==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JAN-10 3LDG . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN SMU.472; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR K.-T.WANG,X.-D.SU . 378 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 12.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 31 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 1 0 0 0 0 5 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 1 1 3 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 1 1 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 X 0 0 100 0, 0.0 85,-0.2 0, 0.0 84,-0.1 0.000 360.0 360.0 360.0 158.6 33.3 52.8 21.1 2 2 A K + 0 0 60 83,-2.8 3,-0.1 1,-0.1 41,-0.1 -0.157 360.0 173.1 -52.2 130.9 33.5 55.4 23.8 3 3 A K + 0 0 119 1,-0.3 2,-0.5 39,-0.1 40,-0.3 0.694 65.8 47.9-113.5 -31.4 32.9 59.0 22.6 4 4 A T S S- 0 0 101 38,-0.1 2,-0.4 39,-0.1 -1,-0.3 -0.965 73.4-163.6-115.2 131.1 32.8 61.0 25.8 5 5 A F E -A 41 0A 0 36,-3.0 36,-1.6 -2,-0.5 2,-0.5 -0.891 22.8-141.9-120.2 139.1 35.6 60.5 28.4 6 6 A N E -A 40 0A 93 56,-0.5 56,-3.0 -2,-0.4 2,-0.3 -0.878 40.9-171.2 -90.4 125.5 36.2 61.3 32.0 7 7 A L E -AB 39 61A 2 32,-3.1 32,-2.6 -2,-0.5 2,-0.4 -0.858 21.5-161.8-128.0 153.3 39.9 62.3 32.1 8 8 A V E -AB 38 60A 0 52,-1.9 52,-2.2 -2,-0.3 2,-0.6 -1.000 7.3-157.6-135.2 134.5 42.6 63.1 34.6 9 9 A A E -AB 37 59A 0 28,-2.6 28,-2.3 -2,-0.4 2,-0.3 -0.971 21.5-146.6-104.1 121.6 45.9 64.9 34.1 10 10 A T E +AB 36 58A 24 48,-2.1 47,-3.3 -2,-0.6 48,-0.7 -0.649 24.5 172.0 -85.6 148.6 48.3 63.8 36.9 11 11 A A - 0 0 5 24,-1.7 5,-0.1 -2,-0.3 45,-0.1 -0.989 36.4 -91.5-156.0 150.5 50.7 66.5 38.2 12 12 A A > - 0 0 36 43,-0.4 3,-2.1 -2,-0.3 4,-0.4 -0.254 58.6 -85.2 -64.0 151.7 53.3 66.9 41.0 13 13 A A T 3 S+ 0 0 34 1,-0.3 348,-0.7 2,-0.2 -1,-0.1 -0.357 116.7 29.0 -60.6 127.7 52.1 68.5 44.2 14 14 A G T 3 S+ 0 0 20 346,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.234 112.1 65.2 105.1 -14.4 52.2 72.3 43.9 15 15 A I X> + 0 0 1 -3,-2.1 4,-1.9 2,-0.1 3,-0.8 0.355 61.4 103.4-122.6 9.6 51.7 72.5 40.2 16 16 A E H 3> S+ 0 0 22 -4,-0.4 4,-2.6 1,-0.3 5,-0.1 0.903 83.0 56.0 -54.3 -41.4 48.1 71.2 39.7 17 17 A A H 3> S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.805 103.1 53.5 -61.0 -32.7 47.0 74.8 39.3 18 18 A V H <> S+ 0 0 12 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.927 109.9 47.9 -68.9 -45.0 49.5 75.3 36.4 19 19 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.911 109.6 54.3 -57.6 -44.5 48.0 72.2 34.7 20 20 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.936 109.6 46.4 -54.2 -47.3 44.5 73.7 35.4 21 21 A K H X S+ 0 0 79 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.906 111.0 51.7 -65.7 -43.0 