==== 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 21-APR-99 1QG8 . COMPND 2 MOLECULE: PROTEIN (SPORE COAT POLYSACCHARIDE BIOSYNTHESIS P . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.J.CHARNOCK . 238 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 1 0 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 1 1 0 1 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 62 0, 0.0 89,-0.4 0, 0.0 30,-0.2 0.000 360.0 360.0 360.0 156.7 -2.6 34.1 35.5 2 3 A K + 0 0 45 28,-1.0 89,-2.2 87,-0.2 88,-1.2 0.850 360.0 36.3 -75.0 -41.6 -3.8 32.0 38.3 3 4 A V E -ab 31 91A 0 27,-1.6 29,-2.1 86,-0.2 2,-0.5 -0.937 60.2-158.0-119.9 140.0 -1.0 29.4 37.9 4 5 A S E -ab 32 92A 0 87,-2.5 89,-2.3 -2,-0.4 2,-0.5 -0.980 14.4-162.5-109.8 119.0 2.6 29.5 36.9 5 6 A V E -ab 33 93A 0 27,-2.8 29,-2.9 -2,-0.5 2,-0.7 -0.862 6.5-157.6 -98.3 124.5 3.8 26.1 35.5 6 7 A I E -ab 34 94A 1 87,-2.7 89,-2.7 -2,-0.5 2,-0.4 -0.904 11.7-176.1-108.2 111.6 7.6 25.9 35.5 7 8 A M E -ab 35 95A 0 27,-3.0 29,-3.1 -2,-0.7 2,-0.4 -0.867 11.2-154.6-108.8 133.3 9.1 23.4 33.1 8 9 A T E -ab 36 96A 11 87,-1.2 89,-1.1 -2,-0.4 2,-0.4 -0.897 13.7-171.0-102.1 140.3 12.8 22.6 32.9 9 10 A S E +a 37 0A 3 27,-2.5 29,-2.4 -2,-0.4 2,-0.2 -0.995 16.5 158.6-133.3 133.4 14.2 21.3 29.6 10 11 A Y S S- 0 0 98 -2,-0.4 27,-0.0 27,-0.2 -2,-0.0 -0.694 71.0 -40.1-155.4 105.2 17.6 19.9 28.7 11 12 A N S S+ 0 0 59 -2,-0.2 3,-0.1 1,-0.1 31,-0.0 0.819 85.1 126.2 56.3 40.8 18.2 17.6 25.7 12 13 A K >> + 0 0 75 1,-0.1 4,-2.4 2,-0.0 3,-2.1 -0.392 20.3 156.3-123.8 58.5 15.2 15.3 25.7 13 14 A S T 34 + 0 0 16 1,-0.3 4,-0.5 2,-0.2 -1,-0.1 0.817 68.5 57.0 -53.5 -31.3 14.1 15.8 22.2 14 15 A D T 34 S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.536 120.2 27.6 -80.8 -8.5 12.2 12.5 21.9 15 16 A Y T X> S+ 0 0 89 -3,-2.1 4,-1.5 2,-0.1 3,-0.6 0.652 94.9 84.3-122.2 -24.1 10.0 13.3 24.9 16 17 A V H 3X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.785 85.9 58.7 -63.5 -33.0 9.6 17.1 25.3 17 18 A A H 3> S+ 0 0 34 -4,-0.5 4,-3.0 1,-0.2 -1,-0.2 0.920 105.7 47.7 -62.2 -46.0 6.7 17.5 22.8 18 19 A K H <> S+ 0 0 130 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.842 114.2 50.0 -60.3 -39.7 4.3 15.1 24.7 19 20 A S H X S+ 0 0 0 -4,-1.5 4,-1.1 78,-0.3 82,-0.3 0.957 113.5 42.4 -61.1 -52.9 5.2 16.9 27.9 20 21 A I H >X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 3,-1.0 0.955 113.9 52.8 -60.1 -44.2 4.5 20.4 26.5 21 22 A S H 3X S+ 0 0 54 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.859 103.5 57.8 -58.3 -38.1 1.3 19.2 24.8 22 23 A S H 3< S+ 0 0 11 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.769 111.2 42.3 -65.4 -27.2 0.0 17.8 28.0 23 24 A I H X< S+ 0 0 1 -4,-1.1 3,-2.0 -3,-1.0 -2,-0.2 0.882 111.5 52.7 -80.9 -46.0 0.3 21.2 29.7 24 