==== 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 03-NOV-03 1O6B . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR STRUCTURAL GENOMIX . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 1 0 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 85 0, 0.0 2,-1.1 0, 0.0 82,-0.2 0.000 360.0 360.0 360.0 142.7 125.0 96.3 129.2 2 3 A S + 0 0 37 80,-0.1 28,-2.1 81,-0.0 27,-0.6 -0.702 360.0 137.2-100.8 74.7 127.9 94.3 128.0 3 4 A I E +a 30 0A 27 -2,-1.1 80,-2.0 78,-0.2 81,-1.0 -0.988 25.4 173.9-125.4 134.4 126.3 90.9 128.6 4 5 A A E -ab 31 84A 0 26,-2.2 28,-2.5 -2,-0.4 2,-0.4 -0.923 21.3-136.1-136.9 157.1 126.3 87.7 126.4 5 6 A V E -ab 32 85A 0 79,-2.6 81,-3.5 -2,-0.3 28,-0.2 -0.952 5.4-163.0-116.1 137.9 125.2 84.1 126.6 6 7 A C E -a 33 0A 6 26,-2.8 28,-1.8 -2,-0.4 2,-0.2 -0.908 22.3-176.5-113.9 95.0 127.2 81.1 125.5 7 8 A P E +a 34 0A 9 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.588 16.8 128.2 -95.4 160.6 124.7 78.2 125.2 8 9 A G E -a 35 0A 8 26,-1.5 28,-3.7 -2,-0.2 30,-0.1 -0.945 64.4-106.5 169.6 165.2 125.4 74.6 124.3 9 10 A S - 0 0 61 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.795 43.4-164.1 -82.1 -23.0 124.8 71.0 125.4 10 11 A F > - 0 0 9 1,-0.2 3,-0.7 2,-0.2 44,-0.1 0.940 8.4-171.8 38.9 70.5 128.5 70.9 126.5 11 12 A D T 3 S- 0 0 6 1,-0.6 33,-0.3 33,-0.0 -1,-0.2 -0.640 84.3 -10.9-127.4 74.8 128.5 67.1 126.7 12 13 A P T 3 S- 0 0 0 0, 0.0 -1,-0.6 0, 0.0 -2,-0.2 0.629 93.5-119.0-100.2 168.4 131.1 67.3 127.9 13 14 A V < - 0 0 2 -3,-0.7 2,-0.2 37,-0.2 136,-0.0 -0.445 38.2-166.9 -55.8 137.3 132.8 70.7 127.7 14 15 A T > - 0 0 2 131,-0.1 4,-2.5 -2,-0.1 131,-0.2 -0.756 39.1 -97.4-120.7 173.9 136.0 70.5 125.7 15 16 A Y H > S+ 0 0 67 129,-2.8 4,-2.0 -2,-0.2 130,-0.1 0.778 124.9 58.7 -62.8 -28.9 139.1 72.7 125.1 16 17 A G H > S+ 0 0 19 128,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.933 108.7 43.8 -67.3 -41.0 137.3 73.8 121.9 17 18 A H H > S+ 0 0 50 -3,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.908 112.1 53.2 -66.8 -44.8 134.3 75.0 123.9 18 19 A L H X S+ 0 0 15 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.856 104.1 55.5 -60.3 -36.9 136.5 76.6 126.5 19 20 A D H X S+ 0 0 34 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.901 110.9 45.2 -61.6 -43.7 138.4 78.6 123.8 20 21 A I H X S+ 0 0 14 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.943 113.9 50.0 -63.7 -47.5 135.0 80.0 122.6 21 22 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.958 112.9 45.0 -57.6 -50.4 133.9 80.7 126.2 22 23 A K H X S+ 0 0 119 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.885 112.1 51.7 -64.8 -35.1 137.2 82.6 127.1 23 24 A R H X S+ 0 0 60 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.906 112.1 47.6 -65.6 -40.4 137.2 84.6 123.9 24 25 A G H >X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 3,-0.8 0.961 110.7 50.9 -65.1 -42.7 133.6 85.6 124.6 25 26 A A H 3< S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.755 105.7 57.4 -68.4 -23.5 134.5 86.5 128.2 26 27 A H H 3< S+ 0 0 154 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.834 