==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-SEP-04 1XHD . COMPND 2 MOLECULE: PUTATIVE ACETYLTRANSFERASE/ACYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR J.OSIPIUK,M.ZHOU,S.MOY,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 86.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 34.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 1 0.6 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 . 2 1.2 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 . 23 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 13 3 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 0 0 0 1 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 S 0 0 72 0, 0.0 2,-1.1 0, 0.0 21,-0.1 0.000 360.0 360.0 360.0 -49.3 -2.1 10.8 86.6 2 -1 A N + 0 0 112 2,-0.1 22,-3.3 0, 0.0 2,-0.3 -0.788 360.0 129.7 -84.6 73.7 -4.9 10.8 84.0 3 0 A A - 0 0 24 -2,-1.1 2,-0.5 20,-0.2 23,-0.2 -0.932 58.0-121.9-130.3 153.1 -5.1 14.7 84.4 4 1 A X E -a 26 0A 89 21,-2.6 23,-2.6 -2,-0.3 2,-0.5 -0.876 24.7-179.4-101.1 126.8 -5.1 17.5 81.8 5 2 A I E +a 27 0A 82 -2,-0.5 23,-0.2 21,-0.2 21,-0.0 -0.990 12.5 174.2-124.1 116.8 -2.4 20.2 82.0 6 3 A Y E -a 28 0A 131 21,-1.9 23,-2.1 -2,-0.5 2,-0.1 -0.963 28.7-123.8-120.5 149.8 -2.6 22.9 79.3 7 4 A P - 0 0 80 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.398 14.4-147.5 -71.9 157.1 -0.8 26.2 78.6 8 5 A Y B > -L 11 0B 108 3,-2.6 3,-2.0 20,-0.1 2,-0.1 -0.919 67.9 -54.3-123.7 107.2 -2.8 29.3 78.3 9 6 A K T 3 S- 0 0 155 -2,-0.4 20,-0.1 1,-0.3 -1,-0.0 -0.411 124.4 -13.5 57.8-125.8 -0.9 31.3 75.8 10 7 A E T 3 S+ 0 0 146 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.485 119.1 90.1 -86.3 0.6 2.6 31.6 77.1 11 8 A K B < -L 8 0B 52 -3,-2.0 -3,-2.6 36,-0.1 18,-0.4 -0.840 49.5-176.3-104.8 137.3 1.9 30.4 80.7 12 9 A K - 0 0 117 -2,-0.5 16,-0.1 -5,-0.2 -2,-0.0 -0.932 37.9 -92.9-122.3 145.7 2.1 26.9 81.8 13 10 A P - 0 0 15 0, 0.0 2,-0.6 0, 0.0 19,-0.2 -0.264 29.6-148.7 -58.2 140.1 1.2 25.6 85.3 14 11 A K E +b 32 0A 100 17,-2.9 19,-2.6 15,-0.1 2,-0.5 -0.945 22.4 178.4-114.0 107.0 4.1 25.3 87.7 15 12 A I E -b 33 0A 53 -2,-0.6 19,-0.2 17,-0.2 20,-0.1 -0.949 31.1-116.1-121.0 124.2 3.4 22.5 90.1 16 13 A A > - 0 0 17 17,-2.6 3,-1.7 -2,-0.5 18,-0.0 -0.216 24.5-122.9 -56.7 142.6 5.7 21.4 92.9 17 14 A S T 3 S+ 0 0 108 1,-0.3 -1,-0.1 18,-0.0 17,-0.1 0.792 112.0 54.0 -60.5 -25.7 7.1 17.8 92.4 18 15 A S T 3 S+ 0 0 24 2,-0.1 -1,-0.3 151,-0.0 2,-0.2 0.491 85.5 106.8 -87.0 -5.4 5.7 