==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAY-12 4F6A . COMPND 2 MOLECULE: BH1408 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR A.KUZIN,H.NEELY,N.ODUKWE,J.SEETHARAMAN,P.PATEL,R.XIAO,E.KOHA . 312 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16571.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 26.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 18 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 4 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 0 2 0 0 4 1 0 2 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 0 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 1 A X 0 0 101 0, 0.0 2,-0.3 0, 0.0 60,-0.2 0.000 360.0 360.0 360.0 -57.0 -63.2 -26.4 8.9 2 2 A I E -A 60 0A 73 58,-2.4 58,-3.2 2,-0.0 2,-0.5 -0.983 360.0-140.2-142.5 157.9 -63.4 -23.9 11.8 3 3 A I E +A 59 0A 55 -2,-0.3 2,-0.3 56,-0.2 56,-0.2 -0.990 38.1 162.7-111.2 125.7 -61.7 -20.9 13.4 4 4 A R E -A 58 0A 69 54,-2.3 54,-3.2 -2,-0.5 2,-0.2 -0.866 44.9 -86.6-132.5 168.5 -61.8 -21.0 17.2 5 5 A E E -A 57 0A 120 -2,-0.3 52,-0.3 52,-0.2 2,-0.1 -0.564 49.7-121.0 -69.1 140.8 -60.1 -19.5 20.1 6 6 A A - 0 0 6 50,-2.9 2,-0.3 -2,-0.2 50,-0.2 -0.418 22.1-151.5 -75.9 157.7 -57.0 -21.4 21.1 7 7 A T > - 0 0 67 -2,-0.1 3,-2.2 1,-0.0 4,-0.1 -0.803 35.7 -98.9-116.6 172.7 -56.5 -22.9 24.5 8 8 A V G > S+ 0 0 46 -2,-0.3 3,-1.6 1,-0.3 38,-0.1 0.794 120.6 69.3 -57.4 -28.6 -53.3 -23.6 26.4 9 9 A Q G 3 S+ 0 0 167 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.532 87.5 66.8 -69.5 -4.0 -53.6 -27.2 25.1 10 10 A D G <> + 0 0 12 -3,-2.2 4,-2.2 1,-0.1 5,-0.3 0.375 69.4 108.8 -93.5 6.0 -52.8 -25.9 21.6 11 11 A Y H <> S+ 0 0 30 -3,-1.6 4,-3.3 1,-0.2 5,-0.3 0.908 73.7 47.4 -51.1 -57.3 -49.2 -24.9 22.5 12 12 A Y H > S+ 0 0 200 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.889 114.7 44.8 -58.4 -44.2 -47.3 -27.6 20.6 13 13 A E H > S+ 0 0 68 -4,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.906 117.5 45.3 -65.2 -40.9 -49.1 -27.2 17.3 14 14 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.911 109.5 55.3 -67.7 -40.8 -49.0 -23.4 17.5 15 15 A A H X S+ 0 0 8 -4,-3.3 4,-2.1 -5,-0.3 24,-0.2 0.864 103.8 55.3 -62.9 -37.0 -45.3 -23.4 18.5 16 16 A R H X S+ 0 0 105 -4,-1.7 4,-1.2 -5,-0.3 -1,-0.2 0.884 108.9 46.8 -61.4 -41.1 -44.4 -25.5 15.4 17 17 A L H X S+ 0 0 0 -4,-1.2 4,-1.4 -3,-0.2 -2,-0.2 0.891 109.3 55.5 -67.9 -38.2 -46.0 -22.9 13.2 18 18 A H H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.907 103.6 54.7 -60.2 -43.4 -44.2 -20.2 15.1 19 19 A T H X S+ 0 0 48 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.834 100.8 59.1 -61.1 -36.2 -40.8 -21.8 14.4 20 20 A Q H X S+ 0 0 25 -4,-1.2 4,-1.1 -3,-0.2 -1,-0.2 0.943 113.2 37.8 -58.1 -49.5 -41.4 -21.8 10.6 