==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-08 2ZW4 . COMPND 2 MOLECULE: BLEOMYCIN ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VERTICILLUS; . AUTHOR K.ODA,Y.MATOBA,M.SUGIYAMA . 1174 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 811 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 286 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 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 . 108 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.4 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 8 3 5 4 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 7 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 PARALLEL BRIDGES PER LADDER . 1 7 4 8 13 5 9 1 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 4 0 4 0 0 0 4 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 8 A H 0 0 161 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -61.0 -40.3 80.0 -53.7 2 9 A T + 0 0 106 12,-0.1 0, 0.0 11,-0.0 0, 0.0 0.710 360.0 130.9 -14.6-111.7 -42.6 80.5 -56.7 3 10 A A - 0 0 34 1,-0.1 2,-0.5 10,-0.1 0, 0.0 0.886 40.3-151.5 43.7 117.1 -46.2 80.6 -55.6 4 11 A H - 0 0 46 9,-0.1 2,-0.5 60,-0.1 9,-0.2 -0.941 12.0-148.5-111.4 131.2 -48.6 83.3 -56.8 5 12 A L E -A 12 0A 21 7,-2.5 7,-3.6 -2,-0.5 2,-0.4 -0.892 10.0-167.0-109.0 131.7 -51.5 84.1 -54.4 6 13 A R E +A 11 0A 36 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.953 11.3 171.6-116.0 131.1 -54.9 85.4 -55.7 7 14 A T - 0 0 9 3,-2.4 98,-0.0 -2,-0.4 97,-0.0 -0.441 51.6 -79.2-119.9-164.9 -57.6 86.8 -53.4 8 15 A A S S- 0 0 59 -2,-0.2 1010,-0.1 1,-0.1 -1,-0.0 0.978 123.4 -0.4 -64.0 -54.5 -60.9 88.6 -54.0 9 16 A R S S+ 0 0 92 92,-0.0 2,-0.2 -3,-0.0 -1,-0.1 0.631 122.0 71.5-111.0 -19.5 -59.4 92.0 -54.8 10 17 A L - 0 0 0 58,-0.1 -3,-2.4 59,-0.1 2,-0.4 -0.582 55.3-150.8-106.8 165.4 -55.6 91.5 -54.5 11 18 A E E -AB 6 67A 4 56,-1.7 56,-2.6 -5,-0.2 2,-0.7 -0.997 12.2-156.4-130.7 122.2 -52.7 89.8 -56.3 12 19 A L E -AB 5 66A 0 -7,-3.6 -7,-2.5 -2,-0.4 54,-0.2 -0.901 14.4-170.8-105.0 109.1 -49.8 88.6 -54.2 13 20 A T E - B 0 65A 13 52,-2.3 52,-3.3 -2,-0.7 3,-0.1 -0.852 36.6 -94.3-104.3 131.8 -46.7 88.3 -56.4 14 21 A P E - B 0 64A 41 0, 0.0 50,-0.3 0, 0.0 -1,-0.1 -0.122 56.1-100.5 -41.9 123.5 -43.4 86.7 -55.2 15 22 A L - 0 0 23 48,-1.8 48,-0.1 1,-0.1 61,-0.0 -0.251 37.5-171.7 -55.4 129.4 -41.3 89.6 -53.8 16 23 A D > - 0 0 79 1,-0.2 4,-3.0 -3,-0.1 5,-0.5 -0.906 9.4-159.2-123.7 95.8 -38.6 90.8 -56.3 17 24 A P H > S+ 0 0 20 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.890 88.2 51.9 -39.8 -58.2 -36.5 93.3 -54.3 18 25 A A H 4 S+ 0 0 66 1,-0.2 4,-0.3 2,-0.2 31,-0.1 0.886 119.8 32.5 -48.4 -51.8 -35.1 94.9 -57.5 19 26 A A H 4 S+ 0 0 63 -3,-0.4 4,-0.3 1,-0.1 3,-0.3 0.875 126.7 37.6 -77.6 -41.3 -38.5 95.6 -59.1 20 27 A D H >X S+ 0 0 5 -4,-3.0 4,-2.3 1,-0.2 3,-1.2 0.815 90.1 87.1 -84.1 -31.9 -40.6 96.2 -56.0 21 28 A A H 3X S+ 0 0 3 -4,-2.8 4,-0.9 -5,-0.5 -1,-0.2 0.736 85.8 57.8 -38.7 -37.3 -38.3 98.1 -53.8 22 29 A R H 34 S+ 0 0 171 -3,-0.3 -1,-0.3 -4,-0.3 3,-0.3 0.956 114.7 36.0 -62.1 -49.9 -39.3 101.4 -55.4 23 30 A H H X4 S+ 0 0 80 -3,-1.2 3,-2.4 -4,-0.3 -2,-0.2 0.946 114.0 54.9 -67.9 -53.1 -43.0 100.9 -54.5 24 31 A L H >X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.3 3,-1.8 0.682 91.1 77.9 -57.2 -16.4 -42.4 99.2 -51.1 25 32 A H H 3X S+ 0 0 37 -4,-0.9 4,-1.4 -5,-0.4 -1,-0.3 0.662 76.9 72.0 -70.1 -12.5 -40.3 102.2 -50.1 26 33 A H H <4 S+ 0 0 95 -3,-2.4 68,-0.6 2,-0.1 -1,-0.3 0.594 112.1 30.5 -75.5 -8.2 -43.5 104.1 -49.5 27 34 A A H X4 S+ 0 0 2 -3,-1.8 3,-1.6 66,-0.2 7,-0.3 0.766 122.7 43.4-108.9 -63.0 -43.8 101.8 -46.5 28 35 A Y H 3< S+ 0 0 3 -4,-2.1 14,-2.9 1,-0.3 -3,-0.2 0.698 116.8 49.0 -59.9 -23.6 -40.3 101.1 -45.4 29 36 A G T 3< S+ 0 0 28 -4,-1.4 2,-0.6 -5,-0.3 -1,-0.3 0.514 91.6 92.8 -96.2 -5.8 -39.2 104.7 -45.9 30 37 A D X> - 0 0 48 -3,-1.6 4,-2.6 1,-0.1 3,-0.6 -0.818 63.4-154.1 -94.2 119.4 -42.1 106.1 -43.9 31 38 A E T 34 S+ 0 0 160 -2,-0.6 -1,-0.1 1,-0.2 4,-0.1 0.793 93.9 54.3 -59.1 -35.4 -41.4 106.7 -40.2 32 39 A E T 34 S+ 0 0 91 2,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.798 113.5 41.1 -72.0 -30.3 -45.0 106.4 -39.2 33 40 A V T <4 S+ 0 0 14 -3,-0.6 3,-0.5 -6,-0.3 -2,-0.2 0.841 114.0 53.9 -82.2 -36.9 -45.4 103.0 -40.9 34 41 A X S >< S+ 0 0 7 -4,-2.6 3,-1.2 -7,-0.3 -2,-0.2 0.328 78.2 108.6 -80.2 8.0 -42.0 101.9 -39.6 35 42 A R T 3 S+ 0 0 165 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.920 84.7 32.9 -49.0 -59.3 -43.0 102.8 -36.0 36 43 A W T 3 S+ 0 0 60 -3,-0.5 -1,-0.3 -4,-0.2 91,-0.1 0.324 96.5 125.8 -85.7 8.8 -43.3 99.2 -34.7 37 44 A W S < S- 0 0 38 -3,-1.2 4,-0.1 2,-0.1 115,-0.0 -0.224 71.6-119.0 -74.5 159.6 -40.5 97.8 -36.9 38 45 A T S S+ 0 0 69 2,-0.1 116,-0.3 116,-0.0 -1,-0.1 0.507 99.8 19.8 -69.9 -10.0 -37.4 95.9 -35.9 39 46 A R S S- 0 0 60 -5,-0.2 -2,-0.1 114,-0.1 3,-0.1 -0.971 97.7 -80.0-153.7 162.7 -35.2 98.6 -37.4 40 47 A P - 0 0 63 0, 0.0 3,-0.1 0, 0.0 -5,-0.1 -0.118 62.4 -77.0 -62.9 164.5 -35.6 102.3 -38.4 41 48 A A - 0 0 25 1,-0.1 -12,-0.3 -12,-0.1 2,-0.1 -0.325 58.3-100.6 -59.9 143.1 -37.3 103.4 -41.6 42 49 A C - 0 0 4 -14,-2.9 -1,-0.1 1,-0.1 -8,-0.0 -0.429 21.5-138.2 -69.4 141.3 -35.1 103.0 -44.7 43 50 A A S S- 0 0 82 1,-0.1 -1,-0.1 -2,-0.1 -14,-0.1 0.789 77.2 -2.5 -71.3 -29.2 -33.3 106.2 -45.9 44 51 A D S > S- 0 0 68 1,-0.1 4,-2.6 -16,-0.1 3,-0.2 -0.981 76.8 -94.6-158.1 164.4 -33.9 105.5 -49.5 45 52 A P H > S+ 0 0 26 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.808 122.6 57.2 -53.5 -31.0 -35.3 103.0 -52.1 46 53 A A H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.956 107.4 46.3 -65.7 -48.6 -31.8 101.6 -52.4 47 54 A E H > S+ 0 0 42 1,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.936 112.3 51.5 -57.7 -46.9 -31.6 100.8 -48.7 48 55 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.892 108.5 52.0 -57.4 -40.3 -35.1 99.3 -48.9 49 56 A E H X S+ 0 0 75 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.944 110.0 48.0 -61.7 -48.3 -33.9 97.2 -51.8 50 57 A R H X S+ 0 0 146 -4,-2.6 4,-2.0 2,-0.2 3,-0.4 0.954 112.9 48.0 -55.4 -55.0 -30.9 95.9 -49.8 51 58 A Y H X S+ 0 0 45 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.929 109.8 52.7 -52.3 -49.5 -33.1 95.1 -46.8 52 59 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.842 107.4 53.3 -57.9 -34.1 -35.6 93.3 -48.9 53 60 A T H X S+ 0 0 66 -4,-1.8 4,-2.3 -3,-0.4 -1,-0.2 0.900 109.5 45.6 -69.3 -42.5 -32.9 91.2 -50.4 54 61 A S H X S+ 0 0 71 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.948 113.5 50.6 -65.4 -47.0 -31.6 90.0 -47.0 55 62 A C H < S+ 0 0 38 -4,-2.7 26,-0.3 1,-0.2 -2,-0.2 0.913 112.5 47.0 -54.1 -46.0 -35.1 89.3 -45.9 56 63 A A H < S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.849 108.5 56.4 -63.9 -37.9 -35.7 87.4 -49.1 57 64 A A H < S+ 0 0 80 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.903 80.5 113.5 -61.5 -45.0 -32.4 85.5 -48.6 58 65 A A S >< S- 0 0 30 -4,-2.2 3,-2.1 1,-0.2 2,-0.2 0.136 83.6 -91.2 -32.0 135.4 -33.4 84.2 -45.1 59 66 A P T 3 S+ 0 0 100 0, 0.0 23,-2.6 0, 0.0 24,-0.2 -0.338 108.9 3.3 -59.8 119.0 -33.9 80.4 -44.9 60 67 A G T 3 S+ 0 0 52 1,-0.3 2,-0.3 21,-0.3 -2,-0.1 0.453 