==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-AUG-13 4M9C . COMPND 2 MOLECULE: BACTERIAL TRANSFERASE HEXAPEPTIDE (THREE REPEATS) . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR M.J.MORRISON,B.IMPERIALI . 1287 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 976 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 396 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 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 . 12 0.9 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 . 135 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.0 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 4 0 0 0 0 5 1 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 84 12 6 0 6 0 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 . 0 10 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 6 12 0 6 0 0 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 0 101 0, 0.0 2,-1.8 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 153.3 -106.3 5.7 -1.4 2 2 A T + 0 0 58 2,-0.0 61,-1.7 968,-0.0 2,-0.3 -0.407 360.0 14.3 76.5 -60.3 -103.7 7.0 -4.0 3 3 A M E -a 63 0A 28 -2,-1.8 2,-0.4 59,-0.2 61,-0.2 -0.979 58.0-178.4-148.3 132.2 -100.9 4.6 -3.0 4 4 A I E -a 64 0A 21 59,-1.8 61,-2.2 -2,-0.3 2,-0.5 -0.990 14.7-150.6-125.4 144.6 -100.6 1.4 -0.9 5 5 A I E -ab 65 33A 2 27,-3.2 29,-2.2 -2,-0.4 2,-0.4 -0.938 7.9-162.3-115.0 128.5 -97.4 -0.5 -0.2 6 6 A G E -ab 66 34A 0 59,-2.8 61,-2.3 -2,-0.5 2,-0.6 -0.901 11.0-152.4-107.5 141.3 -97.2 -4.2 0.3 7 7 A V E -ab 67 35A 0 27,-2.7 29,-3.0 -2,-0.4 2,-0.8 -0.956 21.4-142.9-105.0 113.0 -94.4 -6.2 1.9 8 8 A Y E S+ab 68 36A 17 59,-2.5 61,-1.6 -2,-0.6 62,-1.1 -0.676 73.5 41.5 -85.8 109.9 -94.5 -9.6 0.4 9 9 A G - 0 0 3 27,-2.2 28,-0.2 -2,-0.8 60,-0.1 0.354 51.7-168.4 116.9 104.3 -93.6 -12.1 3.1 10 10 A A S S+ 0 0 1 26,-0.1 5,-0.5 4,-0.1 27,-0.1 0.853 78.0 54.0 -84.4 -40.1 -94.8 -11.9 6.7 11 11 A S S > S+ 0 0 67 3,-0.2 3,-2.0 2,-0.1 2,-0.0 -0.129 103.4 19.3 -82.7-175.1 -92.4 -14.5 7.9 12 12 A G T > S- 0 0 31 1,-0.3 3,-0.6 2,-0.1 4,-0.2 -0.306 136.6 -4.6 54.3-124.9 -88.6 -14.6 7.5 13 13 A F T >> S+ 0 0 33 56,-0.3 4,-2.4 1,-0.2 3,-0.7 0.435 106.8 100.5 -83.2 3.4 -87.3 -11.1 6.7 14 14 A G H <> S+ 0 0 0 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.892 81.1 48.7 -54.8 -46.0 -90.7 -9.5 6.4 15 15 A K H <4 S+ 0 0 14 -3,-0.6 518,-0.3 -5,-0.5 -1,-0.2 0.736 113.3 49.4 -72.6 -20.3 -90.7 -7.9 9.9 16 16 A E H <> S+ 0 0 2 -3,-0.7 4,-0.9 -4,-0.2 -1,-0.2 0.863 112.2 47.3 -76.6 -41.7 -87.2 -6.5 9.2 17 17 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.862 