==== 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 3VBP . COMPND 2 MOLECULE: GALACTOSIDE O-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR R.L.KUBIAK,H.M.HOLDEN . 557 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 176 31.6 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 . 47 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 8.1 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 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 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 2 A N 0 0 157 0, 0.0 214,-0.0 0, 0.0 216,-0.0 0.000 360.0 360.0 360.0 154.6 -8.8 46.1 -24.8 2 3 A S + 0 0 20 20,-0.0 23,-3.5 2,-0.0 24,-0.3 0.046 360.0 134.2-108.1 22.5 -5.3 47.1 -23.7 3 4 A F B -A 24 0A 30 21,-0.3 21,-0.2 22,-0.1 19,-0.1 -0.470 55.2-113.9 -87.2 148.3 -3.4 47.1 -27.0 4 5 A Y - 0 0 53 19,-2.2 2,-0.2 -2,-0.2 19,-0.2 -0.313 36.0-115.0 -57.3 148.8 -1.0 49.4 -28.8 5 6 A S > - 0 0 52 1,-0.1 4,-2.1 17,-0.1 -1,-0.1 -0.605 30.2-103.6 -82.9 152.6 -2.2 51.0 -32.0 6 7 A Q H > S+ 0 0 97 -2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.890 124.4 56.2 -37.3 -44.6 -0.5 50.2 -35.3 7 8 A E H >> S+ 0 0 114 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.969 104.1 44.7 -53.2 -71.8 1.1 53.6 -34.7 8 9 A E H 3> S+ 0 0 73 1,-0.3 4,-0.9 2,-0.2 3,-0.4 0.763 103.5 66.9 -51.7 -35.4 2.7 53.2 -31.2 9 10 A L H >X S+ 0 0 5 -4,-2.1 3,-2.0 1,-0.2 4,-0.7 0.934 97.0 53.9 -46.9 -52.1 4.2 49.8 -32.2 10 11 A K H << S+ 0 0 131 -3,-1.3 3,-0.4 -4,-1.1 -1,-0.2 0.803 104.3 56.2 -56.6 -32.1 6.4 51.5 -34.8 11 12 A K H 3< S+ 0 0 152 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.738 91.5 73.5 -74.5 -16.0 7.7 53.8 -32.0 12 13 A I H << S- 0 0 40 -3,-2.0 -1,-0.2 -4,-0.9 -2,-0.2 0.884 97.1-131.2 -68.9 -36.2 8.8 50.8 -29.9 13 14 A G < + 0 0 44 -4,-0.7 2,-0.3 -3,-0.4 22,-0.2 0.889 35.1 176.8 87.5 42.6 11.8 49.9 -32.1 14 15 A F - 0 0 19 -5,-0.4 19,-0.3 1,-0.1 -1,-0.2 -0.617 42.2-119.2 -71.0 136.0 11.4 46.2 -32.7 15 16 A L S S- 0 0 111 17,-1.4 2,-0.3 20,-0.9 21,-0.2 0.908 96.3 -18.6 -37.7 -50.0 13.9 44.5 -35.0 16 17 A S E -b 36 0B 68 19,-0.9 21,-1.7 -3,-0.0 2,-0.3 -0.984 65.5-179.2-157.7 157.5 10.9 43.7 -37.1 17 18 A V E -b 37 0B 41 -2,-0.3 21,-0.2 19,-0.2 22,-0.1 -0.862 12.9-159.0-159.8 122.6 7.2 43.5 -36.5 18 19 A G - 0 0 20 19,-2.0 3,-0.3 20,-1.7 2,-0.2 0.390 32.2 -57.0 -87.1-138.7 4.5 42.6 -39.0 19 20 A K S S+ 0 0 122 1,-0.2 21,-3.5 3,-0.0 22,-0.3 -0.622 104.9 27.7-108.7 166.6 0.8 43.2 -39.4 20 21 A N S S+ 0 0 119 19,-0.2 2,-0.7 -2,-0.2 21,-0.5 0.909 81.3 160.6 50.7 44.3 -2.3 42.4 -37.3 21 22 A V - 0 0 10 -3,-0.3 2,-0.7 19,-0.2 -1,-0.2 -0.862 21.5-174.2-103.2 109.7 -0.0 42.6 -34.2 22 23 A L E +l 42 0C 75 19,-2.6 21,-2.6 -2,-0.7 2,-0.5 -0.901 6.5 173.6-107.8 111.1 -1.7 43.2 -30.8 23 24 A I E -l 43 0C 0 -2,-0.7 -19,-2.2 19,-0.2 21,-0.2 -0.985 32.4-120.3-111.7 124.1 0.6 43.8 -27.9 24 25 A S B > -A 3 0A 0 19,-3.0 3,-1.1 -2,-0.5 -21,-0.3 -0.288 7.0-139.2 -51.8 135.8 -0.9 44.8 -24.5 25 26 A K T 3 S+ 0 0 107 -23,-3.5 -1,-0.1 1,-0.2 -22,-0.1 0.633 105.1 67.7 -65.6 -16.2 0.3 48.1 -23.0 26 27 A K T 3 S+ 0 0 58 -24,-0.3 -1,-0.2 2,-0.1 20,-0.2 0.575 85.6 90.4 -83.8 -5.1 0.3 46.1 -19.7 27 28 A A S < S- 0 0 3 -3,-1.1 2,-0.4 16,-0.2 21,-0.2 -0.375 73.9-131.3 -81.5 158.7 3.2 43.9 -21.0 28 29 A S E -c 48 0B 3 19,-2.3 21,-2.4 -2,-0.1 2,-0.5 -0.973 18.4-168.2-114.1 137.2 6.8 44.8 -20.5 29 30 A I E -c 49 0B 27 -2,-0.4 2,-0.5 19,-0.2 21,-0.2 -0.978 3.6-168.6-126.0 114.4 9.2 44.7 -23.4 30 31 A Y E S-c 50 0B 51 19,-3.0 21,-0.7 -2,-0.5 -2,-0.0 -0.927 70.2 -2.6-110.8 133.9 13.0 44.9 -22.8 31 32 A N S > S- 0 0 105 -2,-0.5 3,-1.7 19,-0.1 -1,-0.2 0.958 70.2-177.8 60.2 59.2 15.6 45.4 -25.5 32 33 A P G > + 0 0 33 0, 0.0 -17,-1.4 0, 0.0 3,-0.8 0.568 69.4 78.0 -67.5 -9.1 12.9 45.5 -28.3 33 34 A G G 3 S+ 0 0 37 -19,-0.3 -2,-0.1 1,-0.2 -19,-0.1 0.688 96.9 43.5 -76.4 -21.2 15.7 45.9 -30.8 34 35 A V G < S+ 0 0 47 -3,-1.7 19,-1.0 17,-0.1 2,-0.4 0.265 99.4 92.4 -98.9 7.6 16.6 42.2 -30.6 35 36 A I E < - d 0 53B 0 -3,-0.8 -19,-0.9 17,-0.2 -20,-0.9 -0.896 53.9-174.4-110.0 136.3 12.9 41.2 -30.6 36 37 A S E -bd 16 54B 18 17,-2.1 19,-3.1 -2,-0.4 2,-0.4 -0.981 4.9-169.3-136.2 138.9 11.1 40.3 -33.9 37 38 A I E -bd 17 55B 3 -21,-1.7 -19,-2.0 -2,-0.4 19,-0.2 -0.983 7.4-154.5-135.6 129.4 7.5 39.5 -34.6 38 39 A G - 0 0 19 17,-1.7 -20,-1.7 18,-1.5 2,-0.3 0.507 48.3 -55.9 -75.7-131.6 5.8 38.1 -37.7 39 40 A N S S+ 0 0 67 1,-0.2 19,-2.0 -21,-0.2 20,-0.2 -0.855 108.9 21.4-116.0 149.1 2.1 38.7 -38.5 40 41 A N S S+ 0 0 30 -21,-3.5 19,-1.1 -2,-0.3 18,-0.7 0.987 79.2 156.0 64.4 53.0 -1.0 38.1 -36.6 41 42 A V E - m 0 59C 2 -21,-0.5 -19,-2.6 -22,-0.3 2,-0.4 -0.908 25.8-163.5-107.2 141.2 0.6 37.9 -33.2 42 43 A R E -lm 22 60C 80 17,-2.1 19,-3.8 -2,-0.4 2,-0.4 -0.984 6.9-177.8-129.9 127.8 -1.2 38.5 -29.8 43 44 A I E -lm 23 61C 0 -21,-2.6 -19,-3.0 -2,-0.4 19,-0.2 -0.985 19.4-149.7-124.7 120.5 0.6 39.2 -26.5 44 45 A D > - 0 0 15 17,-2.1 3,-1.3 -2,-0.4 20,-0.2 -0.085 32.6 -57.7 -95.6 174.4 -1.6 39.7 -23.5 45 46 A D T 3 S+ 