45.5 76.9 33.6 22 22 A E H X S+ 0 0 25 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.908 110.4 49.3 -57.7 -44.2 47.0 75.1 30.7 23 23 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-1.0 0.911 107.6 54.2 -63.8 -41.5 43.8 73.1 30.3 24 24 A R H ><5S+ 0 0 135 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.885 103.5 56.5 -59.7 -37.7 41.7 76.2 30.4 25 25 A N H 3<5S+ 0 0 138 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.705 103.2 54.7 -66.1 -20.6 43.8 77.6 27.6 26 26 A L T <<5S- 0 0 62 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.368 129.3-100.6 -89.8 -0.8 42.8 74.6 25.6 27 27 A G T < 5S+ 0 0 68 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.692 78.9 136.9 91.6 23.6 39.2 75.4 26.2 28 28 A L < - 0 0 26 -5,-2.1 -1,-0.2 -8,-0.1 -2,-0.2 -0.900 48.0-144.2-115.5 121.9 38.6 72.9 29.1 29 29 A D - 0 0 143 -2,-0.5 11,-0.4 11,-0.1 2,-0.3 -0.489 34.5-179.8 -66.3 149.9 36.8 73.4 32.4 30 30 A C - 0 0 25 -2,-0.1 2,-0.5 9,-0.1 9,-0.2 -0.985 32.5-131.7-153.9 162.4 38.6 71.4 35.1 31 31 A Q E -C 38 0A 101 7,-2.3 7,-2.6 -2,-0.3 2,-0.5 -0.965 25.1-144.7-119.0 113.3 38.6 70.4 38.8 32 32 A V E +C 37 0A 75 -2,-0.5 5,-0.2 5,-0.2 2,-0.2 -0.666 29.8 161.4 -82.6 122.0 41.9 70.8 40.5 33 33 A E E > -C 36 0A 91 3,-2.9 3,-0.7 -2,-0.5 2,-0.6 -0.623 50.9 -59.7-122.2-174.7 42.6 68.2 43.2 34 34 A N T 3 S- 0 0 134 1,-0.2 -21,-0.1 -2,-0.2 3,-0.1 -0.620 119.2 -14.5 -71.9 114.4 45.7 66.8 45.0 35 35 A G T 3 S+ 0 0 24 -2,-0.6 -24,-1.7 -23,-0.2 2,-0.3 0.500 131.4 65.2 75.3 5.3 48.1 65.4 42.4 36 36 A R E < -AC 10 33A 27 -3,-0.7 -3,-2.9 -26,-0.3 2,-0.4 -0.998 59.7-153.0-160.5 146.1 45.4 65.4 39.7 37 37 A V E -AC 9 32A 0 -28,-2.3 -28,-2.6 -2,-0.3 2,-0.3 -0.995 21.5-146.6-126.2 125.5 43.1 67.6 37.6 38 38 A L E +AC 8 31A 44 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.3 -0.711 28.9 149.1 -93.1 139.9 39.8 66.2 36.4 39 39 A F E -A 7 0A 5 -32,-2.6 -32,-3.1 -2,-0.3 2,-0.3 -0.881 31.2-131.0-150.8-177.2 38.3 67.1 33.1 40 40 A K E +A 6 0A 88 -11,-0.4 2,-0.3 -2,-0.3 -34,-0.2 -0.927 35.0 129.5-135.5 162.3 36.0 65.7 30.3 41 41 A G E -A 5 0A 15 -36,-1.6 -36,-3.0 -2,-0.3 2,-0.1 -0.989 46.8 -86.3 173.5-177.9 36.3 65.6 26.5 42 42 A N > - 0 0 81 -2,-0.3 4,-1.4 -38,-0.2 3,-0.3 -0.356 59.3 -82.2-100.4-175.8 36.2 63.7 23.3 43 43 A I H > S+ 0 0 37 -40,-0.3 4,-2.0 1,-0.2 5,-0.2 0.883 130.4 58.4 -58.1 -38.5 39.1 61.8 21.6 44 44 A E H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.885 101.9 55.9 -60.2 -36.8 40.4 65.0 20.1 45 45 A T H > S+ 0 0 19 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.909 105.0 52.4 -55.7 -43.4 40.7 66.3 23.7 46 46 A I H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.898 112.6 44.9 -60.3 -39.4 42.9 63.3 