21 21 A V H X S+ 0 0 40 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.905 116.1 52.3 -71.1 -41.4 -41.8 -18.1 10.6 22 22 A H H X S+ 0 0 15 -4,-2.7 4,-2.5 1,-0.2 3,-0.2 0.927 107.5 50.9 -62.8 -44.9 -39.1 -17.4 13.2 23 23 A E H X S+ 0 0 66 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.819 106.3 56.1 -64.8 -26.9 -36.5 -19.5 11.3 24 24 A A H X S+ 0 0 31 -4,-1.1 4,-1.6 -5,-0.2 -1,-0.2 0.878 109.3 46.8 -70.0 -36.2 -37.3 -17.6 8.1 25 25 A H H X S+ 0 0 20 -4,-1.6 4,-3.1 2,-0.2 8,-0.3 0.871 109.6 53.2 -70.1 -39.7 -36.5 -14.3 10.0 26 26 A V H < S+ 0 0 27 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.913 109.6 50.3 -57.2 -43.5 -33.3 -15.8 11.5 27 27 A K H < S+ 0 0 163 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.902 119.8 33.8 -65.3 -40.8 -32.2 -16.7 8.0 28 28 A E H < S+ 0 0 97 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.845 134.2 22.5 -87.8 -36.3 -32.8 -13.2 6.5 29 29 A R >X + 0 0 38 -4,-3.1 4,-2.7 -5,-0.2 3,-2.0 -0.474 64.0 154.9-130.7 64.2 -32.0 -11.0 9.5 30 30 A G T 34 S+ 0 0 34 -3,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.608 70.7 71.3 -66.4 -10.7 -29.7 -13.0 11.7 31 31 A D T 34 S+ 0 0 77 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.715 115.7 22.5 -73.8 -20.0 -28.3 -9.7 13.0 32 32 A I T <4 S+ 0 0 8 -3,-2.0 209,-2.7 -7,-0.2 2,-0.3 0.786 119.3 58.1-110.7 -47.1 -31.6 -9.3 14.8 33 33 A F B < -L 240 0B 18 -4,-2.7 2,-0.4 -8,-0.3 207,-0.3 -0.686 61.5-159.1 -98.1 145.2 -33.1 -12.7 15.2 34 34 A R - 0 0 82 205,-1.9 2,-0.2 -2,-0.3 -8,-0.1 -0.925 19.3-119.8-123.1 139.8 -31.6 -15.8 17.0 35 35 A S + 0 0 56 -2,-0.4 2,-0.3 -9,-0.1 205,-0.1 -0.494 41.3 157.6 -74.1 148.6 -32.5 -19.5 16.6 36 36 A N - 0 0 54 -2,-0.2 4,-0.1 203,-0.1 203,-0.0 -0.976 42.1 -98.0-163.8 158.2 -33.7 -21.4 19.7 37 37 A E S S+ 0 0 189 -2,-0.3 2,-0.1 1,-0.2 -2,-0.0 -0.965 113.1 22.1-125.2 111.9 -35.7 -24.5 20.6 38 38 A P S S- 0 0 58 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.642 71.7-170.0 -82.0 171.8 -38.4 -23.7 21.2 39 39 A T S S+ 0 0 2 -24,-0.2 2,-0.6 -2,-0.1 -2,-0.1 0.675 77.8 64.6 -91.8 -22.6 -38.9 -20.4 19.4 40 40 A L S S- 0 0 8 -25,-0.1 -1,-0.1 -4,-0.1 -25,-0.1 -0.892 83.1-137.8-103.9 117.3 -42.3 -19.9 21.2 41 41 A N > - 0 0 83 -2,-0.6 4,-2.1 1,-0.1 5,-0.1 -0.593 8.2-146.7 -71.5 124.5 -42.1 -19.4 25.0 42 42 A P H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.754 98.3 54.9 -67.9 -25.8 -45.0 -21.5 26.5 43 43 A S H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.891 109.1 47.9 -70.8 -40.4 -45.4 -18.9 29.3 44 44 A R H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.879 111.9 50.3 -64.0 -40.3 -45.8 -16.2 26.8 45 45 A F H X S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.938 109.6 50.5 -63.4 -46.2 -48.3 -18.3 