25 A L H 3< S+ 0 0 27 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.816 108.2 52.3 -66.3 -21.8 -1.1 23.2 26.8 25 26 A S T 3< S+ 0 0 79 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.1 0.335 79.2 137.3 -92.1 10.7 -4.2 21.0 26.5 26 27 A Q < - 0 0 8 -3,-2.0 78,-0.2 1,-0.1 -3,-0.1 -0.193 60.2-131.6 -55.7 145.7 -5.1 21.3 30.3 27 28 A T S S+ 0 0 78 76,-2.1 2,-0.6 1,-0.1 -1,-0.1 0.659 101.4 65.0 -71.4 -17.4 -8.9 21.9 31.0 28 29 A F + 0 0 39 75,-0.4 78,-0.1 1,-0.1 -2,-0.1 -0.954 69.1 176.3-102.5 109.6 -7.8 24.8 33.4 29 30 A S + 0 0 76 -2,-0.6 2,-2.1 1,-0.1 -1,-0.1 0.588 44.1 100.7 -97.5 -5.7 -6.3 27.2 30.9 30 31 A D + 0 0 89 -29,-0.0 -27,-1.6 -26,-0.0 -28,-1.0 -0.457 61.5 103.8 -89.0 73.4 -5.4 30.3 33.0 31 32 A F E -a 3 0A 7 -2,-2.1 2,-0.4 -29,-0.2 -27,-0.2 -0.907 62.5-132.6-138.5 164.3 -1.7 29.7 33.4 32 33 A E E -a 4 0A 12 -29,-2.1 -27,-2.8 -2,-0.3 2,-0.6 -0.966 23.2-147.0-111.2 143.2 1.6 30.9 32.1 33 34 A L E -ac 5 57A 0 23,-2.6 25,-3.2 -2,-0.4 2,-0.5 -0.936 4.6-157.2-116.2 111.0 4.1 28.1 31.1 34 35 A F E -ac 6 58A 0 -29,-2.9 -27,-3.0 -2,-0.6 2,-0.7 -0.703 3.2-165.6 -82.9 126.8 7.8 28.8 31.7 35 36 A I E -ac 7 59A 0 23,-2.4 25,-2.5 -2,-0.5 2,-1.0 -0.908 7.9-171.5-108.9 100.4 9.9 26.7 29.4 36 37 A M E -ac 8 60A 1 -29,-3.1 -27,-2.5 -2,-0.7 2,-0.4 -0.784 6.0-171.8 -99.7 102.4 13.4 27.1 30.9 37 38 A D E -ac 9 61A 0 23,-2.7 25,-1.9 -2,-1.0 2,-0.5 -0.779 21.3-142.4 -95.5 134.4 15.7 25.4 28.4 38 39 A D - 0 0 5 -29,-2.4 23,-0.1 -2,-0.4 -1,-0.1 -0.240 63.8 -74.6 -92.6 46.7 19.4 24.9 29.4 39 40 A N S S- 0 0 44 -2,-0.5 -1,-0.1 23,-0.1 -29,-0.1 0.932 73.8-169.5 63.7 58.5 20.9 25.6 26.0 40 41 A S - 0 0 8 1,-0.1 -1,-0.1 -31,-0.1 -3,-0.0 -0.135 25.0 -82.6 -73.7 168.1 19.9 22.3 24.5 41 42 A N > - 0 0 71 1,-0.1 4,-2.3 4,-0.0 5,-0.1 -0.041 45.8-101.3 -67.3 161.4 21.0 20.7 21.2 42 43 A E H > S+ 0 0 144 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.854 117.9 58.1 -54.6 -40.6 19.4 21.6 18.0 43 44 A E H > S+ 0 0 109 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.922 110.4 44.6 -64.1 -39.3 17.1 18.6 17.7 44 45 A T H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.933 112.9 49.7 -70.3 -45.3 15.6 19.4 21.0 45 46 A L H X S+ 0 0 32 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.875 107.8 56.3 -60.7 -28.9 15.2 23.1 20.2 46 47 A N H < S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.786 108.1 47.2 -72.1 -36.9 13.6 22.1 16.9 47 48 A V H < S+ 0 0 45 -4,-1.5 4,-0.5 -3,-0.3 -1,-0.2 0.870 114.9 45.6 -66.2 -44.4 10.9 20.1 18.7 48 49 A I H >X S+ 0 0 1 -4,-2.2 3,-1.4 1,-0.2 4,-0.8 0.896 94.5 82.8 -66.0 -34.6 10.2 22.9 21.2 49 50 A R G >< S+ 0 0 141 -4,-2.2 3,-1.3 1,-0.3 4,-0.4 0.782 84.9 50.9 -46.6 -48.6 10.0 25.6 18.5 50 51 A P G >4 S+ 0 0 79 