==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-JAN-11 3QFG . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR E.V.FILIPPOVA,A.HALAVATY,L.SHUVALOVA,G.MINASOV,I.DUBROVSKA,J . 288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17222.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 36.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 6 2.1 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 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 0 0 2 0 0 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 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 PARALLEL BRIDGES PER LADDER . 2 1 4 2 6 2 0 0 2 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 1 1 0 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 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 54 A N 0 0 171 0, 0.0 2,-0.1 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 -36.3 73.9 31.2 54.6 2 55 A X - 0 0 29 1,-0.1 121,-0.4 11,-0.0 2,-0.1 -0.317 360.0-119.6 -70.9 138.6 71.8 34.5 54.6 3 56 A D - 0 0 80 119,-0.1 11,-0.7 -2,-0.1 2,-0.3 -0.310 28.4-173.0 -85.6 154.3 72.2 37.1 57.4 4 57 A I E +A 13 0A 1 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -1.000 7.9 167.8-157.5 144.1 69.5 38.3 59.9 5 58 A K E -A 12 0A 112 7,-1.9 7,-2.4 -2,-0.3 2,-0.5 -0.907 31.1-124.5-148.4 160.8 69.0 41.0 62.6 6 59 A I E -A 11 0A 24 -2,-0.3 2,-0.8 5,-0.2 5,-0.3 -0.982 21.1-167.1-116.7 120.0 66.4 42.7 64.7 7 60 A K E > -A 10 0A 151 3,-4.1 3,-1.8 -2,-0.5 2,-1.0 -0.886 60.2 -65.8-106.5 100.9 66.4 46.5 64.4 8 61 A G T 3 S- 0 0 57 -2,-0.8 3,-0.0 1,-0.3 -2,-0.0 -0.458 124.5 -7.7 68.0 -96.6 64.3 47.8 67.3 9 62 A D T 3 S+ 0 0 77 -2,-1.0 11,-2.9 2,-0.0 2,-0.4 0.012 124.2 86.1-115.0 16.6 60.8 46.5 66.4 10 63 A T E < -AB 7 19A 24 -3,-1.8 -3,-4.1 9,-0.2 2,-0.3 -0.986 63.6-142.1-134.0 132.7 61.8 45.1 63.0 11 64 A I E -AB 6 18A 2 7,-3.1 7,-0.7 -2,-0.4 2,-0.4 -0.647 25.6-162.4 -80.5 142.1 63.3 41.9 61.6 12 65 A V E +AB 5 17A 28 -7,-2.4 -7,-1.9 -2,-0.3 2,-0.3 -0.987 20.9 145.7-136.6 128.7 65.8 42.4 58.8 13 66 A S E -A 4 0A 5 3,-2.4 3,-0.2 -2,-0.4 -9,-0.2 -0.959 58.2-102.5-144.6 166.5 67.1 40.1 56.1 14 67 A D S S+ 0 0 98 -11,-0.7 3,-0.1 -2,-0.3 -10,-0.1 0.840 124.4 42.2 -52.1 -36.1 68.3 40.2 52.4 15 68 A K S S- 0 0 57 1,-0.2 30,-2.6 30,-0.1 31,-0.8 0.677 125.8 -14.8 -89.2 -24.2 64.9 38.6 51.5 16 69 A F E - C 0 44A 4 28,-0.2 -3,-2.4 -3,-0.2 2,-0.4 -0.996 43.3-134.1-171.4 167.6 62.6 40.5 53.8 17 70 A E E -BC 12 43A 70 26,-1.6 26,-2.0 -2,-0.3 2,-0.4 -0.990 19.0-166.6-132.9 123.2 61.7 42.8 56.7 18 71 A A E -BC 11 42A 3 -7,-0.7 -7,-3.1 -2,-0.4 2,-0.6 -0.929 12.6-146.2-108.6 135.8 59.0 