24.9 46 46 A Q H X S+ 0 0 85 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.908 110.5 49.9 -57.6 -44.5 -50.2 -19.0 28.1 47 47 A A H X S+ 0 0 63 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.867 109.9 50.8 -62.5 -38.5 -50.3 -15.3 28.8 48 48 A A H < S+ 0 0 15 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.914 112.3 46.5 -66.0 -42.9 -51.6 -14.5 25.3 49 49 A V H < S+ 0 0 25 -4,-2.3 7,-0.2 1,-0.2 -2,-0.2 0.897 122.8 33.5 -65.4 -42.6 -54.4 -17.0 25.6 50 50 A Q H < S+ 0 0 135 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.486 91.4 120.9 -96.8 -6.3 -55.6 -16.0 29.0 51 51 A G < - 0 0 29 -4,-1.3 -3,-0.0 -5,-0.2 -4,-0.0 -0.190 65.5-129.1 -62.5 153.1 -54.8 -12.3 28.7 52 52 A E S S+ 0 0 174 1,-0.2 -1,-0.1 3,-0.0 -4,-0.0 0.882 105.4 26.3 -70.3 -39.7 -57.6 -9.7 29.1 53 53 A K S S+ 0 0 112 20,-0.0 21,-2.7 2,-0.0 2,-0.3 0.365 109.3 82.7-109.2 3.8 -56.9 -7.8 25.9 54 54 A S E - B 0 73A 15 19,-0.2 2,-0.4 -7,-0.2 19,-0.2 -0.837 53.5-168.4-112.3 147.7 -55.3 -10.5 23.8 55 55 A T E - B 0 72A 18 17,-2.7 17,-2.6 -2,-0.3 2,-0.5 -1.000 9.0-155.5-135.5 134.6 -56.9 -13.2 21.7 56 56 A V E - B 0 71A 1 -2,-0.4 -50,-2.9 -7,-0.2 2,-0.4 -0.956 15.7-169.0-111.6 123.0 -55.3 -16.3 20.1 57 57 A L E -AB 5 70A 17 13,-2.7 13,-2.2 -2,-0.5 2,-0.4 -0.867 1.7-166.3-109.0 142.6 -57.2 -17.7 17.1 58 58 A V E -AB 4 69A 0 -54,-3.2 -54,-2.3 -2,-0.4 2,-0.6 -0.987 17.4-139.8-127.4 143.9 -56.6 -21.0 15.4 59 59 A F E -AB 3 68A 12 9,-2.9 8,-2.7 -2,-0.4 9,-1.0 -0.883 24.7-168.7 -92.7 123.2 -57.7 -22.5 12.0 60 60 A V E -AB 2 66A 1 -58,-3.2 -58,-2.4 -2,-0.6 6,-0.2 -0.957 8.1-145.3-116.9 128.3 -58.6 -26.2 12.5 61 61 A D > - 0 0 7 4,-2.8 3,-1.8 -2,-0.5 5,-0.0 -0.156 37.0 -86.6 -83.7-174.0 -59.2 -28.4 9.5 62 62 A E T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.602 127.2 56.8 -71.2 -12.8 -61.6 -31.4 9.1 63 63 A R T 3 S- 0 0 202 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.137 120.2-107.1-103.3 16.4 -59.0 -33.7 10.5 64 64 A E S < S+ 0 0 118 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.757 76.1 139.1 63.7 27.6 -58.7 -31.7 13.8 65 65 A K - 0 0 86 -52,-0.0 -4,-2.8 2,-0.0 2,-0.5 -0.859 56.3-122.0-105.2 136.2 -55.3 -30.4 12.7 66 66 A I E +B 60 0A 2 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.633 31.2 173.6 -76.4 123.7 -54.3 -26.8 13.3 67 67 A G E - 0 0 0 -8,-2.7 30,-2.6 -2,-0.5 2,-0.3 0.599 63.8 -1.2-105.3 -15.4 -53.3 -25.1 10.0 68 68 A A E -BC 59 96A 0 -9,-1.0 -9,-2.9 28,-0.2 -1,-0.3 -0.977 57.2-167.2-166.8 157.5 -52.8 -21.6 11.1 69 69 A Y E -BC 58 95A 2 26,-2.1 26,-2.1 -2,-0.3 2,-0.3 -0.972 1.9-164.7-146.6 163.9 -52.9 -19.3 14.1 70 70 A S E -BC 57 94A 0 -13,-2.2 -13,-2.7 -2,-0.3 2,-0.5 -0.992 10.9-149.1-148.7 147.7 -52.9 -15.6 15.0 71 71 A V E +BC 56 93A 