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.849 103.5 61.2 -62.1 -26.6 6.4 25.2 17.2 51 52 A F G X4 S+ 0 0 40 -3,-1.4 3,-2.0 -4,-0.5 6,-0.2 0.731 85.2 76.4 -75.4 -11.5 5.1 25.4 20.8 52 53 A L G << S+ 0 0 59 -3,-1.3 -1,-0.2 -4,-0.8 5,-0.2 0.825 80.3 72.2 -67.6 -16.3 6.5 28.9 21.2 53 54 A N G < S+ 0 0 147 -3,-1.4 2,-0.5 -4,-0.4 -1,-0.3 0.689 73.4 97.6 -74.5 -12.3 3.6 30.2 19.1 54 55 A D S X S- 0 0 42 -3,-2.0 3,-2.2 -4,-0.1 -30,-0.0 -0.659 76.8-139.8 -76.1 122.6 1.3 29.5 22.0 55 56 A N T 3 S+ 0 0 154 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.646 97.1 61.8 -64.9 -9.4 0.8 32.9 23.7 56 57 A R T 3 S+ 0 0 53 -24,-0.1 -23,-2.6 2,-0.0 2,-0.3 0.592 81.5 102.8 -89.6 -8.1 1.0 31.4 27.2 57 58 A V E < -c 33 0A 20 -3,-2.2 2,-0.6 -6,-0.2 -23,-0.2 -0.621 50.9-168.9 -82.1 128.2 4.5 30.1 26.7 58 59 A R E -c 34 0A 56 -25,-3.2 -23,-2.4 -2,-0.3 2,-0.4 -0.931 16.9-166.1-113.5 95.7 7.4 32.1 28.4 59 60 A F E +c 35 0A 60 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.754 12.8 174.8 -96.9 125.7 10.5 30.6 26.8 60 61 A Y E -c 36 0A 86 -25,-2.5 -23,-2.7 -2,-0.4 2,-0.4 -0.999 9.0-166.4-129.7 133.1 14.0 31.3 28.3 61 62 A Q E -c 37 0A 90 -2,-0.4 -23,-0.2 -25,-0.2 2,-0.1 -0.983 13.1-139.7-122.8 132.2 17.2 29.7 27.0 62 63 A S - 0 0 22 -25,-1.9 -23,-0.1 -2,-0.4 -22,-0.0 -0.316 11.4-135.2 -78.6 175.4 20.5 29.8 29.0 63 64 A D + 0 0 149 -2,-0.1 -1,-0.1 -25,-0.0 -25,-0.1 0.052 54.1 144.7-116.5 24.4 23.9 30.4 27.4 64 65 A I + 0 0 27 5,-0.1 2,-0.3 6,-0.0 -2,-0.0 -0.263 18.1 164.2 -65.6 143.7 25.5 27.6 29.5 65 66 A S + 0 0 85 1,-0.1 4,-0.5 -2,-0.0 3,-0.1 -0.943 31.4 26.1-163.3 133.5 28.2 25.4 27.9 66 67 A G S > S- 0 0 41 -2,-0.3 4,-2.3 2,-0.1 5,-0.2 0.119 83.0 -79.3 101.0 158.1 31.0 23.0 29.0 67 68 A V H > S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.804 123.7 56.6 -68.3 -31.1 31.5 20.6 32.0 68 69 A K H >> S+ 0 0 152 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.983 113.9 37.9 -61.8 -50.8 32.6 23.4 34.4 69 70 A E H >4 S+ 0 0 86 -4,-0.5 3,-0.7 1,-0.2 4,-0.5 0.889 114.5 55.2 -68.0 -34.8 29.4 25.4 33.9 70 71 A R H 3< S+ 0 0 26 -4,-2.3 5,-0.4 1,-0.2 -1,-0.2 0.750 116.8 37.0 -68.6 -22.3 27.2 22.3 33.8 71 72 A T H << S+ 0 0 17 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.415 91.7 88.0-111.0 3.7 28.6 21.1 37.2 72 73 A E S << S+ 0 0 123 -4,-0.8 2,-0.3 -3,-0.7 -2,-0.1 0.784 105.8 2.6 -68.2 -34.9 28.9 24.4 39.0 73 74 A K S S- 0 0 84 -4,-0.5 2,-1.0 107,-0.2 107,-0.2 -0.944 90.1 -88.6-142.2 162.1 25.4 24.3 40.2 74 75 A T > - 0 0 0 105,-2.5 4,-2.0 -2,-0.3 3,-0.4 -0.701 51.7-154.3 -73.4 104.3 22.4 21.8 40.1 75 76 A R H > S+ 0 0 23 -2,-1.0 4,-2.5 -5,-0.4 -1,-0.2 0.907 84.0 52.8 -59.3 -41.8 21.3 23.5 36.8 76 77 A Y H > S+ 0 0 48 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.845 108.5 52.1 -66.8 -27.1 