24.5 47 47 A A H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.945 115.3 45.2 -71.2 -47.3 45.1 64.1 21.6 48 48 A K H X S+ 0 0 37 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.876 113.0 50.6 -69.2 -35.9 45.4 67.9 22.2 49 49 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.908 113.2 44.3 -72.1 -41.3 46.0 67.4 25.9 50 50 A N H < S+ 0 0 1 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.908 118.5 46.0 -61.0 -44.0 48.8 64.9 25.4 51 51 A L H < S+ 0 0 3 -4,-2.5 169,-2.3 -5,-0.2 -2,-0.2 0.905 123.5 29.4 -67.0 -39.9 50.3 67.0 22.7 52 52 A W H < S+ 0 0 33 -4,-2.5 2,-0.5 -5,-0.2 -3,-0.2 0.710 83.7 102.2-102.3 -26.6 50.1 70.4 24.4 53 53 A L < - 0 0 2 -4,-1.9 -34,-0.1 -5,-0.2 126,-0.0 -0.506 38.2-179.9 -72.6 117.1 50.3 70.2 28.2 54 54 A R S S+ 0 0 13 -2,-0.5 128,-0.3 1,-0.1 129,-0.2 0.670 77.3 41.7 -83.9 -18.9 53.8 71.2 29.4 55 55 A S S S+ 0 0 0 127,-0.2 -43,-0.4 -37,-0.1 -36,-0.2 0.552 92.6 89.9-114.7 -9.1 53.3 70.7 33.1 56 56 A A - 0 0 0 -45,-0.1 -45,-0.2 1,-0.1 3,-0.1 -0.425 58.9-147.7 -87.8 163.3 51.3 67.5 33.5 57 57 A D S S- 0 0 40 -47,-3.3 107,-2.7 1,-0.4 2,-0.3 0.836 71.3 -9.7 -93.2 -49.7 52.7 63.9 33.9 58 58 A R E -B 10 0A 66 -48,-0.7 -48,-2.1 105,-0.2 2,-0.5 -0.986 51.4-134.8-151.5 154.3 50.1 61.7 32.2 59 59 A I E +B 9 0A 0 -2,-0.3 100,-2.1 -50,-0.2 101,-0.8 -0.967 33.1 177.4-109.6 126.7 46.7 61.8 30.7 60 60 A K E -BD 8 158A 22 -52,-2.2 -52,-1.9 -2,-0.5 2,-0.5 -0.944 29.0-125.4-132.7 148.7 44.4 58.9 31.7 61 61 A I E -BD 7 157A 0 96,-3.3 96,-2.4 -2,-0.3 2,-0.9 -0.795 20.1-140.9 -87.8 128.5 40.8 57.7 31.1 62 62 A V E - D 0 156A 18 -56,-3.0 -56,-0.5 -2,-0.5 94,-0.2 -0.830 21.2-179.4 -86.0 110.4 38.8 57.1 34.2 63 63 A V E - 0 0 13 92,-2.4 19,-0.3 -2,-0.9 2,-0.3 0.868 57.3 -46.8 -78.7 -36.3 36.8 54.0 33.3 64 64 A G E - D 0 155A 15 91,-1.3 91,-2.8 -3,-0.1 2,-0.3 -0.941 41.8-135.5 172.6 162.4 35.0 53.8 36.6 65 65 A E E + D 0 154A 113 -2,-0.3 89,-0.2 89,-0.2 87,-0.0 -0.990 28.3 154.3-138.8 143.6 35.0 53.8 40.4 66 66 A F E - D 0 153A 31 87,-1.6 87,-3.0 -2,-0.3 2,-0.2 -0.985 44.0 -90.9-163.7 156.2 33.3 51.6 42.9 67 67 A P E + D 0 152A 87 0, 0.0 2,-0.3 0, 0.0 85,-0.2 -0.531 40.7 174.5 -74.5 145.1 33.6 50.3 46.5 68 68 A A + 0 0 2 83,-2.7 37,-0.3 -2,-0.2 36,-0.1 -0.784 20.5 154.3-155.8 108.7 35.5 47.0 47.0 69 69 A R S S+ 0 0 40 -2,-0.3 2,-0.3 35,-0.1 -1,-0.1 0.631 73.5 40.9-106.0 -20.5 36.3 45.5 50.4 70 70 A T S > S- 0 0 67 81,-0.1 4,-2.3 35,-0.1 5,-0.1 -0.877 85.7-113.1-125.6 160.1 36.6 41.8 49.2 71 71 A F H > S+ 0 0 74 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.781 117.9 53.7 -63.9 -28.4 38.1 40.2 46.2 72 72 A E H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.876 108.2 49.5 -72.0 -37.8 34.7 