16.9 95.8 19 16 A A < - 0 0 2 -3,-1.7 2,-0.6 14,-0.2 19,-0.2 -0.496 67.6-132.6 -73.5 145.0 2.1 18.0 95.0 20 17 A F E -m 38 0C 2 17,-2.4 19,-2.7 -2,-0.2 2,-0.6 -0.895 20.0-173.2 -97.5 122.7 -0.6 15.4 94.4 21 18 A I E -m 39 0C 20 -2,-0.6 19,-0.2 17,-0.2 3,-0.1 -0.967 19.8-145.2-118.1 107.9 -2.7 16.1 91.3 22 19 A A > - 0 0 0 17,-2.9 3,-1.1 -2,-0.6 20,-0.1 -0.068 27.8 -75.5 -69.0 170.6 -5.5 13.6 91.2 23 20 A D T 3 S+ 0 0 38 1,-0.2 19,-1.4 -20,-0.1 -20,-0.2 -0.296 113.1 21.2 -65.2 147.6 -7.2 12.0 88.2 24 21 A Y T 3 S+ 0 0 158 -22,-3.3 2,-0.3 1,-0.3 -1,-0.2 0.639 88.5 138.2 67.3 18.5 -9.6 14.0 86.1 25 22 A V < - 0 0 0 -3,-1.1 -21,-2.6 -23,-0.2 2,-0.4 -0.737 38.9-157.0 -87.5 141.9 -8.1 17.3 87.3 26 23 A T E +ac 4 44A 36 17,-2.0 19,-2.9 -2,-0.3 2,-0.4 -0.990 13.8 175.6-118.8 126.5 -7.6 20.0 84.7 27 24 A I E +ac 5 45A 0 -23,-2.6 -21,-1.9 -2,-0.4 2,-0.3 -0.997 9.2 175.4-129.4 127.5 -5.1 22.8 85.4 28 25 A T E -ac 6 46A 13 17,-2.5 19,-1.9 -2,-0.4 -16,-0.1 -0.956 36.6 -23.1-129.8 154.6 -4.3 25.4 82.8 29 26 A G E S+ c 0 47A 0 -23,-2.1 2,-2.0 -18,-0.4 19,-0.2 -0.239 110.1 20.6 66.0-133.4 -2.3 28.6 82.4 30 27 A D E S+ 0 0 38 17,-2.5 22,-2.3 -17,-0.1 2,-0.4 -0.455 85.1 131.6 -89.1 70.4 -1.1 30.9 85.1 31 28 A V E - c 0 52A 0 -2,-2.0 -17,-2.9 20,-0.2 2,-0.4 -0.978 35.0-169.2-130.4 135.3 -1.2 28.6 88.1 32 29 A Y E -bc 14 53A 84 20,-2.2 22,-2.6 -2,-0.4 2,-0.4 -0.991 5.1-170.4-125.6 131.1 1.4 27.9 90.8 33 30 A V E -bc 15 54A 8 -19,-2.6 -17,-2.6 -2,-0.4 22,-0.2 -0.991 15.1-141.2-129.1 125.0 0.9 25.0 93.2 34 31 A G > - 0 0 12 20,-1.4 3,-1.5 21,-1.1 22,-0.1 -0.027 35.6 -56.0 -85.3-177.8 3.2 24.6 96.2 35 32 A E T 3 S- 0 0 96 1,-0.3 22,-2.8 21,-0.1 23,-0.2 -0.263 115.1 -1.9 -64.7 134.4 4.9 21.7 98.1 36 33 A E T 3 S+ 0 0 78 1,-0.2 -1,-0.3 20,-0.2 -17,-0.1 0.550 92.5 143.3 64.1 11.7 2.7 18.9 99.5 37 34 A S < - 0 0 0 -3,-1.5 -17,-2.4 20,-0.2 2,-0.4 -0.413 38.7-146.7 -77.2 158.3 -0.4 20.5 98.3 38 35 A S E -mn 20 59C 2 20,-3.0 22,-2.8 -19,-0.2 2,-0.5 -0.994 13.5-165.9-137.5 127.9 -3.2 18.3 97.0 39 36 A I E -mn 21 60C 0 -19,-2.7 -17,-2.9 -2,-0.4 22,-0.2 -0.969 28.2-143.0-116.4 112.7 -5.7 18.9 94.2 40 37 A W > - 0 0 10 20,-3.0 3,-1.7 -2,-0.5 23,-0.3 -0.191 33.2 -51.0 -90.9 170.8 -8.4 16.3 94.4 41 38 A F T 3 S- 0 0 54 1,-0.3 22,-2.3 21,-0.2 -17,-0.2 0.057 115.8 -1.9 -48.2 130.0 -10.5 14.4 91.8 42 39 A N T 3 S+ 0 0 78 -19,-1.4 -1,-0.3 1,-0.2 2,-0.2 0.550 86.4 149.7 69.3 13.6 -12.3 16.3 89.0 43 40 A T < - 0 0 0 -3,-1.7 -17,-2.0 -20,-0.2 2,-0.5 -0.503 33.5-151.0 -73.4 143.7 -11.2 19.8 90.2 44 41 A V E +cd 26 65A 51 20,-2.4 22,-2.8 -19,-0.2 2,-0.5 -0.984 17.5 177.1-120.6 124.7 -10.8 22.4 87.5 45 42 A I E -cd 27 66A 0 -19,-2.9 -17,-2.5 -2,-0.5 2,-0.8 -0.908 7.1-174.5-125.2 98.5 -8.3 25.3 87.8 46 43 A R E -c 28 0A 111 20,-1.5 2,-1.0 -2,-0.5 3,-0.3 -0.856 7.0-167.5 -98.9 112.2 -8.3 27.4 84.7 47 44 A G E +c 29 0A 3 -19,-1.9 -17,-2.5 -2,-0.8 -39,-0.1 -0.364 51.8 111.9 -95.8 57.8 -5.6 30.0 84.9 48 45 A D E S+ 0 0 36 -2,-1.0 -1,-0.2 -19,-0.2 -19,-0.1 0.246 75.3 35.9-123.3 13.3 -6.7 32.1 82.0 49 46 A V E S- 0 0 62 1,-0.6 -2,-0.1 -3,-0.3 20,-0.1 0.612 125.4 -8.9-124.1 -56.7 -8.0 35.4 83.5 50 47 A S E S- 0 0 12 -20,-0.0 -1,-0.6 22,-0.0 -20,-0.1 -0.907 87.5 -75.3-137.2 166.0 -5.8 36.2 86.5 51 48 A P E - 0 0 49 0, 0.0 23,-2.8 0, 0.0 2,-0.5 -0.275 33.6-152.6 -63.2 147.4 -3.0 34.3 88.4 52 49 A T E -ce 31 74A 0 -22,-2.3 -20,-2.2 21,-0.2 2,-0.5 -0.994 12.8-172.8-120.0 117.7 -3.9 31.5 90.8 53 50 A I E -ce 32 75A 67 21,-2.6 23,-2.9 -2,-0.5 2,-0.5 -0.973 3.3-176.9-116.6 118.4 -1.3 31.0 93.5 54 51 A I E -ce 33 76A 3 -22,-2.6 -20,-1.4 -2,-0.5 23,-0.2 -0.974 15.1-152.1-118.0 122.5 -1.7 28.0 95.8 55 52 A G > - 0 0 12 21,-2.5 -21,-1.1 -2,-0.5 3,-0.5 0.369 34.4 -49.5 -76.8-150.2 0.8 27.7 98.6 56 53 A D T 3 S+ 0 0 52 1,-0.2 23,-2.5 -22,-0.1 24,-0.2 -0.666 112.8 4.6 -98.7 142.3 2.2 24.8 100.5 57 54 A R T 3 S+ 0 0 82 -22,-2.8 2,-0.4 -2,-0.3 -1,-0.2 0.777 87.8 150.5 59.6 31.0 0.3 21.9 102.2 58 55 A V < - 0 0 0 -3,-0.5 -20,-3.0 -23,-0.2 2,-0.5 -0.757 34.2-152.2 -90.6 138.1 -3.0 23.2 100.8 59 56 A N E -no 38 81C 1 21,-2.3 23,-2.1 -2,-0.4 2,-0.6 -0.958 11.1-173.9-110.8 129.0 -5.8 20.8 100.0 60 57 A V E -no 39 82C 0 -22,-2.8 -20,-3.0 -2,-0.5 23,-0.2 -0.964 29.3-144.0-115.6 106.6 -8.4 21.7 97.3 61 58 A Q > - 0 0 11 21,-2.7 3,-0.9 -2,-0.6 -21,-0.1 0.161 33.0 -47.6 -77.4-173.7 -10.9 18.9 97.6 62 59 A D T 3 S+ 0 0 31 1,-0.2 23,-2.6 22,-0.1 24,-0.2 -0.224 113.5 2.0 -65.4 141.9 -12.9 17.0 95.0 63 60 A Q T 3 S+ 0 0 97 -22,-2.3 -1,-0.2 -23,-0.3 2,-0.2 0.777 84.4 154.4 61.5 35.4 -14.8 18.7 92.2 64 61 A C < - 0 0 1 -3,-0.9 -20,-2.4 -24,-0.2 2,-0.5 -0.546 35.6-142.0 -83.1 158.2 -13.9 22.3 93.0 65 62 A T E -df 44 87A 64 21,-2.5 23,-2.6 -22,-0.2 2,-0.5 -0.989 15.1-173.3-120.7 123.5 -13.8 25.1 90.5 66 63 A L E +df 45 88A 2 -22,-2.8 -20,-1.5 -2,-0.5 2,-0.3 -0.968 23.7 140.6-119.0 115.5 -11.1 27.8 90.8 67 64 A H E - f 0 89A 31 21,-2.4 23,-2.0 -2,-0.5 2,-0.3 -0.851 30.5-138.7-143.7-179.1 -11.3 30.8 88.4 68 65 A Q - 0 0 3 -2,-0.3 -20,-0.1 21,-0.3 6,-0.1 -0.956 9.2-137.0-142.3 157.9 -10.8 34.5 88.3 69 66 A S > - 0 0 24 3,-0.4 3,-0.7 -2,-0.3 -20,-0.1 -0.722 44.1-102.4-103.5 163.7 -12.1 37.9 87.2 70 67 A P T 3 S+ 0 0 112 0, 0.0 20,-0.0 0, 0.0 -1,-0.0 0.795 111.5 58.2 -59.4 -30.9 -9.7 40.4 85.7 71 68 A Q T 3 S+ 0 0 151 1,-0.1 19,-0.0 -21,-0.1 -3,-0.0 0.761 107.6 35.2 -80.2 -26.8 -9.3 42.7 88.7 72 69 A Y < - 0 0 94 -3,-0.7 -3,-0.4 -22,-0.0 -1,-0.1 -0.962 69.9-129.6-129.9 148.1 -8.0 40.2 91.4 73 70 A P - 0 0 55 0, 0.0 2,-0.6 0, 0.0 35,-0.2 -0.280 29.1-115.6 -77.7 173.0 -5.8 37.2 91.5 74 71 A L E -e 52 0A 0 -23,-2.8 -21,-2.6 16,-0.2 2,-0.5 -0.972 38.7-176.5-112.9 117.3 -6.9 33.9 93.2 75 72 A I E -eg 53 92A 29 16,-2.4 18,-3.1 -2,-0.6 2,-0.5 -0.973 19.2-179.5-124.7 123.8 -4.7 33.3 96.2 76 73 A L E -eg 54 93A 1 -23,-2.9 -21,-2.5 -2,-0.5 18,-0.2 -0.969 24.3-151.3-118.2 109.9 -4.8 30.3 98.6 77 74 A E > - 0 0 60 16,-2.8 3,-1.2 -2,-0.5 19,-0.2 -0.152 37.3 -58.1 -75.7 173.4 -2.1 30.8 101.2 78 75 A D T 3 S+ 0 0 61 1,-0.2 18,-1.8 17,-0.1 19,-0.2 -0.118 117.0 13.7 -51.8 145.0 -0.3 27.9 103.0 79 76 A D T 3 S+ 0 0 30 -23,-2.5 -1,-0.2 1,-0.2 2,-0.2 0.609 85.6 153.2 68.7 17.1 -2.2 25.3 105.0 80 77 A V < - 0 0 0 -3,-1.2 -21,-2.3 -24,-0.2 2,-0.5 -0.510 32.5-151.6 -75.8 142.6 -5.6 26.2 103.6 81 78 A T E -op 59 98C 3 16,-2.1 18,-2.7 -23,-0.2 2,-0.5 -0.981 9.3-171.3-114.2 128.3 -8.4 23.6 103.4 82 79 A V E -op 60 99C 0 -23,-2.1 -21,-2.7 -2,-0.5 18,-0.2 -0.981 19.7-135.4-122.9 118.9 -11.0 23.9 100.6 83 80 A G > - 0 0 4 16,-2.9 3,-0.9 -2,-0.5 19,-0.1 0.001 36.6 -66.6 -70.4 171.3 -14.0 21.5 100.9 84 81 A H T 3 S+ 0 0 61 1,-0.2 18,-2.7 17,-0.1 19,-0.2 -0.243 113.7 7.8 -59.2 143.5 -15.6 19.5 98.2 85 82 A Q T 3 S+ 0 0 127 -23,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.842 86.6 156.5 56.6 37.2 -17.5 21.3 95.4 86 83 A V < - 0 0 0 -3,-0.9 -21,-2.5 -24,-0.2 2,-0.5 -0.745 34.3-146.2 -89.5 142.2 -16.4 24.8 96.4 87 84 A I E -fh 65 104A 67 16,-2.3 18,-2.6 -2,-0.3 2,-0.4 -0.968 15.1-172.2-105.3 123.1 -16.3 27.6 93.8 88 85 A L E -fh 66 105A 0 -23,-2.6 -21,-2.4 -2,-0.5 2,-0.4 -0.967 3.6-178.9-114.2 130.5 -13.5 30.1 94.4 89 86 A H E -f 67 0A 48 16,-2.4 20,-0.3 -2,-0.4 -21,-0.3 -0.863 66.4 -42.4-137.1 97.1 -13.5 33.2 92.2 90 87 A S S S+ 0 0 1 -23,-2.0 18,-2.8 -2,-0.4 2,-0.2 0.845 95.0 140.7 53.1 41.9 -10.7 35.8 92.6 91 88 A C - 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