113.2 39.0 -74.4 -33.7 137.4 88.6 127.0 27 28 A I H << S+ 0 0 109 -4,-1.2 2,-0.3 -3,-0.8 -2,-0.2 0.863 114.1 53.0 -82.8 -42.5 135.0 90.8 124.9 28 29 A F S < S- 0 0 18 -4,-2.5 3,-0.1 -5,-0.1 -25,-0.1 -0.702 74.4-133.1 -98.4 153.0 132.0 91.1 127.1 29 30 A E S S+ 0 0 87 -27,-0.6 2,-0.4 -2,-0.3 -26,-0.2 0.857 95.6 21.9 -70.2 -37.9 131.9 92.3 130.7 30 31 A Q E -a 3 0A 41 -28,-2.1 -26,-2.2 2,-0.0 2,-0.4 -0.994 68.0-170.3-134.3 136.5 129.7 89.4 131.8 31 32 A V E -ac 4 64A 0 32,-2.8 34,-2.2 -2,-0.4 2,-0.6 -0.985 7.8-157.5-127.6 127.4 129.2 86.0 130.2 32 33 A Y E -ac 5 65A 46 -28,-2.5 -26,-2.8 -2,-0.4 2,-0.7 -0.907 8.0-153.2-103.4 118.5 126.6 83.5 131.1 33 34 A V E -ac 6 66A 0 32,-2.3 34,-3.1 -2,-0.6 2,-0.6 -0.843 17.0-164.1 -91.8 115.4 127.4 79.9 130.1 34 35 A C E -ac 7 67A 0 -28,-1.8 -26,-1.5 -2,-0.7 2,-0.7 -0.908 14.8-145.2-108.6 120.1 124.0 78.1 129.7 35 36 A V E -ac 8 68A 0 32,-2.5 34,-0.9 -2,-0.6 2,-0.7 -0.684 21.1-150.5 -82.7 111.9 123.8 74.3 129.6 36 37 A L - 0 0 29 -28,-3.7 34,-0.1 -2,-0.7 -1,-0.0 -0.799 14.2-163.6 -92.0 120.2 120.9 73.7 127.1 37 38 A N + 0 0 106 -2,-0.7 -1,-0.2 32,-0.5 33,-0.1 0.859 60.2 111.3 -63.3 -34.5 119.0 70.5 127.8 38 39 A N + 0 0 77 -3,-0.1 2,-0.3 -30,-0.1 -2,-0.1 0.091 46.2 156.1 -37.8 149.4 117.6 70.9 124.3 39 40 A S - 0 0 69 1,-0.1 -1,-0.0 4,-0.0 -2,-0.0 -0.874 57.3-146.4 179.7 150.9 118.8 68.3 121.8 40 41 A S S S+ 0 0 104 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.043 97.6 39.3-106.8 26.8 118.5 66.2 118.7 41 42 A K S S- 0 0 129 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.965 92.2 -91.9-169.3 156.8 120.3 63.4 120.7 42 43 A K - 0 0 83 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.646 45.1-130.2 -81.4 122.4 120.6 61.7 124.1 43 44 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.443 3.0-141.7 -75.8 143.8 123.4 63.3 126.2 44 45 A L S S+ 0 0 28 -33,-0.3 2,-0.3 -2,-0.2 119,-0.0 0.925 88.6 41.0 -68.5 -45.9 126.1 61.3 127.9 45 46 A F S S- 0 0 7 1,-0.1 108,-0.0 2,-0.0 2,-0.0 -0.748 90.0-111.4-102.8 156.9 126.1 63.4 131.0 46 47 A S > - 0 0 57 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.285 34.0-105.5 -76.1 173.2 123.1 64.9 132.9 47 48 A V H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.911 121.6 50.6 -63.2 -41.7 122.5 68.6 132.9 48 49 A E H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.861 110.0 48.7 -67.5 -37.2 123.7 68.9 136.5 49 50 A E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 112.6 48.7 -68.3 -41.9 126.9 67.0 135.8 50 51 A R H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.938 110.8 51.1 -64.9 -38.7 127.6 69.2 132.7 51 52 A C H X S+ 0 0 6 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.896 111.0 47.1 -64.0 -47.5 127.0 72.3 134.8 52 53 A E H X S+ 0 0 52 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.909 110.5 51.8 -67.0 -38.4 129.3 71.3 137.6 53 54 A L H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.970 112.4 47.6 -59.7 -45.9 132.1 70.3 135.1 54 55 A L H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.881 110.2 51.5 -61.4 -41.8 131.6 