0 0 7 1,-0.2 19,-1.9 18,-0.1 20,-0.2 -0.085 115.3 13.8 -47.9 146.6 -1.4 41.7 -20.2 46 47 A F T 3 S+ 0 0 6 1,-0.2 -1,-0.2 17,-0.2 -19,-0.2 0.512 85.1 141.3 73.3 0.7 1.5 41.2 -17.8 47 48 A C < - 0 0 0 -3,-1.3 -19,-2.3 17,-0.1 2,-0.4 -0.426 39.1-149.7 -67.4 152.7 3.7 39.2 -20.3 48 49 A I E -ce 28 66B 6 17,-2.2 19,-3.0 -21,-0.2 2,-0.5 -0.985 12.6-173.9-124.4 117.1 7.4 40.0 -20.2 49 50 A L E +ce 29 67B 0 -21,-2.4 -19,-3.0 -2,-0.4 2,-0.4 -0.975 17.0 177.8-104.3 124.5 9.5 39.7 -23.3 50 51 A S E -ce 30 68B 35 17,-2.6 19,-2.9 -2,-0.5 20,-0.6 -0.971 42.8 -25.5-129.8 137.4 13.2 40.2 -22.4 51 52 A G E S+ e 0 70B 9 -21,-0.7 2,-0.4 -2,-0.4 20,-0.2 -0.264 115.5 12.1 59.8-149.2 16.4 40.1 -24.6 52 53 A K E S+ 0 0 60 18,-2.4 22,-1.5 -17,-0.1 2,-0.4 -0.373 72.9 153.0 -71.0 110.5 16.4 38.0 -27.7 53 54 A V E -de 35 74B 0 -19,-1.0 -17,-2.1 -2,-0.4 2,-0.4 -0.999 19.4-174.1-143.0 138.5 13.0 36.8 -28.9 54 55 A T E -de 36 75B 34 20,-2.4 22,-3.2 -2,-0.4 2,-0.4 -0.987 4.2-177.6-136.7 124.9 11.6 35.9 -32.3 55 56 A I E -d 37 0B 3 -19,-3.1 -17,-1.7 -2,-0.4 22,-0.2 -0.959 10.1-156.0-123.7 136.3 8.0 35.1 -33.0 56 57 A G - 0 0 14 20,-0.4 -18,-1.5 -2,-0.4 2,-0.3 0.506 42.7 -58.7 -82.2-126.5 6.7 34.0 -36.4 57 58 A S S S+ 0 0 17 -19,-0.2 22,-2.3 1,-0.2 -17,-0.2 -0.887 105.8 28.6-131.0 151.6 3.0 34.4 -37.3 58 59 A Y S S+ 0 0 31 -19,-2.0 2,-0.4 -18,-0.7 -17,-0.2 0.938 84.4 141.0 65.9 47.1 -0.4 33.3 -36.0 59 60 A S E -m 41 0C 0 -19,-1.1 -17,-2.1 -20,-0.2 2,-0.5 -0.983 39.8-158.3-124.3 135.9 0.9 33.0 -32.5 60 61 A H E -m 42 0C 27 -2,-0.4 22,-3.2 -19,-0.2 2,-0.7 -0.961 1.4-167.4-106.0 126.4 -0.8 33.9 -29.2 61 62 A I E -mn 43 82C 0 -19,-3.8 -17,-2.1 -2,-0.5 22,-0.2 -0.935 27.1-146.2-105.4 102.6 1.4 34.6 -26.1 62 63 A A > - 0 0 8 20,-2.7 3,-1.4 -2,-0.7 23,-0.2 -0.074 30.6 -60.0 -78.5 177.3 -1.2 34.6 -23.3 63 64 A A T 3 S+ 0 0 1 1,-0.2 22,-1.5 21,-0.1 23,-0.2 -0.161 114.8 12.6 -67.5 148.5 -1.3 36.7 -20.2 64 65 A Y T 3 S+ 0 0 0 -19,-1.9 -1,-0.2 1,-0.2 2,-0.2 0.396 85.5 149.3 73.4 6.5 1.5 36.6 -17.5 65 66 A T < - 0 0 0 -3,-1.4 -17,-2.2 -20,-0.2 2,-0.4 -0.500 32.4-156.2 -81.1 131.9 3.9 34.7 -19.9 66 67 A A E -ef 48 87B 0 20,-2.9 22,-1.8 -19,-0.2 2,-0.5 -0.927 11.3-175.8-109.2 130.8 7.6 35.4 -19.4 67 68 A L E -ef 49 88B 0 -19,-3.0 -17,-2.6 -2,-0.4 2,-1.0 -0.943 3.2-171.8-126.5 109.9 10.1 34.9 -22.3 68 69 A Y E +ef 50 89B 46 20,-2.6 22,-2.3 -2,-0.5 23,-0.3 -0.830 10.0 172.8-109.6 94.3 13.6 35.5 -21.1 69 70 A G E > + 0 0 0 -19,-2.9 4,-2.6 -2,-1.0 -18,-0.2 0.733 12.3 179.2 -76.6 -28.8 15.5 35.4 -24.4 70 71 A G E 4 -e 51 0B 35 -20,-0.6 -18,-2.4 1,-0.2 -1,-0.2 -0.249 59.9 -49.2 61.9-145.2 18.8 36.5 -23.0 71 72 A E E 4 S+ 0 0 187 -20,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.904 139.3 52.2 -88.6 -44.0 21.6 36.6 -25.6 72 73 A V E 4 S- 0 0 60 18,-0.1 -2,-0.2 1,-0.1 44,-0.1 0.882 102.4-148.8 -60.0 -42.2 21.0 33.2 -27.2 73 74 A G E < - 0 0 2 -4,-2.6 44,-1.9 43,-0.1 2,-0.4 -0.059 14.2-102.7 102.7 162.4 17.4 33.7 -27.8 74 75 A I E -eg 53 117B 2 -22,-1.5 -20,-2.4 42,-0.2 2,-0.4 -0.997 32.1-169.9-129.9 134.1 14.0 32.1 -28.0 75 76 A E E -eg 54 118B 53 42,-2.4 44,-2.5 -2,-0.4 2,-0.4 -0.991 6.0-169.6-127.8 124.0 12.4 31.5 -31.3 76 77 A M E - g 0 119B 1 -22,-3.2 -20,-0.4 -2,-0.4 2,-0.2 -0.888 14.6-145.2-101.9 144.3 8.9 30.4 -32.0 77 78 A Y > - 0 0 74 42,-2.2 3,-1.7 -2,-0.4 45,-0.1 -0.546 44.1 -54.6-100.0 171.1 7.8 29.3 -35.5 78 79 A D T 3 S+ 0 0 66 1,-0.2 44,-1.4 -2,-0.2 45,-0.2 -0.073 119.9 11.1 -54.4 139.2 4.4 29.8 -37.2 79 80 A F T 3 S+ 0 0 9 -22,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.492 86.7 135.7 72.2 2.8 1.3 28.7 -35.4 80 81 A A < - 0 0 0 -3,-1.7 2,-0.3 -23,-0.2 -1,-0.3 -0.666 33.8-171.4 -72.2 135.3 3.0 28.0 -32.1 81 82 A N E - o 0 124C 10 42,-2.2 44,-2.0 -2,-0.3 2,-0.5 -0.947 13.1-151.9-129.8 151.8 0.9 29.4 -29.2 82 83 A I E -no 61 125C 1 -22,-3.2 -20,-2.7 -2,-0.3 44,-0.2 -0.964 14.4-140.5-129.2 119.0 1.8 29.7 -25.5 83 84 A S > - 0 0 21 42,-3.2 3,-0.9 -2,-0.5 46,-0.2 -0.059 41.9 -58.5 -75.0 177.0 -0.8 29.6 -22.8 84 85 A S T 3 S+ 0 0 2 1,-0.2 44,-3.1 43,-0.1 -20,-0.2 -0.210 110.7 12.1 -68.3 144.6 -0.9 31.7 -19.6 85 86 A R T 3 S+ 0 0 2 -22,-1.5 -1,-0.2 1,-0.3 2,-0.2 0.641 85.2 149.3 72.3 23.5 1.7 32.0 -16.9 86 87 A T < - 0 0 0 -3,-0.9 -20,-2.9 -23,-0.2 2,-0.4 -0.551 30.8-158.4 -85.2 153.7 4.3 30.2 -18.9 87 88 A I E -fh 66 130B 0 42,-2.5 44,-2.5 -22,-0.2 2,-0.4 -0.995 8.5-174.7-127.0 136.9 8.0 30.8 -18.5 88 89 A V E -fh 67 131B 0 -22,-1.8 -20,-2.6 -2,-0.4 2,-0.4 -1.000 10.4-165.6-127.5 124.1 10.7 30.0 -21.1 89 90 A Y E -f 68 0B 27 42,-2.6 -20,-0.2 -2,-0.4 3,-0.1 -0.949 19.5-172.0-111.2 135.5 14.2 30.7 -20.0 90 91 A A S S+ 0 0 0 -22,-2.3 25,-1.8 -2,-0.4 2,-0.3 0.390 83.6 32.4 -97.9 -1.5 17.1 30.8 -22.4 91 92 A A E +S 114 0D 38 -23,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.976 67.2 175.8-151.3 139.7 19.4 30.9 -19.5 92 93 A I E -S 113 0D 40 21,-2.9 21,-3.2 -2,-0.3 2,-0.2 -0.977 27.4-113.8-144.9 162.5 19.4 29.6 -16.0 93 94 A N - 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