17.6 22.7 36.9 77 78 A A H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 100,-0.3 0.902 109.3 50.2 -69.8 -40.9 17.4 24.2 40.4 78 79 A A H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.931 112.3 47.4 -62.8 -37.3 19.1 27.4 39.1 79 80 A L H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.871 110.4 51.4 -71.5 -39.4 16.6 27.6 36.2 80 81 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.906 109.2 51.0 -60.4 -43.7 13.6 27.0 38.5 81 82 A N H X S+ 0 0 14 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.874 108.7 52.1 -61.9 -35.8 14.8 29.8 40.8 82 83 A Q H X S+ 0 0 85 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.930 111.4 46.2 -61.2 -43.3 15.1 32.2 37.8 83 84 A A H >X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.7 0.895 107.4 57.2 -68.4 -35.9 11.5 31.4 36.7 84 85 A I H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.898 102.3 55.9 -57.2 -46.3 10.2 31.8 40.3 85 86 A E H 3< S+ 0 0 154 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.747 114.2 39.8 -61.5 -22.6 11.6 35.4 40.3 86 87 A M H << S+ 0 0 57 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.541 90.4 122.2 -98.9 -8.8 9.5 36.1 37.1 87 88 A A << - 0 0 12 -4,-1.1 -83,-0.1 -3,-0.6 -3,-0.0 -0.303 35.3-179.3 -66.9 138.1 6.4 34.2 38.1 88 89 A E + 0 0 131 -85,-0.1 -1,-0.1 -2,-0.1 2,-0.1 0.461 46.5 109.2-111.4 -1.5 3.1 36.0 38.3 89 90 A G - 0 0 4 1,-0.1 -86,-0.2 2,-0.1 -87,-0.2 -0.372 63.2-142.1 -76.6 152.3 0.8 33.2 39.4 90 91 A E S S+ 0 0 92 -88,-1.2 73,-2.6 -89,-0.4 2,-0.4 0.791 95.3 45.8 -73.0 -37.0 -0.8 32.8 42.8 91 92 A Y E S-bD 3 162A 2 -89,-2.2 -87,-2.5 71,-0.2 2,-0.4 -0.926 76.5-155.9-111.8 137.0 -0.1 29.0 42.6 92 93 A I E +bD 4 161A 0 69,-3.1 69,-2.4 -2,-0.4 2,-0.3 -0.909 15.8 171.2-113.1 138.2 3.2 27.5 41.5 93 94 A T E -bD 5 160A 0 -89,-2.3 -87,-2.7 -2,-0.4 2,-0.3 -0.979 21.3-131.3-144.6 159.4 3.7 24.0 40.0 94 95 A Y E +b 6 0A 0 65,-0.7 2,-0.3 62,-0.3 -87,-0.2 -0.831 21.1 174.0-120.8 149.6 6.5 22.2 38.3 95 96 A A E -b 7 0A 1 -89,-2.7 -87,-1.2 -2,-0.3 2,-0.3 -0.906 12.0-152.0-143.4 160.9 6.9 20.2 35.2 96 97 A T E > -b 8 0A 18 -2,-0.3 3,-1.0 -89,-0.2 -87,-0.1 -0.884 32.9-103.8-135.0 169.7 9.7 18.5 33.2 97 98 A D T 3 S+ 0 0 5 -89,-1.1 -78,-0.3 -2,-0.3 -77,-0.1 0.460 118.1 38.2 -75.1 6.3 10.5 17.5 29.7 98 99 A D T 3 S+ 0 0 59 -79,-0.1 114,-0.5 -80,-0.1 2,-0.4 0.111 98.5 87.1-140.8 24.4 9.8 13.8 30.2 99 100 A N E < -E 211 0A 2 -3,-1.0 2,-0.5 112,-0.1 112,-0.2 -0.940 62.8-145.0-123.9 141.5 6.7 13.9 32.5 100 101 A I E -E 210 0A 14 110,-2.9 110,-2.5 -2,-0.4 2,-0.4 -0.946 5.0-142.5-111.0 129.0 3.1 14.1 31.4 101 102 A Y E -E 209 0A 5 -2,-0.5 108,-0.2 -82,-0.3 107,-0.1 -0.704 23.7-123.9 -82.6 136.2 0.3 16.0 33.1 102 103 A M > - 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