==== 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 02-OCT-06 2IL5 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR J.OSIPIUK,P.QUARTEY,D.HOLZLE,A.JOACHIMIAK,MIDWEST CENTER FOR . 162 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 30.2 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 . 3 1.9 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 . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 40 24.7 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+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 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 1 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 5 A N > 0 0 126 0, 0.0 3,-1.7 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 112.0 11.0 62.7 0.6 2 6 A V T 3 + 0 0 149 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.690 360.0 59.3 -54.6 -10.9 7.7 64.4 -0.4 3 7 A E T 3 S+ 0 0 104 119,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.508 73.9 105.7-104.4 -10.1 8.3 62.9 -3.9 4 8 A N < - 0 0 25 -3,-1.7 2,-0.3 118,-0.1 117,-0.2 -0.586 53.2-162.4 -74.2 133.4 8.5 59.2 -3.3 5 9 A E E -A 120 0A 89 115,-0.8 115,-3.3 -2,-0.3 2,-0.3 -0.780 13.9-112.1-118.9 162.0 5.4 57.3 -4.4 6 10 A H E -A 119 0A 90 -2,-0.3 2,-0.4 113,-0.3 113,-0.2 -0.619 12.8-149.7 -91.0 143.0 3.9 53.9 -3.7 7 11 A V E -A 118 0A 9 111,-2.9 111,-2.6 -2,-0.3 2,-0.4 -0.933 17.3-154.5-101.1 148.5 3.5 50.9 -5.8 8 12 A E E -A 117 0A 103 -2,-0.4 2,-0.4 109,-0.2 109,-0.2 -0.979 6.2-161.9-123.1 132.6 0.6 48.7 -5.0 9 13 A V E -A 116 0A 0 107,-2.8 107,-2.3 -2,-0.4 2,-0.5 -0.934 5.5-172.0-114.5 130.2 0.4 45.0 -5.8 10 14 A E E +A 115 0A 163 -2,-0.4 2,-0.4 105,-0.2 105,-0.2 -0.985 8.6 176.5-126.0 119.0 -3.0 43.3 -5.8 11 15 A I E -A 114 0A 14 103,-2.8 103,-3.3 -2,-0.5 2,-0.5 -0.988 13.2-165.6-128.0 129.7 -3.2 39.5 -6.1 12 16 A E E -A 113 0A 110 -2,-0.4 2,-0.4 101,-0.2 101,-0.2 -0.969 11.1-178.8-110.1 125.9 -6.2 37.1 -6.0 13 17 A K E -A 112 0A 54 99,-2.9 99,-3.6 -2,-0.5 2,-0.5 -0.987 14.3-155.6-121.6 139.3 -5.6 33.4 -5.6 14 18 A L E +A 111 0A 95 -2,-0.4 2,-0.3 97,-0.2 97,-0.2 -0.958 21.0 177.1-110.1 118.8 -8.3 30.6 -5.5 15 19 A Y E -A 110 0A 16 95,-2.8 95,-1.2 -2,-0.5 94,-1.1 -0.870 38.1-136.6-119.0 156.2 -7.3 27.4 -3.7 16 20 A K S S+ 0 0 118 -2,-0.3 -1,-0.1 92,-0.2 91,-0.1 0.639 78.8 101.4 -76.8 -23.0 -9.1 24.2 -2.8 17 21 A F S S- 0 0 9 92,-0.1 93,-0.7 93,-0.1 -2,-0.2 -0.306 83.9-100.1 -61.9 149.5 -7.6 24.3 0.7 18 22 A S >> - 0 0 43 91,-0.2 4,-2.1 1,-0.1 3,-1.0 -0.320 