73.8 133.6 55 56 A R H X S+ 0 0 130 -4,-2.5 4,-0.6 1,-0.2 3,-0.4 0.953 111.5 47.2 -60.9 -48.8 131.7 75.5 137.0 56 57 A E H < S+ 0 0 92 -4,-2.6 3,-0.4 1,-0.2 4,-0.2 0.844 112.6 48.2 -59.5 -42.0 134.9 73.8 138.0 57 58 A V H < S+ 0 0 29 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.710 120.4 36.3 -79.4 -15.2 136.7 74.5 134.7 58 59 A T H >< S+ 0 0 5 -4,-1.4 3,-1.9 -3,-0.4 -1,-0.2 0.312 80.3 110.1-116.0 12.3 135.8 78.2 134.6 59 60 A K T 3< S+ 0 0 120 -4,-0.6 -1,-0.1 -3,-0.4 -2,-0.1 0.785 77.7 54.4 -59.8 -26.3 136.0 79.1 138.3 60 61 A D T 3 S+ 0 0 139 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.578 89.7 84.2 -81.7 -10.1 139.1 81.2 137.9 61 62 A I X - 0 0 39 -3,-1.9 3,-1.1 1,-0.2 -1,-0.1 -0.840 66.6-164.8 -94.0 105.7 137.4 83.3 135.2 62 63 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.781 78.8 56.2 -66.0 -28.9 135.5 85.9 137.2 63 64 A N T 3 S+ 0 0 37 -33,-0.1 -32,-2.8 -35,-0.1 2,-0.4 0.078 90.2 93.0 -94.7 26.1 133.1 87.3 134.6 64 65 A I E < -c 31 0A 16 -3,-1.1 2,-0.4 -6,-0.2 -32,-0.2 -0.989 49.8-176.6-118.7 130.8 131.7 83.9 133.8 65 66 A T E -c 32 0A 53 -34,-2.2 -32,-2.3 -2,-0.4 2,-0.5 -0.997 15.2-148.0-126.2 122.9 128.5 82.5 135.5 66 67 A V E +c 33 0A 6 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.781 30.8 152.6 -96.3 121.8 127.4 78.9 134.6 67 68 A E E -c 34 0A 53 -34,-3.1 -32,-2.5 -2,-0.5 2,-0.3 -0.865 32.2-138.9-137.6 175.0 123.7 78.2 134.7 68 69 A T E -c 35 0A 61 -2,-0.3 2,-0.4 -34,-0.2 -32,-0.1 -0.860 20.4-146.3-129.7 161.8 121.0 76.0 133.2 69 70 A S - 0 0 17 -34,-0.9 -32,-0.5 -2,-0.3 4,-0.1 -0.998 20.0-151.8-140.9 149.9 117.6 76.9 132.0 70 71 A Q S S+ 0 0 162 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.934 80.6 35.3 -73.3 -53.1 114.1 75.5 131.8 71 72 A G S S- 0 0 46 1,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.332 103.2 -34.4 -90.5-150.7 112.8 77.4 128.8 72 73 A L >> - 0 0 95 1,-0.1 4,-2.4 -36,-0.0 3,-0.8 -0.479 46.9-127.5 -70.3 146.4 114.0 78.9 125.5 73 74 A L H 3> S+ 0 0 29 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.918 110.1 59.4 -58.8 -41.7 117.5 80.2 125.1 74 75 A I H 3> S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.803 108.0 43.7 -60.0 -30.3 116.0 83.5 123.7 75 76 A D H <> S+ 0 0 54 -3,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.897 112.1 52.5 -82.9 -33.4 114.0 84.0 126.9 76 77 A Y H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.975 109.1 51.5 -63.7 -43.0 116.9 83.1 129.2 77 78 A A H ><>S+ 0 0 0 -4,-3.5 5,-2.2 1,-0.2 3,-0.6 0.944 109.5 48.5 -60.4 -49.0 119.0 85.6 127.2 78 79 A R H ><5S+ 0 0 131 -4,-1.5 3,-2.1 1,-0.2 -1,-0.2 0.944 109.0 54.5 -55.2 -45.3 116.4 88.4 127.8 79 80 A R H 3<5S+ 0 0 118 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.786 108.4 48.6 -57.3 -33.5 116.3 87.5 131.5 80 81 A K T <<5S- 0 0 43 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.424 111.6-122.1 -83.5 -7.3 120.0 88.0 131.8 81 82 A N T < 5 + 0 0 112 -3,-2.1 2,-0.3 -4,-0.4 -78,-0.2 0.842 58.9 157.7 66.7 31.8 119.8 91.3 130.0 82 83 A A < - 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