==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-MAR-09 3GL5 . COMPND 2 MOLECULE: PUTATIVE DSBA OXIDOREDUCTASE SCO1869; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR A3(2); . AUTHOR C.CHANG,X.XU,H.CUI,A.SAVCHENKO,A.M.EDWARDS,A.JOACHIMIAK,MIDW . 234 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 6.8 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 . 1 0.4 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-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 . 9 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.0 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 1 1 1 1 0 3 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 0 A H 0 0 86 0, 0.0 2,-0.3 0, 0.0 34,-0.2 0.000 360.0 360.0 360.0-152.7 45.8 -20.2 75.6 2 1 A X E -a 35 0A 11 32,-2.2 34,-2.2 2,-0.0 2,-0.4 -0.976 360.0-118.1-158.1 160.8 43.6 -18.1 73.3 3 2 A R E -a 36 0A 87 -2,-0.3 186,-3.2 32,-0.2 2,-0.5 -0.815 12.8-160.6-106.2 140.0 43.4 -14.7 71.6 4 3 A V E -aB 37 188A 0 32,-3.2 34,-2.3 -2,-0.4 2,-0.4 -0.975 11.7-162.6-115.1 113.2 40.8 -11.9 72.1 5 4 A E E -aB 38 187A 0 182,-2.4 182,-2.6 -2,-0.5 2,-0.6 -0.799 1.8-161.9 -96.6 136.2 40.6 -9.4 69.3 6 5 A I E -aB 39 186A 3 32,-2.5 34,-2.1 -2,-0.4 2,-0.4 -0.920 2.5-161.1-125.4 107.2 38.9 -6.0 70.0 7 6 A W E +aB 40 185A 0 178,-3.1 178,-1.6 -2,-0.6 2,-0.3 -0.708 29.2 147.5 -82.4 133.2 37.7 -3.8 67.1 8 7 A S E -a 41 0A 11 32,-1.7 34,-1.3 -2,-0.4 2,-0.3 -0.986 37.9-136.4-158.0 163.4 37.1 -0.2 68.1 9 8 A D - 0 0 4 -2,-0.3 3,-0.5 32,-0.2 6,-0.2 -0.894 22.9-129.3-116.7 151.5 37.2 3.5 66.9 10 9 A I S S+ 0 0 0 -2,-0.3 2,-0.9 1,-0.2 6,-0.1 0.816 107.4 60.3 -64.5 -34.2 38.6 6.4 68.9 11 10 A A S S+ 0 0 12 86,-0.1 -1,-0.2 4,-0.0 88,-0.0 -0.307 85.2 97.9 -87.1 46.7 35.3 8.4 68.2 12 11 A a >> - 0 0 7 -2,-0.9 4,-1.7 -3,-0.5 3,-1.0 -0.866 55.7-165.1-140.6 100.9 33.2 5.8 70.0 13 12 A P H 3> S+ 0 0 26 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.872 93.1 52.0 -57.7 -39.6 32.2 6.4 73.7 14 13 A W H 3> S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.649 103.7 57.5 -68.9 -22.9 31.2 2.7 74.2 15 14 A a H <> S+ 0 0 0 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.914 110.1 45.1 -67.4 -46.6 34.5 1.5 72.8 16 15 A Y H X S+ 0 0 19 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.910 119.9 39.4 -60.8 -49.0 36.2 3.6 75.6 17 16 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 3,-0.2 0.924 116.0 52.4 -67.7 -45.7 33.8 2.4 78.3 18 17 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.768 102.0 58.9 -63.9 -28.4 33.8 -1.2 76.9 19 18 A K H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.954 108.9 44.7 -64.1 -44.9 37.5 -1.5 76.9 20 19 A A H X S+ 0 0 13 