39.1 44.9 73 73 A E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 112.1 49.8 -64.7 -37.9 33.5 42.7 45.2 74 74 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.928 111.0 48.7 -63.6 -44.0 36.6 43.8 43.3 75 75 A F H X S+ 0 0 39 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.942 114.4 44.2 -62.4 -48.6 36.0 41.2 40.6 76 76 A Q H X S+ 0 0 97 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.866 111.7 54.0 -67.0 -35.2 32.3 42.1 40.1 77 77 A G H X S+ 0 0 13 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.937 113.8 40.8 -64.9 -46.1 33.1 45.8 40.2 78 78 A V H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 5,-0.2 0.919 112.6 54.5 -68.1 -45.4 35.7 45.5 37.4 79 79 A Y H 3< S+ 0 0 60 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.876 103.7 58.9 -52.8 -40.3 33.6 43.1 35.4 80 80 A A H 3< S+ 0 0 69 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.697 83.3 100.2 -66.8 -24.4 30.7 45.6 35.5 81 81 A L S << S- 0 0 22 -3,-1.1 2,-1.6 -4,-0.6 3,-0.3 -0.260 87.1-107.8 -64.6 158.7 32.6 48.4 33.8 82 82 A D > + 0 0 33 -19,-0.3 3,-2.5 1,-0.2 4,-0.2 -0.351 55.4 153.6 -88.1 58.0 32.0 49.0 30.1 83 83 A W G >> + 0 0 0 -2,-1.6 4,-3.3 1,-0.3 3,-2.4 0.786 64.5 73.5 -56.7 -29.9 35.3 47.6 28.7 84 84 A E G 34 S+ 0 0 42 1,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.705 91.0 58.1 -56.9 -22.8 33.5 46.8 25.5 85 85 A N G <4 S+ 0 0 52 -3,-2.5 -83,-2.8 -84,-0.1 -1,-0.3 0.499 121.5 23.7 -83.7 -4.6 33.6 50.6 24.8 86 86 A Y T <4 S+ 0 0 4 -3,-2.4 -2,-0.2 -4,-0.2 146,-0.2 0.664 109.5 66.3-125.7 -38.8 37.4 50.7 25.0 87 87 A L < - 0 0 0 -4,-3.3 -1,-0.2 4,-0.0 3,-0.1 -0.809 62.6-154.7-106.4 107.3 38.9 47.3 24.3 88 88 A P > - 0 0 28 0, 0.0 3,-1.9 0, 0.0 2,-0.2 -0.346 39.7 -84.7 -70.4 157.3 38.7 45.7 20.9 89 89 A L T 3 S+ 0 0 92 1,-0.3 48,-0.1 -5,-0.1 -5,-0.0 -0.417 115.9 20.5 -63.3 128.9 38.9 42.0 20.4 90 90 A G T 3 S+ 0 0 19 46,-0.4 49,-3.6 1,-0.3 48,-0.4 0.365 91.7 131.6 95.1 -4.9 42.5 40.8 20.3 91 91 A C < - 0 0 3 -3,-1.9 2,-0.4 47,-0.2 -1,-0.3 -0.416 59.6-114.1 -78.1 158.0 44.1 43.9 21.9 92 92 A Q B +h 141 0B 73 48,-1.9 50,-2.6 45,-0.1 -1,-0.1 -0.767 31.9 177.1 -87.5 134.4 46.6 43.7 24.8 93 93 A F - 0 0 2 -2,-0.4 50,-0.1 48,-0.2 26,-0.1 -0.527 5.9-178.7-135.8 70.9 45.4 45.0 28.1 94 94 A P - 0 0 44 0, 0.0 50,-2.9 0, 0.0 2,-0.5 -0.391 20.0-135.4 -64.9 148.9 48.1 44.5 30.7 95 95 A V B -e 144 0A 14 48,-0.2 50,-0.2 17,-0.1 3,-0.1 -0.932 26.4 -95.8-105.4 128.8 47.2 45.7 34.2 96 96 A A - 0 0 29 48,-3.6 2,-0.2 -2,-0.5 48,-0.1 -0.082 31.0 -95.4 92.5-163.4 49.4 47.6 36.6 97 97 A K - 0 0 85 49,-0.1 49,-0.3 11,-0.0 -1,-0.3 0.269 66.0-132.2 -60.7 157.7 51.3 47.5 38.9 98 98 A A - 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