42.1 59.2 19 72 A K E -BC 10 41A 90 22,-1.2 22,-1.3 -2,-0.4 2,-1.2 -0.886 19.3-135.9 -93.3 122.3 57.7 44.8 61.5 20 73 A I E - C 0 40A 9 -11,-2.9 20,-0.2 -2,-0.6 19,-0.0 -0.662 15.7-156.0 -85.5 103.8 56.7 43.2 64.8 21 74 A K - 0 0 101 18,-1.4 18,-0.1 -2,-1.2 0, 0.0 -0.313 44.2 -76.3 -64.4 158.1 53.5 44.7 65.9 22 75 A E - 0 0 128 16,-0.1 17,-0.2 1,-0.1 -1,-0.2 -0.411 56.4-128.3 -61.7 124.8 53.0 44.4 69.6 23 76 A P + 0 0 3 0, 0.0 117,-0.4 0, 0.0 2,-0.3 -0.333 30.2 176.4 -80.8 166.6 52.0 40.8 70.6 24 77 A F E -D 37 0A 13 13,-1.5 13,-3.4 115,-0.1 2,-0.4 -0.956 28.1 -94.0-163.4 164.6 49.2 39.7 72.6 25 78 A I E -De 36 141A 13 115,-2.1 117,-3.0 -2,-0.3 2,-0.6 -0.728 17.0-153.8 -98.4 135.5 47.2 36.8 74.0 26 79 A I E -De 35 142A 0 9,-2.2 9,-2.3 -2,-0.4 2,-1.0 -0.950 13.1-154.2 -97.3 121.6 44.3 35.2 72.6 27 80 A N E -D 34 0A 25 115,-1.9 2,-1.5 -2,-0.6 117,-0.5 -0.845 4.0-155.0 -93.8 98.3 42.4 33.7 75.4 28 81 A E E > > -D 33 0A 1 5,-1.8 5,-1.3 -2,-1.0 3,-0.6 -0.601 12.8-172.6 -73.7 92.6 40.5 30.8 73.7 29 82 A K G > 5S+ 0 0 131 -2,-1.5 3,-0.9 115,-0.7 -1,-0.2 0.828 73.0 61.7 -65.1 -32.8 37.7 30.7 76.3 30 83 A D G 3 5S+ 0 0 95 114,-0.5 -1,-0.2 1,-0.2 115,-0.1 0.848 118.5 24.2 -62.2 -42.1 36.0 27.6 74.9 31 84 A E G < 5S- 0 0 74 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 -0.044 101.9-121.1-119.0 33.6 39.0 25.2 75.5 32 85 A K T < 5S+ 0 0 162 -3,-0.9 2,-0.3 -4,-0.2 -3,-0.2 0.786 70.2 126.5 33.6 53.9 40.8 27.1 78.3 33 86 A K E < -D 28 0A 104 -5,-1.3 -5,-1.8 78,-0.0 2,-0.3 -0.988 46.0-148.3-137.4 145.0 44.0 27.4 76.2 34 87 A K E -D 27 0A 103 -2,-0.3 76,-2.4 76,-0.3 2,-0.3 -0.876 8.8-167.4-119.8 147.0 45.9 30.6 75.5 35 88 A Y E -DF 26 109A 7 -9,-2.3 -9,-2.2 -2,-0.3 2,-0.5 -0.910 19.7-130.1-124.0 156.1 48.0 31.6 72.5 36 89 A I E -DF 25 108A 1 72,-2.8 72,-2.1 -2,-0.3 2,-0.6 -0.922 25.1-153.7-103.0 134.5 50.4 34.3 71.9 37 90 A A E -DF 24 107A 0 -13,-3.4 -13,-1.5 -2,-0.5 2,-0.7 -0.922 9.6-166.0-116.6 122.8 49.8 36.2 68.7 38 91 A F E - F 0 106A 2 68,-2.8 68,-2.5 -2,-0.6 2,-0.2 -0.888 8.2-164.3-105.6 103.0 52.4 38.1 66.7 39 92 A K E + F 0 105A 45 -2,-0.7 -18,-1.4 66,-0.2 2,-0.3 -0.564 18.7 177.8 -78.4 151.6 50.9 40.4 64.1 40 93 A X E -CF 20 104A 3 64,-2.5 64,-2.7 -20,-0.2 2,-0.6 -0.994 35.4-139.2-155.4 152.5 53.5 41.5 61.5 41 94 A E E -CF 19 103A 64 -22,-1.3 -22,-1.2 -2,-0.3 2,-0.4 -0.883 30.0-170.2-116.9 94.2 53.9 43.6 58.4 42 95 A I E -CF 18 102A 2 60,-2.0 60,-3.1 -2,-0.6 2,-0.5 -0.663 6.3-168.9 -86.7 134.5 56.2 41.6 56.1 43 96 A T E -CF 17 101A 31 -26,-2.0 -26,-1.6 -2,-0.4 58,-0.3 -0.989 18.7-133.6-127.8 120.3 57.5 43.3 53.1 44 97 A A E -C 16 0A 4 56,-1.8 -28,-0.2 -2,-0.5 -29,-0.1 -0.519 17.9-173.8 -76.1 142.9 59.2 41.0 50.5 45 98 A K + 0 0 83 -30,-2.6 2,-0.2 -2,-0.2 -29,-0.2 0.460 68.4 33.7-115.0 -10.8 62.5 42.2 49.1 46 99 A K S S- 0 0 109 -31,-0.8 2,-0.6 50,-0.2 50,-0.1 -0.752 87.0-101.9-125.6 178.3 63.1 39.5 46.4 47 100 A D + 0 0 128 -2,-0.2 2,-0.3 50,-0.1 50,-0.1 -0.956 62.2 143.5-103.1 115.2 60.9 37.4 44.1 48 101 A D > - 0 0 42 -2,-0.6 3,-2.9 48,-0.3 48,-0.3 -0.870 48.3-148.5-163.7 113.5 60.8 34.0 45.8 49 102 A K T 3 S+ 0 0 91 1,-0.3 -1,-0.1 -2,-0.3 47,-0.0 0.797 100.3 64.5 -63.4 -29.9 58.0 31.4 46.1 50 103 A D T 3 S+ 0 0 98 1,-0.2 2,-2.1 -3,-0.1 -1,-0.3 0.642 78.1 97.5 -64.9 -11.0 59.3 30.4 49.4 51 104 A L < + 0 0 6 -3,-2.9 45,-1.6 45,-0.1 -1,-0.2 -0.478 47.1 125.1 -87.6 75.7 58.5 33.8 50.7 52 105 A N >> - 0 0 16 -2,-2.1 4,-1.1 43,-0.2 3,-0.5 -0.937 69.9-114.9-119.0 154.4 55.2 33.3 52.3 53 106 A P H 3> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.797 109.7 55.5 -57.4 -39.4 54.7 34.2 55.9 54 107 A S H 3> S+ 0 0 32 38,-2.5 4,-2.2 1,-0.2 39,-0.1 0.897 111.2 43.5 -61.1 -42.0 54.1 30.8 57.2 55 108 A S H <> S+ 0 0 23 -3,-0.5 4,-1.8 37,-0.3 -1,-0.2 0.578 109.7 57.9 -89.3 -10.9 57.3 29.4 55.9 56 109 A I H X S+ 0 0 5 -4,-1.1 4,-2.9 2,-0.2 5,-0.3 0.920 109.2 43.4 -73.2 -51.4 59.2 32.5 57.0 57 110 A S H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 118.2 47.0 -58.5 -45.0 58.2 32.0 60.6 58 111 A H H < S+ 0 0 136 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.975 117.1 42.8 -58.4 -55.1 58.9 28.4 60.2 59 112 A D H < S+ 0 0 31 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.771 131.7 15.2 -66.8 -29.9 62.3 29.0 58.5 60 113 A Y H < S+ 0 0 8 -4,-2.9 61,-1.8 1,-0.1 2,-0.5 0.433 104.7 76.1-131.1 0.9 63.6 31.8 60.7 61 114 A I E < -H 120 0B 11 -4,-2.1 2,-0.5 -5,-0.3 59,-0.2 -0.965 39.4-178.6-132.3 129.6 61.8 32.3 64.0 62 115 A N E -H 119 0B 46 57,-1.4 57,-3.3 -2,-0.5 2,-0.4 -0.979 12.5-157.6-116.3 128.9 61.7 30.5 67.2 63 116 A I E +H 118 0B 4 -2,-0.5 11,-2.5 11,-0.4 2,-0.3 -0.903 17.0 174.5 -98.1 137.8 59.5 31.6 70.1 64 117 A T E -HI 117 73B 21 53,-2.3 53,-2.9 -2,-0.4 2,-0.3 -0.898 16.4-152.4-133.0 162.8 60.4 30.6 73.7 65 118 A Q E -HI 116 72B 0 7,-2.2 7,-2.4 -2,-0.3 51,-0.2 -0.994 22.9-116.6-142.0 130.3 58.9 31.4 77.1 66 119 A D E + I 0 71B 65 49,-2.5 48,-0.4 -2,-0.3 2,-0.3 -0.267 36.1 176.6 -71.5 147.0 60.7 31.5 80.4 67 120 A D - 0 0 80 3,-1.6 45,-0.0 47,-0.1 -1,-0.0 -0.918 44.8 -87.3-147.5 172.2 59.8 29.0 83.2 68 121 A K S S+ 0 0 195 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.859 118.8 0.2 -56.0 -46.1 60.9 28.0 86.7 69 122 A N S S+ 0 0 153 -3,-0.0 2,-0.2 0, 0.0 -1,-0.2 0.558 130.2 37.6-115.7 -13.3 63.5 25.5 85.7 70 123 A T S S- 0 0 69 -5,-0.1 -3,-1.6 2,-0.0 2,-0.5 -0.742 70.5-121.1-130.5 171.1 63.5 25.5 81.9 71 124 A V E -I 66 0B 94 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.959 41.8-136.3-119.8 113.5 63.1 27.8 78.9 72 125 A N E -I 65 0B 14 -7,-2.4 -7,-2.2 -2,-0.5 2,-0.2 -0.554 5.0-140.0 -92.6 125.7 60.2 26.5 77.0 73 126 A K E -I 64 0B 164 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.522 28.0-135.5 -69.2 131.7 60.0 26.1 73.2 74 127 A L - 0 0 11 -11,-2.5 -11,-0.4 -2,-0.2 36,-0.1 -0.830 12.0-133.8-101.1 132.2 56.5 27.2 72.1 75 128 A R - 0 0 168 -2,-0.5 34,-2.2 34,-0.5 2,-0.3 -0.227 28.8 -93.6 -74.6 164.7 54.4 25.3 69.6 76 129 A D B -G 108 0A 69 32,-0.2 32,-0.3 1,-0.1 2,-0.2 -0.600 43.7-140.2 -78.1 137.0 52.5 26.6 66.6 77 130 A G - 0 0 10 30,-3.4 2,-0.4 -2,-0.3 30,-0.3 -0.625 13.7-163.0 -97.6 155.7 49.0 27.3 67.3 78 131 A Y - 0 0 175 -2,-0.2 2,-0.3 30,-0.0 3,-0.0 -0.994 13.6-141.0-135.7 136.1 45.9 26.8 65.3 79 132 A L - 0 0 32 -2,-0.4 28,-0.0 1,-0.1 3,-0.0 -0.759 17.2-126.9 -97.3 143.0 42.5 28.5 65.9 80 133 A L S S- 0 0 124 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.909 91.8 -9.9 -53.5 -53.5 39.2 26.8 65.6 81 134 A S - 0 0 62 -3,-0.0 -2,-0.0 1,-0.0 0, 0.0 -0.790 58.9-155.2-130.6-175.1 37.9 29.5 63.2 82 135 A D > + 0 0 81 -2,-0.3 4,-1.0 2,-0.1 7,-0.2 0.063 50.1 124.1-158.0 38.2 39.2 32.8 62.2 83 136 A K T >4 S+ 0 0 188 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.956 82.7 61.2 -56.8 -40.4 36.6 35.1 61.1 84 137 A K T 34 S+ 0 0 114 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.871 116.5 22.0 -55.7 -52.4 38.1 37.3 63.8 85 138 A Y T >> S+ 0 0 9 1,-0.2 3,-3.1 2,-0.1 4,-1.0 0.308 81.7 120.4-105.1 13.7 41.7 37.7 62.5 86 139 A K H < S+ 0 0 29 -4,-1.0 3,-2.9 -3,-0.4 4,-0.3 0.703 84.1 89.1-113.0 -26.2 45.9 35.5 58.5 90 143 A E T 3< S+ 0 0 81 -4,-2.0 3,-0.2 1,-0.3 -3,-0.1 0.665 97.1 40.9 -50.9 -21.2 44.4 35.2 55.0 91 144 A H T > S+ 0 0 22 12,-0.4 3,-1.8 -5,-0.2 -1,-0.3 0.416 77.2 110.7-109.6 13.0 47.7 35.6 53.4 92 145 A N T < S+ 0 0 21 -3,-2.9 -38,-2.5 1,-0.3 -37,-0.3 0.693 89.5 36.5 -61.3 -18.7 49.8 33.5 55.7 93 146 A Q T 3 S+ 0 0 107 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.464 99.6 92.1-104.9 -12.2 50.3 30.9 52.9 94 147 A D S < S- 0 0 5 -3,-1.8 123,-0.2 1,-0.1 -40,-0.1 -0.630 77.3-108.7 -96.6 152.2 50.6 33.1 49.9 95 148 A Q E -K 216 0C 32 121,-1.1 121,-2.2 -2,-0.2 2,-0.5 -0.395 27.7-129.2 -73.7 153.2 53.7 34.5 48.4 96 149 A I E -K 215 0C 3 -45,-1.6 -48,-0.3 -48,-0.3 119,-0.2 -0.920 24.4-115.6-109.4 127.3 54.6 38.3 48.7 97 150 A K > - 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