98.0 69.2 -74.7 -33.9 -88.2 -5.1 5.8 18 18 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.923 102.0 43.2 -53.3 -52.1 -91.4 -3.3 6.9 19 19 A P H > S+ 0 0 8 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.853 112.3 55.6 -67.2 -28.0 -89.7 -0.6 9.0 20 20 A L H X S+ 0 0 3 -4,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.937 110.2 44.2 -63.6 -46.6 -87.1 -0.1 6.2 21 21 A V H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.839 109.2 57.4 -70.2 -30.6 -89.8 0.5 3.7 22 22 A R H < S+ 0 0 68 -4,-2.2 6,-0.2 -5,-0.3 -1,-0.2 0.935 111.0 43.4 -57.9 -47.2 -91.6 2.8 6.2 23 23 A Q H < S+ 0 0 104 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.775 107.3 59.9 -70.1 -30.6 -88.4 4.9 6.4 24 24 A Q H < S+ 0 0 28 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.862 120.9 26.5 -63.2 -35.4 -87.9 4.7 2.6 25 25 A F S >< S+ 0 0 43 -4,-1.6 3,-1.5 -3,-0.2 -1,-0.3 -0.598 75.4 166.2-129.2 68.7 -91.3 6.5 2.2 26 26 A P T 3 + 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.658 68.5 62.2 -67.3 -19.9 -91.7 8.5 5.4 27 27 A T T 3 S+ 0 0 18 940,-0.1 941,-0.5 -4,-0.1 2,-0.3 0.693 82.6 94.3 -82.6 -13.7 -94.6 10.6 4.3 28 28 A L S < S- 0 0 29 -3,-1.5 2,-0.1 -6,-0.2 -3,-0.1 -0.580 80.1-122.3 -76.5 135.0 -97.0 7.6 3.8 29 29 A S > - 0 0 59 -2,-0.3 3,-2.4 939,-0.1 4,-0.2 -0.398 23.0-108.7 -76.1 156.4 -99.1 6.9 6.8 30 30 A K G > S+ 0 0 85 1,-0.3 3,-2.4 2,-0.2 -1,-0.1 0.850 116.3 66.8 -50.8 -38.1 -99.0 3.5 8.5 31 31 A E G 3 S+ 0 0 117 1,-0.3 -1,-0.3 17,-0.1 -3,-0.0 0.720 90.1 64.8 -61.1 -20.1 -102.5 2.7 7.1 32 32 A Q G < S+ 0 0 36 -3,-2.4 -27,-3.2 -28,-0.1 2,-0.4 0.478 94.0 78.2 -82.7 2.0 -101.0 2.7 3.6 33 33 A F E < +b 5 0A 2 -3,-2.4 2,-0.3 -29,-0.2 -27,-0.2 -0.867 52.1 166.6-115.1 145.7 -98.8 -0.4 4.4 34 34 A A E -b 6 0A 8 -29,-2.2 -27,-2.7 -2,-0.4 2,-0.4 -0.998 34.5-120.4-149.2 150.3 -99.6 -4.1 4.6 35 35 A F E -bc 7 50A 0 14,-2.2 16,-3.4 -2,-0.3 2,-0.6 -0.719 28.2-144.2 -77.0 138.3 -97.9 -7.4 4.8 36 36 A I E +bc 8 51A 0 -29,-3.0 -27,-2.2 -2,-0.4 2,-0.2 -0.947 40.1 139.5-107.0 117.5 -98.9 -9.7 1.9 37 37 A D - 0 0 32 14,-3.2 4,-0.4 -2,-0.6 3,-0.2 -0.757 37.3-161.0-162.4 108.0 -99.2 -13.4 3.0 38 38 A D S > S+ 0 0 101 1,-0.2 3,-1.5 -2,-0.2 -1,-0.1 0.935 95.6 53.4 -56.2 -49.9 -101.9 -15.9 1.9 39 39 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.2 13,-0.0 13,-0.1 0.860 117.8 35.4 -51.8 -42.6 -101.2 -18.2 4.8 40 40 A L T > S+ 0 0 68 -3,-0.2 3,-2.1 11,-0.1 -1,-0.3 0.245 85.5 148.8-102.1 12.8 -101.6 -15.5 7.3 41 41 A S T < + 0 0 54 -3,-1.5 10,-0.2 -4,-0.4 3,-0.1 -0.115 65.5 23.2 -44.8 137.0 -104.3 -13.6 5.5 42 42 A G T 3 S+ 0 0 72 8,-2.0 -1,-0.2 1,-0.3 9,-0.1 0.196 101.9 102.0 90.3 -16.8 -106.8 -11.9 7.9 43 43 A T < - 0 0 69 -3,-2.1 7,-2.3 7,-0.2 2,-0.3 -0.239 66.5-124.6 -85.5 178.4 -104.3 -11.6 10.8 44 44 A T E -E 49 0B 102 5,-0.2 2,-0.4 -3,-0.1 -1,-0.0 -0.966 17.8-164.8-125.7 152.2 -102.3 -8.6 12.0 45 45 A L E > S-E 48 0B 36 3,-3.1 3,-2.1 -2,-0.3 -10,-0.1 -0.981 72.0 -17.4-142.0 120.7 -98.6 -8.3 12.5 46 46 A N T 3 S- 0 0 28 -2,-0.4 -1,-0.1 1,-0.3 488,-0.1 0.835 130.0 -51.6 49.1 35.5 -96.7 -5.6 14.4 47 47 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.507 117.9 113.2 85.7 5.2 -99.9 -3.5 14.1 48 48 A Y E < S-E 45 0B 6 -3,-2.1 -3,-3.1 -14,-0.0 -1,-0.3 -0.845 71.3-108.9-110.1 148.7 -100.2 -4.0 10.3 49 49 A P E -E 44 0B 59 0, 0.0 -14,-2.2 0, 0.0 2,-0.6 -0.476 23.5-145.4 -67.9 140.5 -102.8 -5.8 8.3 50 50 A V E -c 35 0A 0 -7,-2.3 -8,-2.0 -16,-0.2 2,-0.3 -0.966 25.5-169.6-108.6 116.1 -101.7 -9.1 6.8 51 51 A L E -c 36 0A 25 -16,-3.4 -14,-3.2 -2,-0.6 -11,-0.1 -0.760 24.4-119.1-109.5 150.3 -103.5 -9.5 3.4 52 52 A S > - 0 0 16 -2,-0.3 4,-2.4 -16,-0.2 5,-0.2 -0.454 38.9-109.3 -71.4 160.2 -103.9 -12.3 0.9 53 53 A Y H > S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.938 119.2 52.3 -59.2 -46.0 -102.5 -11.4 -2.5 54 54 A L H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 110.4 47.3 -57.5 -44.7 -106.0 -11.2 -3.9 55 55 A D H > S+ 0 0 77 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.901 111.5 51.1 -65.9 -39.8 -107.2 -8.9 -1.2 56 56 A F H >< S+ 0 0 1 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.963 112.9 45.4 -58.5 -51.6 -104.2 -6.6 -1.6 57 57 A I H 3< S+ 0 0 34 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.829 109.4 57.1 -60.8 -32.4 -104.8 -6.4 -5.4 58 58 A S H 3< S+ 0 0 83 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.654 80.4 116.8 -77.8 -13.9 -108.5 -5.8 -4.8 59 59 A K S << S- 0 0 89 -3,-1.1 2,-0.7 -4,-0.9 -55,-0.1 -0.146 76.1-112.5 -53.4 145.8 -107.9 -2.7 -2.6 60 60 A P + 0 0 110 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.761 67.6 127.6 -78.7 116.0 -109.2 0.6 -4.0 61 61 A A - 0 0 16 -2,-0.7 -57,-0.1 -60,-0.1 -58,-0.0 -0.725 59.0-139.1-174.7 119.7 -106.0 2.5 -4.7 62 62 A D S S+ 0 0 81 -2,-0.2 2,-0.4 1,-0.1 -59,-0.2 0.915 94.0 30.0 -47.0 -49.5 -104.8 4.2 -7.8 63 63 A H E -a 3 0A 48 -61,-1.7 -59,-1.8 -3,-0.1 2,-0.4 -0.933 64.1-171.8-124.4 135.6 -101.3 2.9 -7.3 64 64 A K E +a 4 0A 43 -2,-0.4 25,-2.2 23,-0.2 2,-0.3 -0.983 8.5 178.3-123.7 136.8 -100.0 -0.3 -5.7 65 65 A A E -ad 5 89A 0 -61,-2.2 -59,-2.8 -2,-0.4 2,-0.4 -0.984 6.2-164.4-137.6 148.2 -96.3 -1.0 -5.0 66 66 A V E -ad 6 90A 2 23,-2.7 25,-2.2 -2,-0.3 2,-0.5 -0.986 16.4-160.0-137.4 140.6 -94.5 -3.9 -3.4 67 67 A T E -a 7 0A 5 -61,-2.3 -59,-2.5 -2,-0.4 2,-0.8 -0.989 25.4-138.6-110.8 130.3 -91.2 -4.9 -1.9 68 68 A I E -a 8 0A 8 -2,-0.5 -59,-0.1 23,-0.2 -61,-0.1 -0.798 18.5-175.6 -91.8 110.3 -90.7 -8.6 -1.7 69 69 A A + 0 0 1 -61,-1.6 -56,-0.3 -2,-0.8 2,-0.2 0.685 46.8 116.2 -75.8 -18.8 -89.1 -9.5 1.6 70 70 A I - 0 0 43 -62,-1.1 -2,-0.1 1,-0.2 -58,-0.1 -0.324 47.8-166.1 -65.2 121.2 -88.7 -13.2 0.7 71 71 A A + 0 0 20 -2,-0.2 2,-0.4 4,-0.0 -1,-0.2 0.826 62.6 100.4 -75.6 -34.4 -85.1 -14.3 0.5 72 72 A N > - 0 0 92 1,-0.2 4,-2.3 2,-0.1 5,-0.1 -0.385 62.6-159.7 -53.5 109.3 -85.9 -17.6 -1.3 73 73 A S H > S+ 0 0 14 -2,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.774 84.4 56.1 -75.0 -27.1 -85.0 -16.6 -4.9 74 74 A V H > S+ 0 0 83 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.929 113.4 42.2 -66.9 -45.0 -87.1 -19.2 -6.7 75 75 A V H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.910 111.2 57.3 -64.5 -41.7 -90.2 -18.0 -4.8 76 76 A R H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.896 106.1 49.1 -59.0 -43.2 -89.1 -14.4 -5.4 77 77 A E H X S+ 0 0 65 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.890 110.9 48.7 -64.5 -42.0 -89.0 -14.9 -9.2 78 78 A K H X S+ 0 0 127 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.907 110.7 52.4 -64.2 -39.5 -92.5 -16.5 -9.3 79 79 A L H X S+ 0 0 20 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.900 106.9 51.8 -63.3 -41.4 -93.9 -13.7 -7.2 80 80 A V H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.933 108.9 50.6 -59.0 -46.1 -92.5 -11.1 -9.6 81 81 A S H X S+ 0 0 70 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.906 111.5 49.3 -59.4 -41.6 -94.1 -12.9 -12.5 82 82 A L H X S+ 0 0 70 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.917 111.6 48.5 -58.7 -46.7 -97.4 -12.8 -10.5 83 83 A L H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 3,-0.3 0.831 105.6 57.4 -67.7 -34.0 -96.9 -9.1 -9.7 84 84 A E H ><5S+ 0 0 88 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.904 98.7 60.7 -64.2 -39.8 -96.2 -8.2 -13.3 85 85 A K H 3<5S+ 0 0 110 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.858 111.1 39.7 -52.7 -39.5 -99.6 -9.7 -14.4 86 86 A D T 3<5S- 0 0 80 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.333 113.9-118.7 -95.5 6.3 -101.4 -7.2 -12.2 87 87 A G T < 5 + 0 0 48 -3,-1.7 2,-0.2 1,-0.2 -23,-0.2 0.809 51.0 169.1 61.5 33.0 -99.1 -4.3 -13.1 88 88 A V < - 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