==== 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 UNKNOWN FUNCTION 02-SEP-09 3IWH . COMPND 2 MOLECULE: RHODANESE-LIKE DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR Y.KIM,M.CHRUSZCZ,W.MINOR,A.EDWARDS,W.F.ANDERSON,A.JOACHIMIAK . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6207.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 67 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 2.0 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 . 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 . 7 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 19.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 141 0, 0.0 2,-0.2 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 132.7 1.7 2.7 11.7 2 2 A K + 0 0 103 81,-0.4 83,-2.6 71,-0.0 2,-0.3 -0.496 360.0 178.9 -70.4 144.7 2.4 4.0 8.3 3 3 A S E -a 85 0A 53 81,-0.3 2,-0.3 -2,-0.2 83,-0.2 -0.973 16.9-167.9-148.4 149.0 2.0 1.3 5.7 4 4 A I E -a 86 0A 13 81,-2.4 83,-2.8 -2,-0.3 2,-0.1 -0.994 22.5-125.1-141.8 140.9 2.3 0.9 1.9 5 5 A T > - 0 0 39 -2,-0.3 4,-2.1 81,-0.2 5,-0.2 -0.433 29.6-114.4 -77.5 161.6 1.2 -1.9 -0.5 6 6 A T H > S+ 0 0 7 81,-0.4 4,-2.9 1,-0.2 5,-0.2 0.863 117.2 55.8 -65.7 -33.5 3.8 -3.4 -2.8 7 7 A D H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 108.7 46.6 -65.4 -41.8 1.9 -2.0 -5.8 8 8 A E H > S+ 0 0 99 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.851 112.7 49.7 -68.3 -38.9 2.0 1.5 -4.4 9 9 A L H >< S+ 0 0 1 -4,-2.1 3,-1.0 2,-0.2 4,-0.4 0.919 109.1 52.4 -64.7 -46.1 5.7 1.2 -3.6 10 10 A K H >< S+ 0 0 70 -4,-2.9 3,-2.2 1,-0.2 4,-0.4 0.919 101.9 61.4 -53.5 -39.3 6.3 -0.1 -7.2 11 11 A N H >< S+ 0 0 98 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.819 92.2 65.5 -59.5 -26.9 4.5 3.0 -8.5 12 12 A K G X< S+ 0 0 47 -3,-1.0 3,-1.4 -4,-0.8 -1,-0.3 0.634 82.3 75.3 -76.2 -10.6 7.1 5.1 -6.8 13 13 A L G < S+ 0 0 113 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.752 91.2 59.1 -64.8 -21.1 9.7 3.7 -9.3 14 14 A L G < S+ 0 0 157 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.439 92.5 96.6 -82.1 -2.8 7.9 6.0 -11.8 15 15 A E S < S- 0 0 79 -3,-1.4 4,-0.1 2,-0.2 -3,-0.0 -0.496 78.2-123.4 -95.2 161.7 8.8 9.1 -9.6 16 16 A S S S+ 0 0 129 -2,-0.2 -1,-0.1 2,-0.1 -4,-0.0 0.974 93.0 63.4 -65.0 -58.5 11.6 11.6 -9.8 17 17 A K S S- 0 0 138 1,-0.1 -2,-0.2 0, 0.0 2,-0.1 -0.519 90.5-117.9 -76.1 136.3 13.0 11.2 -6.3 18 18 A P - 0 0 116 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.377 28.4-126.1 -71.2 145.1 14.5 7.7 -5.6 19 19 A V - 0 0 33 -4,-0.1 2,-0.8 -7,-0.1 40,-0.1 -0.720 12.0-125.5 -96.7 147.0 12.8 5.9 -2.7 20 20 A Q E -b 59 0A 37 38,-0.6 40,-3.0 -2,-0.3 2,-0.4 -0.829 31.2-179.0 -92.1 111.4 14.7 4.5 0.2 21 21 A I E -b 60 0A 10 -2,-0.8 18,-2.9 16,-0.3 2,-0.5 -0.954 8.6-165.3-112.5 130.8 14.0 0.7 0.6 22 22 A V E -bc 61 39A 0 38,-2.9 40,-3.0 -2,-0.4 2,-0.6 -0.969 6.2-156.7-119.3 120.6 15.5 -1.3 3.5 23 23 A D E -bc 62 40A 1 16,-2.7 18,-2.1 -2,-0.5 40,-0.2 -0.855 10.7-178.5 -96.9 120.0 15.4 -5.1 3.3 24 24 A V + 0 0 1 38,-2.6 19,-2.9 -2,-0.6 20,-0.2 0.201 39.7 120.2-109.0 12.5 15.7 -6.5 6.9 25 25 A R S S- 0 0 22 37,-0.3 -2,-0.0 17,-0.2 37,-0.0 -0.233 73.8 -85.8 -65.6 164.5 15.6 -10.2 5.9 26 26 A T >> - 0 0 58 16,-0.1 4,-2.5 1,-0.1 3,-0.5 -0.273 37.9-107.3 -70.3 164.7 18.6 -12.4 6.9 27 27 A D H 3> S+ 0 0 110 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.832 120.2 59.1 -60.7 -36.0 21.6 -12.7 4.6 28 28 A E H 34 S+ 0 0 165 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.861 110.6 41.2 -60.8 -39.1 20.5 -16.2 3.6 29 29 A E H X4 S+ 0 0 52 -3,-0.5 3,-1.6 1,-0.2 -2,-0.2 0.923 113.3 49.5 -75.2 -46.5 17.2 -14.8 2.3 30 30 A T H >< S+ 0 0 8 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.742 98.9 71.0 -68.2 -19.0 18.5 -11.7 0.6 31 31 A A T 3< S+ 0 0 66 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.749 90.1 60.0 -67.3 -26.2 21.1 -13.8 -1.2 32 32 A X T < S- 0 0 164 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.402 131.1 -58.2 -82.0 0.5 18.3 -15.4 -3.3 33 33 A G < - 0 0 1 -3,-1.7 -1,-0.3 -4,-0.1 2,-0.3 -0.192 54.1-162.2 129.5 137.9 17.5 -11.8 -4.7 34 34 A Y B -E 99 0B 10 65,-2.2 65,-3.5 -3,-0.1 3,-0.1 -0.915 41.0 -73.6-141.3 170.3 16.5 -8.4 -3.3 35 35 A I > - 0 0 3 -2,-0.3 3,-2.5 63,-0.2 63,-0.1 -0.466 62.8 -98.3 -70.6 130.1 14.9 -5.3 -4.7 36 36 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 62,-0.0 -0.198 106.6 8.7 -52.2 131.2 17.5 -3.3 -6.8 37 37 A N T 3 S+ 0 0 152 1,-0.3 -16,-0.3 -3,-0.1 -2,-0.1 0.414 90.3 144.2 80.1 -1.2 19.1 -0.6 -4.8 38 38 A A < - 0 0 13 -3,-2.5 2,-0.5 -18,-0.1 -1,-0.3 -0.367 55.5-117.6 -63.4 146.2 17.6 -1.7 -1.4 39 39 A K E -c 22 0A 68 -18,-2.9 -16,-2.7 2,-0.1 2,-0.8 -0.778 26.4-139.9 -77.8 131.6 19.9 -1.2 1.6 40 40 A L E +c 23 0A 50 -2,-0.5 -16,-0.2 -18,-0.2 -18,-0.1 -0.814 39.6 151.4 -98.6 106.1 20.5 -4.7 3.1 41 41 A I - 0 0 10 -18,-2.1 5,-0.1 -2,-0.8 -2,-0.1 -0.855 38.4-138.7-137.1 94.0 20.3 -4.5 6.9 42 42 A P >> - 0 0 16 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.249 24.4-114.7 -57.5 142.5 19.2 -7.7 8.6 43 43 A X G >4 S+ 0 0 40 -19,-2.9 3,-2.2 1,-0.3 -18,-0.1 0.870 112.9 55.3 -45.7 -52.8 16.8 -7.0 11.4 44 44 A D G 34 S+ 0 0 135 1,-0.3 -1,-0.3 -20,-0.2 4,-0.1 0.777 110.4 48.2 -58.3 -23.2 19.1 -8.3 14.2 45 45 A T G X4 S+ 0 0 42 -3,-1.8 3,-1.5 1,-0.2 -1,-0.3 0.478 82.9 97.7 -93.8 -3.4 21.8 -5.9 13.0 46 46 A I G X< S+ 0 0 4 -3,-2.2 3,-2.4 -4,-0.6 -1,-0.2 0.896 76.7 56.6 -57.7 -44.4 19.5 -2.8 12.8 47 47 A P G 3 S+ 0 0 67 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.714 105.8 54.6 -63.7 -14.4 20.5 -1.3 16.3 48 48 A D G < S+ 0 0 137 -3,-1.5 -2,-0.2 1,-0.2 3,-0.1 0.333 107.8 50.9 -91.6 3.6 24.1 -1.3 15.1 49 49 A N X + 0 0 56 -3,-2.4 3,-2.1 -4,-0.2 4,-0.2 -0.018 59.2 127.4-135.2 31.4 23.3 0.7 12.0 50 50 A L G > S+ 0 0 52 -3,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.848 72.3 66.4 -56.1 -32.8 21.3 3.7 13.2 51 51 A N G 3 S+ 0 0 168 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.464 85.2 71.1 -75.4 3.9 23.8 5.8 11.2 52 52 A S G < S+ 0 0 45 -3,-2.1 2,-0.4 2,-0.0 -1,-0.3 0.553 95.3 64.4 -83.3 -10.9 22.5 4.4 7.9 53 53 A F < - 0 0 15 -3,-1.9 2,-0.3 -4,-0.2 6,-0.0 -0.879 68.2-158.8-112.8 146.0 19.3 6.3 8.4 54 54 A N > - 0 0 73 -2,-0.4 3,-0.8 28,-0.1 28,-0.3 -0.874 26.4-120.9-121.3 165.6 18.7 10.1 8.5 55 55 A K T 3 S+ 0 0 143 -2,-0.3 27,-0.1 1,-0.2 -1,-0.0 0.497 105.0 58.1 -82.1 -2.4 16.0 12.2 9.9 56 56 A N T 3 S+ 0 0 159 25,-0.0 -1,-0.2 2,-0.0 2,-0.2 0.609 94.6 73.5 -96.8 -17.4 15.0 13.8 6.6 57 57 A E S < S- 0 0 73 -3,-0.8 25,-0.6 25,-0.0 2,-0.4 -0.602 71.8-129.7-102.7 158.2 14.1 10.7 4.6 58 58 A I E - d 0 82A 62 -2,-0.2 -38,-0.6 23,-0.1 2,-0.5 -0.891 25.2-154.2 -97.6 136.1 11.2 8.2 4.6 59 59 A Y E -bd 20 83A 1 23,-1.5 25,-2.4 -2,-0.4 2,-0.6 -0.955 5.2-149.7-117.4 128.4 12.4 4.6 4.7 60 60 A Y E -bd 21 84A 21 -40,-3.0 -38,-2.9 -2,-0.5 2,-0.5 -0.845 17.7-151.9 -98.6 119.5 10.2 1.7 3.3 61 61 A I E -bd 22 85A 0 23,-3.0 25,-2.4 -2,-0.6 2,-0.4 -0.792 15.5-177.7-104.5 126.5 10.9 -1.4 5.3 62 62 A V E +b 23 0A 0 -40,-3.0 -38,-2.6 -2,-0.5 -37,-0.3 -0.941 9.8 160.8-126.7 140.0 10.5 -4.8 3.7 63 63 A C - 0 0 2 -2,-0.4 27,-2.7 23,-0.3 28,-0.2 -0.591 58.7 -73.2-133.7-161.6 10.9 -8.4 5.0 64 64 A A S S- 0 0 35 25,-0.2 27,-2.1 -2,-0.2 28,-0.2 0.890 122.5 -1.8 -67.1 -38.6 9.6 -11.8 3.8 65 65 A G S S- 0 0 41 24,-0.2 23,-0.4 25,-0.2 24,-0.2 0.358 102.7 -94.7-143.1 0.9 6.0 -11.3 4.8 66 66 A G S S+ 0 0 13 22,-0.2 4,-0.2 21,-0.2 23,-0.1 0.576 100.3 96.0 93.2 12.6 5.6 -7.9 6.4 67 67 A V S >> S+ 0 0 110 2,-0.1 4,-1.1 3,-0.1 3,-0.8 0.888 84.4 40.1 -96.4 -62.2 5.9 -9.1 10.0 68 68 A R H 3> S+ 0 0 62 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.861 112.6 60.7 -50.5 -38.0 9.6 -8.6 10.9 69 69 A S H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.823 97.2 57.7 -66.6 -32.6 9.4 -5.3 9.1 70 70 A A H <> S+ 0 0 26 -3,-0.8 4,-1.9 -4,-0.2 -1,-0.2 0.880 105.3 49.8 -65.1 -40.2 6.6 -3.9 11.4 71 71 A K H X S+ 0 0 139 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.2 0.888 109.7 52.0 -65.8 -39.1 8.8 -4.4 14.4 72 72 A V H X S+ 0 0 5 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.877 105.8 54.9 -63.0 -38.9 11.6 -2.5 12.6 73 73 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.939 109.5 47.4 -60.2 -43.9 9.2 0.4 11.8 74 74 A E H X S+ 0 0 137 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.928 111.8 49.9 -63.5 -42.7 8.4 0.7 15.5 75 75 A Y H < S+ 0 0 73 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.906 112.5 47.1 -62.1 -43.4 12.1 0.6 16.5 76 76 