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.887 112.3 52.3 -66.8 -39.1 37.6 -0.8 80.7 21 20 A R H X S+ 0 0 30 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.912 111.1 47.3 -63.3 -42.9 34.7 -3.2 81.3 22 21 A F H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.879 111.7 49.9 -62.9 -43.4 36.5 -6.0 79.4 23 22 A E H X S+ 0 0 68 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.918 109.0 51.8 -66.9 -40.8 39.8 -5.4 81.2 24 23 A K H X S+ 0 0 127 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.943 112.8 46.1 -58.3 -44.5 38.0 -5.5 84.5 25 24 A A H < S+ 0 0 1 -4,-2.2 4,-0.4 1,-0.2 3,-0.3 0.876 110.7 53.2 -64.8 -37.8 36.4 -8.9 83.4 26 25 A L H >< S+ 0 0 21 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.897 103.3 56.4 -67.5 -39.4 39.7 -10.2 82.2 27 26 A A H 3< S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.777 111.3 44.2 -64.9 -24.2 41.5 -9.4 85.5 28 27 A A T 3< S+ 0 0 77 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.452 89.3 110.6 -99.5 1.3 38.9 -11.6 87.3 29 28 A F X - 0 0 11 -3,-1.2 3,-1.5 -4,-0.4 4,-0.2 -0.624 69.6-135.1 -77.4 132.5 39.1 -14.4 84.7 30 29 A P T 3 S+ 0 0 100 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.674 103.6 40.6 -62.6 -19.9 40.8 -17.7 86.1 31 30 A H T > + 0 0 76 1,-0.1 3,-1.4 2,-0.1 4,-0.1 -0.060 69.9 127.3-120.3 37.8 42.8 -18.1 82.9 32 31 A R G X + 0 0 139 -3,-1.5 3,-1.5 1,-0.3 -1,-0.1 0.767 68.3 66.9 -59.0 -28.6 43.8 -14.5 82.2 33 32 A D G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.795 101.6 48.3 -64.7 -27.7 47.5 -15.7 82.0 34 33 A G G < S+ 0 0 16 -3,-1.4 -32,-2.2 -33,-0.1 2,-0.5 0.270 92.3 98.3 -94.4 12.6 46.6 -17.6 78.9 35 34 A V E < -a 2 0A 22 -3,-1.5 2,-0.5 -34,-0.2 -32,-0.2 -0.868 51.8-163.6-107.5 130.0 44.8 -14.7 77.1 36 35 A E E -a 3 0A 120 -34,-2.2 -32,-3.2 -2,-0.5 2,-0.5 -0.953 9.8-153.9-107.7 130.1 46.3 -12.5 74.4 37 36 A V E -a 4 0A 41 -2,-0.5 2,-0.5 -34,-0.2 -32,-0.2 -0.888 11.3-173.7-104.4 125.9 44.5 -9.2 73.6 38 37 A V E -a 5 0A 19 -34,-2.3 -32,-2.5 -2,-0.5 2,-0.3 -0.988 15.3-141.5-123.1 126.4 45.0 -7.7 70.2 39 38 A H E -a 6 0A 12 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.2 -0.716 19.0-166.0 -91.4 145.7 43.5 -4.3 69.2 40 39 A R E -a 7 0A 30 -34,-2.1 -32,-1.7 -2,-0.3 2,-0.2 -0.949 20.1-109.6-137.8 141.3 42.1 -3.8 65.8 41 40 A S E +a 8 0A 2 -2,-0.3 2,-0.3 126,-0.2 134,-0.2 -0.513 35.4 166.7 -76.7 141.6 41.1 -0.7 63.8 42 41 A F - 0 0 26 -34,-1.3 2,-0.6 -2,-0.2 -32,-0.2 -0.965 19.2-155.0-147.8 136.5 37.6 0.2 62.9 43 42 A E - 0 0 10 -2,-0.3 4,-0.1 1,-0.1 -34,-0.1 -0.947 7.0-164.4-112.4 122.1 36.3 3.5 61.6 44 43 A L S S+ 0 0 85 -2,-0.6 -1,-0.1 1,-0.3 54,-0.1 0.847 95.9 23.4 -65.0 -31.1 32.6 4.4 62.3 