91.8 151.5 85.3 1.1 -37.5 79.4 -45.6 61 68 A A < + 0 0 14 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.3 -0.492 18.5 175.3 -70.0 128.4 -38.5 83.0 -46.4 62 69 A R E + C 0 79A 107 17,-1.7 17,-2.0 -2,-0.3 2,-0.2 -0.808 10.6 176.8-136.3 92.5 -41.4 83.3 -48.8 63 70 A L E - C 0 78A 20 -2,-0.3 -48,-1.8 15,-0.2 2,-0.3 -0.638 11.8-157.9 -99.4 156.3 -42.5 86.9 -49.2 64 71 A W E -BC 14 77A 3 13,-2.1 13,-2.2 -50,-0.3 2,-0.4 -0.975 12.9-134.8-133.2 146.3 -45.2 88.4 -51.5 65 72 A T E -BC 13 76A 0 -52,-3.3 -52,-2.3 -2,-0.3 2,-0.6 -0.816 25.4-129.6 -99.5 139.6 -45.8 91.8 -52.9 66 73 A I E -BC 12 75A 1 9,-3.3 9,-0.7 -2,-0.4 2,-0.5 -0.802 22.6-172.3 -96.0 121.4 -49.4 93.1 -52.7 67 74 A R E -B 11 0A 23 -56,-2.6 -56,-1.7 -2,-0.6 6,-0.2 -0.949 10.3-149.7-115.7 125.8 -50.9 94.6 -55.8 68 75 A A > - 0 0 0 4,-3.4 3,-1.8 -2,-0.5 4,-0.3 -0.514 28.2-110.2 -88.4 158.1 -54.3 96.3 -55.7 69 76 A P T 3 S+ 0 0 32 0, 0.0 917,-0.1 0, 0.0 -1,-0.1 0.887 117.5 62.7 -53.8 -42.1 -56.9 96.4 -58.6 70 77 A D T 3 S- 0 0 103 1,-0.1 912,-0.1 2,-0.0 -2,-0.0 0.280 124.5-105.1 -69.4 15.2 -56.2 100.1 -59.2 71 78 A G S < S+ 0 0 25 -3,-1.8 2,-0.3 1,-0.2 -1,-0.1 0.799 78.8 128.7 67.9 30.0 -52.7 99.0 -60.0 72 79 A T - 0 0 46 -4,-0.3 -4,-3.4 -49,-0.0 -1,-0.2 -0.761 59.1-129.2-113.0 163.5 -51.0 100.2 -56.8 73 80 A V - 0 0 14 -2,-0.3 -6,-0.2 -6,-0.2 20,-0.1 -0.811 23.6-180.0-112.3 85.8 -48.7 98.3 -54.4 74 81 A P - 0 0 1 0, 0.0 19,-3.4 0, 0.0 2,-0.3 0.853 57.0 -76.6 -53.8 -37.7 -50.3 98.8 -50.9 75 82 A G E -CD 66 92A 1 -9,-0.7 -9,-3.3 17,-0.3 2,-0.3 -0.966 50.6 -70.0 171.3-153.5 -47.5 96.8 -49.3 76 83 A X E +CD 65 91A 4 15,-2.3 15,-2.1 -2,-0.3 2,-0.3 -0.919 29.5 173.8-137.8 160.1 -46.1 93.3 -48.6 77 84 A A E +CD 64 90A 0 -13,-2.2 -13,-2.1 -2,-0.3 2,-0.3 -0.979 20.3 109.8-161.2 153.1 -46.8 90.2 -46.6 78 85 A G E -CD 63 89A 1 11,-1.4 11,-2.1 -2,-0.3 2,-0.4 -0.989 59.0 -45.8 168.8-165.3 -45.4 86.7 -46.2 79 86 A L E -C 62 0A 15 -17,-2.0 -17,-1.7 -2,-0.3 9,-0.3 -0.851 49.3-127.0-102.1 129.5 -43.6 84.1 -44.0 80 87 A L - 0 0 71 -2,-0.4 7,-0.8 -19,-0.2 3,-0.3 -0.417 24.3-122.6 -75.4 147.7 -40.3 85.0 -42.2 81 88 A G S S+ 0 0 17 -26,-0.3 -21,-0.3 1,-0.2 -23,-0.1 -0.627 77.6 11.7 -96.1 149.3 -37.2 82.9 -42.6 82 89 A G S S+ 0 0 57 -23,-2.6 -1,-0.2 -2,-0.3 -22,-0.1 0.971 81.0 122.0 55.8 63.5 -35.1 81.0 -40.1 83 90 A T - 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