,-0.3 0.718 42.4 -58.2 -71.0-122.4 6.7 34.0 -36.2 58 58 A S S S+ 0 0 23 -19,-0.3 22,-2.0 1,-0.2 -17,-0.2 -0.962 106.4 24.4-137.1 145.7 3.1 34.5 -37.3 59 59 A Y S S+ 0 0 24 -19,-2.4 2,-0.4 -18,-0.5 -17,-0.2 0.921 81.9 143.9 64.7 47.5 -0.3 33.4 -35.9 60 60 A S E -i 42 0C 0 -19,-0.5 -17,-2.4 -20,-0.3 2,-0.5 -0.971 38.9-156.1-119.0 131.5 0.9 33.1 -32.4 61 61 A H E -i 43 0C 31 -2,-0.4 22,-2.9 20,-0.3 2,-0.7 -0.950 3.6-168.9 -94.8 118.6 -0.9 33.9 -29.2 62 62 A I E -ij 44 83C 0 -19,-3.3 -17,-2.0 -2,-0.5 22,-0.2 -0.927 25.7-146.7 -99.6 97.8 1.3 34.6 -26.1 63 63 A A > - 0 0 7 20,-2.6 3,-1.3 -2,-0.7 24,-0.2 -0.134 31.0 -61.3 -66.2 167.0 -1.4 34.6 -23.3 64 64 A A T 3 S+ 0 0 0 1,-0.2 22,-2.2 21,-0.1 23,-0.2 -0.082 113.6 13.6 -52.8 143.9 -1.3 36.7 -20.2 65 65 A Y T 3 S+ 0 0 0 -19,-1.6 -1,-0.2 -20,-0.3 2,-0.2 0.326 84.1 142.9 78.6 1.0 1.4 36.5 -17.6 66 66 A T < - 0 0 0 -3,-1.3 -17,-1.8 -20,-0.2 2,-0.4 -0.527 35.9-155.6 -80.4 136.6 3.8 34.6 -19.8 67 67 A A E -pq 49 88D 0 20,-2.1 22,-1.9 -19,-0.2 2,-0.5 -0.909 8.2-166.2-112.6 142.1 7.4 35.6 -19.4 68 68 A L E -pq 50 89D 1 -19,-2.6 -17,-2.6 -2,-0.4 2,-1.4 -0.948 1.4-168.4-129.2 106.6 10.1 35.0 -22.2 69 69 A Y E +pq 51 90D 48 20,-2.7 22,-2.5 -2,-0.5 23,-0.3 -0.759 15.4 170.6-104.3 86.7 13.6 35.4 -20.9 70 70 A G > + 0 0 0 -19,-2.9 4,-2.3 -2,-1.4 -18,-0.2 0.727 13.0 177.1 -75.8 -25.9 15.2 35.5 -24.3 71 71 A G T 4 - 0 0 33 -20,-0.4 -18,-3.1 1,-0.2 -1,-0.2 -0.072 56.8 -53.1 54.5-155.9 18.6 36.5 -23.0 72 72 A E T 4 S+ 0 0 191 -20,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.819 139.4 49.8 -85.4 -31.5 21.5 36.8 -25.4 73 73 A V T 4 S- 0 0 64 1,-0.1 -2,-0.2 18,-0.1 -1,-0.1 0.673 103.8-154.2 -82.3 -20.2 21.1 33.3 -26.9 74 74 A G < - 0 0 2 -4,-2.3 44,-1.8 43,-0.2 2,-0.4 0.332 17.3-102.4 88.9 161.9 17.3 33.7 -27.5 75 75 A I E -de 54 118B 2 -22,-2.3 -20,-2.5 42,-0.2 2,-0.4 -0.997 31.2-171.9-132.2 137.7 14.0 32.1 -27.9 76 76 A E E -de 55 119B 50 42,-2.6 44,-1.8 -2,-0.4 2,-0.4 -0.982 8.7-159.4-132.4 145.6 12.3 31.6 -31.2 77 77 A M E -de 56 120B 3 -22,-2.7 -20,-1.7 -2,-0.4 44,-0.2 -0.983 12.0-143.6-125.0 131.1 8.8 30.4 -32.1 78 78 A Y > - 0 0 79 42,-3.7 3,-1.2 -2,-0.4 -21,-0.3 -0.205 48.0 -65.1 -78.8 174.1 7.9 29.0 -35.5 79 79 A D T 3 S+ 0 0 55 1,-0.2 44,-1.3 -22,-0.1 -20,-0.2 -0.296 118.4 19.6 -65.9 148.4 4.4 29.8 -37.0 80 80 A F T 3 S+ 0 0 9 -22,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.598 86.5 139.6 66.4 9.6 1.2 28.6 -35.4 81 81 A A < - 0 0 0 -3,-1.2 2,-0.3 42,-0.2 -1,-0.3 -0.681 31.1-171.8 -73.7 136.7 3.1 28.1 -32.1 82 82 A N E - k 0 125C 11 42,-3.3 44,-2.1 -2,-0.3 2,-0.5 -0.993 14.6-157.3-136.3 146.5 0.9 29.2 -29.0 83 83 A I E -jk 62 126C 3 -22,-2.9 -20,-2.6 -2,-0.3 44,-0.2 -0.971 15.7-141.2-129.1 121.5 1.7 29.6 -25.4 84 84 A S > - 0 0 20 42,-3.2 3,-0.9 -2,-0.5 46,-0.1 -0.010 44.0 -53.9 -78.8-176.2 -1.0 29.5 -22.7 85 85 A S T 3 S+ 0 0 0 1,-0.2 44,-3.0 43,-0.1 45,-0.3 -0.217 114.0 8.5 -69.1 149.8 -1.2 31.7 -19.6 86 86 A R T 3 S+ 0 0 1 -22,-2.2 2,-0.3 1,-0.2 -1,-0.2 0.720 84.1 152.0 59.2 32.7 1.5 32.0 -17.0 87 87 A T < - 0 0 0 -3,-0.9 -20,-2.1 -23,-0.2 2,-0.4 -0.695 29.3-158.8 -86.2 141.9 4.1 30.1 -19.0 88 88 A I E -qr 67 131D 0 42,-2.7 44,-2.4 -2,-0.3 2,-0.4 -0.991 7.1-172.4-113.5 133.7 7.7 30.9 -18.5 89 89 A V E -qr 68 132D 0 -22,-1.9 -20,-2.7 -2,-0.4 2,-0.5 -0.971 10.5-164.0-114.9 133.6 10.4 30.1 -21.1 90 90 A Y E -q 69 0D 27 42,-2.6 -20,-0.2 -2,-0.4 3,-0.1 -0.961 21.6-174.0-118.1 129.6 14.0 30.6 -20.0 91 91 A A S S+ 0 0 0 -22,-2.5 25,-1.7 -2,-0.5 2,-0.3 0.522 82.8 29.8 -91.5 -9.5 16.9 30.8 -22.4 92 92 A A E -T 115 0E 39 -23,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.950 67.2-175.0-149.8 125.0 19.2 30.9 -19.4 93 93 A I E -T 114 0E 39 21,-3.1 21,-3.6 -2,-0.3 19,-0.0 -0.909 25.0-115.7-121.6 158.7 19.2 29.6 -15.9 94 94 A A - 0 0 29 -2,-0.3 2,-0.7 19,-0.2 8,-0.1 -0.142 42.0 -97.7 -65.8 172.0 21.3 29.8 -12.7 95 95 A D > - 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