45 44 A D > + 0 0 47 52,-0.1 3,-1.4 1,-0.1 -1,-0.3 -0.637 68.1 163.5-136.7 76.0 32.9 7.1 59.5 46 45 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.728 76.0 57.9 -69.2 -17.3 35.7 6.2 57.1 47 46 A G T 3 S+ 0 0 71 -4,-0.1 51,-0.1 2,-0.1 -2,-0.0 0.513 79.5 118.1 -89.6 -4.3 34.4 8.6 54.4 48 47 A R < - 0 0 30 -3,-1.4 2,-0.2 1,-0.1 52,-0.1 -0.316 67.9-116.6 -68.1 144.5 34.6 11.6 56.7 49 48 A A > - 0 0 49 1,-0.1 3,-2.3 49,-0.1 49,-0.5 -0.571 16.3-124.5 -81.3 143.5 37.0 14.4 55.7 50 49 A K T 3 S+ 0 0 79 1,-0.3 48,-0.3 -2,-0.2 -1,-0.1 0.887 111.6 49.3 -55.7 -37.6 39.9 15.3 57.9 51 50 A D T 3 S+ 0 0 121 1,-0.1 2,-1.1 46,-0.1 -1,-0.3 0.358 85.4 99.9 -86.9 9.7 38.9 18.9 58.2 52 51 A D < + 0 0 72 -3,-2.3 2,-0.4 2,-0.0 46,-0.2 -0.710 45.8 158.2 -96.9 85.3 35.3 18.0 59.1 53 52 A V + 0 0 52 -2,-1.1 44,-0.2 44,-0.1 -3,-0.0 -0.929 12.9 177.4-108.7 132.6 35.2 18.4 62.9 54 53 A Q E -D 96 0B 57 42,-2.4 42,-1.9 -2,-0.4 2,-0.2 -0.934 37.2 -98.6-132.5 150.0 31.8 18.9 64.6 55 54 A P E > -D 95 0B 68 0, 0.0 4,-2.1 0, 0.0 40,-0.3 -0.543 32.9-131.4 -67.9 137.7 30.6 19.3 68.2 56 55 A V H > S+ 0 0 5 38,-2.6 4,-2.3 1,-0.2 5,-0.2 0.896 106.3 52.1 -53.8 -41.9 29.2 15.9 69.3 57 56 A L H > S+ 0 0 41 37,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.887 108.7 49.9 -72.4 -36.4 26.0 17.4 70.7 58 57 A T H >>S+ 0 0 63 2,-0.2 4,-3.2 1,-0.2 5,-0.5 0.886 109.6 53.5 -58.2 -46.6 25.3 19.2 67.3 59 58 A X H X>S+ 0 0 27 -4,-2.1 4,-1.6 3,-0.2 5,-0.6 0.898 110.4 46.4 -58.3 -44.9 25.9 15.9 65.5 60 59 A L H X5S+ 0 0 24 -4,-2.3 4,-1.1 3,-0.2 6,-0.8 0.952 120.0 37.4 -64.7 -48.9 23.3 14.1 67.7 61 60 A T H <5S+ 0 0 42 -4,-2.3 4,-0.4 4,-0.2 5,-0.4 0.927 128.7 32.5 -73.6 -41.3 20.6 16.8 67.4 62 61 A A H <5S+ 0 0 73 -4,-3.2 3,-0.3 -5,-0.2 -3,-0.2 0.945 126.7 36.0 -80.9 -52.8 21.2 17.7 63.8 63 62 A K H < - 0 0 34 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.327 24.0-122.3 -75.1 160.9 16.3 16.6 70.9 68 67 A Q H > S+ 0 0 117 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 114.2 55.6 -69.8 -39.4 19.0 18.6 72.6 69 68 A E H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 109.9 46.4 -50.9 -50.7 17.7 17.5 76.0 70 69 A Q H > S+ 0 0 114 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.840 109.4 54.1 -67.1 -37.1 18.1 13.9 74.9 71 70 A A H X S+ 0 0 1 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.958 109.4 47.5 -60.2 -51.6 21.5 14.4 73.6 72 71 A Q H X S+ 0 0 15 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.870 110.1 53.8 -58.1 -41.3 22.7 15.9 76.8 73 72 A A H X S+ 0 0 59 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.854 105.3 52.1 -63.4 -39.7 21.1 13.0 78.8 74 73 A G H X S+ 0 0 32 -4,-1.9 4,-2.4 -3,-0.2 -1,-0.2 