31.0-113.1 -62.4 149.0 -9.6 25.5 3.7 19 23 A P H 3> S+ 0 0 10 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.897 120.5 58.2 -51.7 -43.2 -9.1 29.2 4.9 20 24 A E H 3> S+ 0 0 112 2,-0.2 4,-1.8 1,-0.2 60,-0.1 0.808 105.0 48.1 -49.7 -42.8 -7.6 27.7 8.0 21 25 A L H <> S+ 0 0 45 -3,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.894 116.4 42.8 -71.0 -41.4 -5.0 25.8 6.0 22 26 A V H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.899 113.9 51.3 -67.5 -41.8 -4.0 28.9 4.0 23 27 A Y H >< S+ 0 0 27 -4,-3.3 3,-1.2 1,-0.2 4,-0.5 0.906 105.7 56.6 -62.7 -44.1 -4.1 31.2 7.1 24 28 A E H >X S+ 0 0 78 -4,-1.8 4,-1.5 1,-0.2 3,-1.4 0.862 97.2 62.6 -52.5 -41.5 -1.8 28.7 8.9 25 29 A A H 3< S+ 0 0 0 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.802 108.2 44.2 -53.0 -30.8 0.8 29.1 6.1 26 30 A W T << S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.491 120.8 37.0 -91.5 -12.6 1.1 32.8 7.0 27 31 A T T <4 S+ 0 0 21 -3,-1.4 2,-0.6 -4,-0.5 -2,-0.2 0.342 94.2 86.4-134.9 0.8 1.2 32.4 10.8 28 32 A K >X - 0 0 74 -4,-1.5 4,-3.3 1,-0.1 3,-1.6 -0.950 62.7-148.2-112.6 118.6 3.2 29.3 11.5 29 33 A K H 3> S+ 0 0 78 -2,-0.6 4,-2.4 1,-0.3 5,-0.1 0.818 96.3 48.9 -43.1 -51.4 7.0 29.5 11.7 30 34 A D H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.2 -5,-0.1 0.594 117.4 43.9 -82.3 -4.8 7.9 26.1 10.4 31 35 A L H X4 S+ 0 0 29 -3,-1.6 3,-1.9 -7,-0.2 4,-0.4 0.814 112.6 49.9 -92.9 -49.7 5.6 26.7 7.4 32 36 A L H >X S+ 0 0 3 -4,-3.3 4,-2.6 1,-0.3 3,-1.5 0.830 101.2 65.7 -55.6 -34.5 6.7 30.3 6.8 33 37 A K T 3< S+ 0 0 68 -4,-2.4 -1,-0.3 1,-0.3 10,-0.2 0.695 100.2 53.1 -61.2 -19.0 10.3 29.1 6.9 34 38 A Q T <4 S+ 0 0 68 -3,-1.9 6,-0.5 5,-0.2 -1,-0.3 0.568 130.1 1.5 -93.4 -12.2 9.5 27.1 3.7 35 39 A W T <4 S+ 0 0 1 -3,-1.5 2,-1.1 -4,-0.4 118,-0.2 0.595 93.7 97.3-148.4 -28.7 8.0 29.9 1.6 36 40 A F S < S- 0 0 2 -4,-2.6 -1,-0.1 1,-0.2 3,-0.1 -0.682 117.7 -41.2 -89.4 97.8 7.9 33.5 3.0 37 41 A X S S+ 0 0 59 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.603 136.0 48.7 58.8 16.6 11.0 35.3 1.6 38 42 A T S S- 0 0 8 -6,-0.3 2,-0.3 5,-0.1 -1,-0.2 -0.890 70.9-139.1-158.2-176.7 12.9 32.1 2.2 39 43 A S > - 0 0 22 -2,-0.3 4,-2.4 -3,-0.1 -5,-0.2 -0.964 37.0 -95.2-150.7 168.9 12.9 28.3 1.7 40 44 A A T 4 S+ 0 0 67 -6,-0.5 -1,-0.1 -2,-0.3 -6,-0.1 0.881 122.9 39.1 -49.0 -45.3 13.6 25.1 3.6 41 45 A R T 4 S+ 0 0 237 1,-0.2 -1,-0.2 -7,-0.1 -7,-0.1 0.765 120.8 39.6 -82.7 -29.8 17.1 24.9 2.1 42 46 A T T 4 S+ 0 0 48 -3,-0.1 19,-3.0 -8,-0.1 -2,-0.2 0.616 