10 22,-2.3 21,-1.7 -2,-0.3 22,-1.4 -0.984 24.5 178.3-116.4 126.3 -52.4 -13.5 18.1 72 72 A I E -BC 55 91A 0 -17,-2.6 -17,-2.7 -2,-0.5 2,-0.4 -0.918 13.9-154.5-129.3 157.1 -54.2 -10.2 18.3 73 73 A H E -BC 54 90A 61 17,-2.0 17,-2.8 -2,-0.3 2,-0.7 -0.987 17.4-133.0-134.3 137.5 -54.6 -7.4 20.8 74 74 A L E - C 0 89A 27 -21,-2.7 2,-0.5 -2,-0.4 15,-0.2 -0.821 33.5-166.7 -89.8 114.6 -57.3 -4.8 21.5 75 75 A V E + C 0 88A 56 13,-3.4 13,-2.8 -2,-0.7 2,-0.4 -0.897 12.0 177.6-114.5 131.4 -55.4 -1.5 21.8 76 76 A Q E - C 0 87A 90 -2,-0.5 11,-0.2 11,-0.2 9,-0.0 -0.978 6.9-176.3-135.3 121.3 -56.8 1.7 23.1 77 77 A T E - C 0 86A 65 9,-2.7 9,-2.0 -2,-0.4 3,-0.1 -0.950 25.9-126.0-112.8 141.5 -55.1 5.0 23.7 78 78 A P - 0 0 80 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.262 38.2 -78.5 -78.2 166.9 -57.0 7.9 25.3 79 79 A L - 0 0 98 6,-0.1 5,-0.2 3,-0.0 3,-0.0 -0.451 55.3-176.1 -60.3 133.1 -57.5 11.5 23.9 80 80 A L - 0 0 82 3,-2.6 3,-0.2 -2,-0.1 5,-0.1 -0.843 40.8-100.7-127.5 165.7 -54.3 13.5 24.4 81 81 A P S S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.899 122.0 20.3 -54.2 -41.6 -53.4 17.1 23.7 82 82 A T S S+ 0 0 36 1,-0.1 109,-2.1 114,-0.1 2,-0.4 0.348 120.8 60.8-112.6 5.0 -51.5 16.2 20.5 83 83 A X B S-M 190 0C 62 107,-0.3 -3,-2.6 -3,-0.2 107,-0.2 -0.997 75.9-122.9-135.3 137.9 -52.9 12.8 19.7 84 84 A Q - 0 0 67 105,-2.4 2,-0.1 -2,-0.4 107,-0.1 -0.354 38.7 -95.9 -70.1 152.6 -56.4 11.6 18.8 85 85 A Q - 0 0 117 -5,-0.1 2,-0.4 -2,-0.0 -6,-0.1 -0.469 52.6-171.2 -60.4 139.0 -58.1 8.9 20.8 86 86 A R E -C 77 0A 31 -9,-2.0 -9,-2.7 -2,-0.1 2,-0.4 -0.989 22.0-170.0-147.2 133.5 -57.5 5.6 18.9 87 87 A K E +C 76 0A 55 -2,-0.4 36,-3.3 -11,-0.2 37,-0.9 -0.988 23.5 162.6-124.5 124.6 -58.8 2.1 19.2 88 88 A T E -Cd 75 124A 8 -13,-2.8 -13,-3.4 -2,-0.4 2,-0.6 -0.927 40.9-126.9-136.6 158.4 -57.1 -0.7 17.1 89 89 A V E -Cd 74 125A 0 35,-2.2 37,-2.7 -2,-0.3 2,-0.5 -0.961 31.4-160.0 -98.8 121.0 -56.7 -4.4 16.7 90 90 A Y E -Cd 73 126A 68 -17,-2.8 -17,-2.0 -2,-0.6 2,-0.8 -0.909 6.8-149.1-103.6 124.2 -53.0 -5.1 16.5 91 91 A I E +Cd 72 127A 6 35,-2.8 37,-0.6 -2,-0.5 -19,-0.2 -0.836 20.1 173.4 -91.1 109.1 -51.9 -8.4 15.0 92 92 A S E + 0 0 43 -21,-1.7 2,-0.3 -2,-0.8 -20,-0.2 0.719 69.1 14.4 -85.3 -23.6 -48.6 -9.5 16.7 93 93 A D E +C 71 0A 30 -22,-1.4 -22,-2.3 2,-0.0 -1,-0.3 -0.987 54.0 167.3-153.6 137.2 -48.4 -12.9 15.0 94 94 A L E +C 70 0A 28 -2,-0.3 2,-0.4 -24,-0.2 -24,-0.2 -0.763 14.0 173.1-152.0 109.5 -50.1 -14.7 12.1 95 95 A C E -C 69 0A 5 -26,-2.1 -26,-2.1 -2,-0.2 2,-0.5 -0.970 14.0-168.3-123.6 128.5 -48.6 -17.9 10.8 96 96 A V E -C 68 0A 16 -2,-0.4 -28,-0.2 -28,-0.2 5,-0.1 -0.955 45.1 -94.2-109.3 130.0 -50.0 -20.3 8.1 97 97 A D > - 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