0.942 112.3 47.2 -60.3 -44.8 22.9 10.3 76.8 75 74 A E H X S+ 0 0 12 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.877 110.5 50.9 -65.6 -42.0 26.2 12.2 77.5 76 75 A D H X S+ 0 0 73 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.926 111.7 48.9 -59.8 -44.8 25.4 12.5 81.2 77 76 A N H X S+ 0 0 72 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.924 110.5 49.5 -61.3 -43.1 24.7 8.8 81.3 78 77 A L H X S+ 0 0 11 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.882 109.2 53.8 -62.7 -38.9 27.9 8.0 79.4 79 78 A G H X S+ 0 0 13 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.900 108.9 48.7 -61.4 -41.2 29.7 10.2 82.0 80 79 A A H X S+ 0 0 61 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.918 113.5 45.3 -63.2 -43.5 28.3 8.2 84.8 81 80 A Q H X S+ 0 0 50 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.864 112.3 51.7 -74.2 -34.8 29.2 4.9 83.4 82 81 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.2 3,-1.6 0.952 108.9 51.4 -60.4 -49.3 32.7 6.1 82.5 83 82 A A H ><5S+ 0 0 68 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.910 103.9 58.2 -55.8 -41.3 33.2 7.3 86.1 84 83 A A H 3<5S+ 0 0 75 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.679 107.4 46.8 -64.8 -21.6 32.1 3.9 87.4 85 84 A E T <<5S- 0 0 42 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.295 123.4-103.6 -95.5 2.8 35.0 2.2 85.4 86 85 A G T < 5S+ 0 0 70 -3,-2.2 2,-0.4 -4,-0.3 -3,-0.2 0.634 79.1 133.9 81.7 17.4 37.5 4.8 86.6 87 86 A L < - 0 0 38 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.2 -0.841 55.3-128.3-102.3 136.4 37.6 6.7 83.4 88 87 A A + 0 0 58 -2,-0.4 2,-0.3 -3,-0.1 41,-0.1 -0.482 31.0 176.2 -72.3 147.9 37.4 10.4 82.9 89 88 A Y - 0 0 24 -2,-0.1 2,-0.4 39,-0.1 39,-0.2 -0.801 25.4-138.3-160.9 109.2 34.7 11.6 80.5 90 89 A R - 0 0 106 37,-3.1 4,-0.1 -2,-0.3 39,-0.1 -0.610 9.4-163.7 -72.1 124.1 33.7 15.2 79.6 91 90 A T + 0 0 46 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.359 69.2 55.5 -90.4 5.7 29.9 15.5 79.4 92 91 A R S S+ 0 0 124 -17,-0.1 -1,-0.0 1,-0.1 -2,-0.0 -0.998 104.3 4.8-143.0 142.2 30.1 18.8 77.5 93 92 A D S S+ 0 0 152 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 0.686 72.3 158.6 65.3 24.7 31.6 20.3 74.4 94 93 A R - 0 0 21 -4,-0.1 -38,-2.6 -39,-0.0 -37,-0.5 -0.421 25.8-149.0 -70.4 152.6 33.1 17.1 73.0 95 94 A D E -D 55 0B 31 -40,-0.3 2,-0.3 31,-0.3 38,-0.1 -0.697 4.8-150.5-119.3 175.8 33.9 17.1 69.3 96 95 A H E +D 54 0B 26 -42,-1.9 -42,-2.4 -2,-0.2 2,-0.2 -0.991 25.4 137.2-153.1 137.1 34.0 14.4 66.7 97 96 A G - 0 0 4 -2,-0.3 -44,-0.1 -44,-0.2 2,-0.1 -0.826 52.1 -38.0-160.1-166.8 35.9 13.9 63.4 98 97 A S - 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