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-1.0 0.886 109.7 52.6 -67.9 -39.7 13.0 3.3 13.9 77 77 A E H ><5S+ 0 0 83 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.879 104.4 55.9 -62.6 -39.6 10.1 5.5 15.0 78 78 A A T 3<5S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.623 109.4 49.8 -63.7 -14.5 11.3 5.3 18.6 79 79 A N T < 5S- 0 0 57 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.216 124.9-100.9-109.3 9.0 14.7 6.6 17.3 80 80 A G T < 5S+ 0 0 31 -3,-1.5 2,-0.5 1,-0.3 -3,-0.2 0.733 78.3 132.4 86.5 22.8 13.2 9.5 15.3 81 81 A I < - 0 0 7 -5,-2.4 2,-0.4 -8,-0.1 -1,-0.3 -0.926 58.1-124.8-118.1 128.2 13.3 8.0 11.8 82 82 A D E + d 0 58A 58 -25,-0.6 -23,-1.5 -2,-0.5 2,-0.3 -0.607 41.4 170.6 -68.3 123.5 10.4 8.0 9.4 83 83 A A E - d 0 59A 0 -2,-0.4 2,-0.4 -25,-0.2 -81,-0.4 -0.988 20.7-162.1-140.4 148.9 9.6 4.5 8.4 84 84 A V E - d 0 60A 7 -25,-2.4 -23,-3.0 -2,-0.3 2,-0.4 -0.997 21.5-127.1-134.5 129.6 6.8 2.8 6.5 85 85 A N E -ad 3 61A 15 -83,-2.6 -81,-2.4 -2,-0.4 2,-0.9 -0.654 17.6-135.8 -76.5 133.6 5.9 -0.9 6.6 86 86 A V E > -a 4 0A 0 -25,-2.4 3,-1.7 -2,-0.4 -23,-0.3 -0.812 29.1-127.0 -91.5 109.8 5.7 -2.5 3.1 87 87 A E T 3 S+ 0 0 85 -83,-2.8 -81,-0.4 -2,-0.9 -21,-0.2 -0.236 86.0 5.5 -59.4 135.5 2.5 -4.7 3.4 88 88 A G T >> S- 0 0 32 -23,-0.4 4,-2.1 4,-0.1 3,-0.6 0.365 95.4-146.2 74.3 -8.3 3.0 -8.3 2.5 89 89 A G H <> - 0 0 0 -3,-1.7 4,-2.0 1,-0.2 -25,-0.2 0.025 61.6 -19.8 49.1-145.7 6.7 -7.9 2.1 90 90 A X H 3> S+ 0 0 17 -27,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.806 133.5 66.5 -65.5 -27.6 8.6 -10.0 -0.5 91 91 A H H <4 S+ 0 0 166 -27,-2.1 -1,-0.2 -3,-0.6 -2,-0.2 0.971 110.4 36.3 -55.2 -52.6 5.7 -12.4 -0.7 92 92 A A H < S+ 0 0 47 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 115.3 54.7 -68.3 -37.7 3.6 -9.6 -2.1 93 93 A W H < S- 0 0 21 -4,-2.0 3,-0.3 1,-0.2 -2,-0.2 0.860 99.9-148.5 -64.6 -39.5 6.5 -8.1 -4.2 94 94 A G < - 0 0 26 -4,-2.8 -1,-0.2 1,-0.1 -2,-0.1 -0.385 23.2 -81.1 94.5-174.7 7.2 -11.4 -5.9 95 95 A D S S+ 0 0 133 -2,-0.1 3,-0.4 -4,-0.1 2,-0.4 0.083 88.0 107.1-117.6 23.6 10.5 -12.8 -7.3 96 96 A E S S+ 0 0 158 -3,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.822 77.9 16.0-107.0 142.3 10.7 -11.0 -10.6 97 97 A G S S+ 0 0 66 -2,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.686 89.0 147.7 75.4 21.1 13.1 -8.1 -11.4 98 98 A L - 0 0 46 -3,-0.4 2,-0.3 -63,-0.1 -1,-0.2 -0.490 41.6-129.3 -90.3 160.9 15.3 -8.8 -8.4 99 99 A E B -E 34 0B 75 -65,-3.5 -65,-2.2 -2,-0.1 2,-0.4 -0.815 17.1-173.7-105.6 146.7 19.0 -8.3 -8.1 100 100 A I - 0 0 116 -2,-0.3 2,-0.6 -67,-0.2 -69,-0.1 -0.994 30.6-118.8-132.5 129.8 21.7 -10.8 -6.9 101 101 A K 0 0 154 -2,-0.4 -68,-0.0 -70,-0.0 -2,-0.0 -0.556 360.0 360.0 -84.8 120.1 25.2 -9.6 -6.4 102 102 A S 0 0 174 -2,-0.6 -1,-0.0 0, 0.0 0, 0.0 0.045 360.0 360.0 -58.4 360.0 28.1 -11.1 -8.4