85.1 114.7 -95.9 -13.9 18.2 28.5 2.1 43 47 A N E < +E 60 0B 23 -4,-2.4 17,-0.2 17,-0.2 3,-0.1 -0.381 32.1 171.8 -63.3 129.2 16.8 29.5 5.5 44 48 A K E - 0 0 114 15,-3.1 2,-0.3 1,-0.4 16,-0.2 0.827 68.5 -2.5 -99.6 -56.1 19.5 30.4 8.0 45 49 A E E -E 59 0B 85 14,-1.3 14,-3.2 2,-0.0 -1,-0.4 -0.995 57.0-178.1-135.6 144.4 17.3 31.7 10.9 46 50 A I E +E 58 0B 23 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.942 5.5 171.4-137.3 126.0 13.6 32.3 11.4 47 51 A E E +E 57 0B 109 10,-2.2 10,-3.4 -2,-0.3 2,-0.3 -0.989 7.7 176.1-120.5 134.3 12.1 33.8 14.5 48 52 A A E -E 56 0B 22 -2,-0.4 2,-0.8 8,-0.3 8,-0.3 -0.946 20.2-168.0-141.2 119.9 8.4 34.6 14.5 49 53 A D - 0 0 74 6,-2.8 2,-2.2 -2,-0.3 25,-0.3 -0.811 21.4-158.0-100.6 87.8 6.3 36.0 17.4 50 54 A V + 0 0 50 -2,-0.8 2,-0.3 -23,-0.1 6,-0.0 -0.424 51.7 93.3 -81.1 73.1 2.9 35.5 15.9 51 55 A K S > S- 0 0 120 -2,-2.2 3,-2.2 23,-0.1 23,-0.4 -0.921 89.8 -70.9-144.4 166.7 0.7 37.9 17.9 52 56 A E T 3 S+ 0 0 115 -2,-0.3 23,-0.2 1,-0.3 3,-0.1 -0.396 124.8 15.2 -62.2 129.6 -0.4 41.5 17.2 53 57 A G T 3 S+ 0 0 58 21,-3.1 -1,-0.3 1,-0.3 2,-0.2 0.425 99.7 135.8 81.5 -2.5 2.7 43.8 17.7 54 58 A G < - 0 0 1 -3,-2.2 20,-2.4 20,-0.3 -1,-0.3 -0.553 49.6-126.4 -81.2 146.5 4.9 40.7 17.6 55 59 A K E - F 0 73B 82 -2,-0.2 -6,-2.8 18,-0.2 2,-0.4 -0.560 16.7-164.8 -90.5 148.9 8.2 40.7 15.6 56 60 A Y E -EF 48 72B 4 16,-2.5 16,-1.8 -8,-0.3 2,-0.4 -0.982 2.3-169.3-126.5 148.8 9.4 38.3 13.0 57 61 A R E -EF 47 71B 61 -10,-3.4 -10,-2.2 -2,-0.4 2,-0.5 -0.935 2.9-175.9-139.8 114.8 13.0 37.9 11.7 58 62 A I E -EF 46 70B 2 12,-3.8 12,-3.3 -2,-0.4 2,-0.5 -0.945 5.9-168.5-114.4 126.1 14.0 35.8 8.6 59 63 A V E -EF 45 69B 6 -14,-3.2 -15,-3.1 -2,-0.5 -14,-1.3 -0.976 13.4-168.9-112.8 117.8 17.6 35.4 7.6 60 64 A D E -EF 43 68B 13 8,-3.1 8,-2.6 -2,-0.5 2,-0.5 -0.945 20.0-124.8-118.6 127.9 17.9 33.8 4.1 61 65 A Q E + F 0 67B 62 -19,-3.0 6,-0.2 -2,-0.5 2,-0.2 -0.572 32.0 178.6 -70.5 118.0 21.1 32.4 2.5 62 66 A Q > - 0 0 85 4,-2.9 3,-0.5 -2,-0.5 6,-0.0 -0.517 40.0 -61.1-105.6-177.0 22.0 34.0 -0.9 63 67 A R G > S+ 0 0 191 1,-0.2 3,-1.8 -2,-0.2 -1,-0.2 -0.092 110.9 18.9 -66.0 161.7 25.0 33.2 -3.2 64 68 A N G 3 S- 0 0 153 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.794 131.4 -58.6 47.4 42.1 28.7 33.8 -2.2 65 69 A G G < S+ 0 0 65 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.242 99.6 139.7 80.9 -17.5 28.1 33.9 1.6 66 70 A K < - 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C 0 97A 0 -13,-2.4 2,-0.5 -2,-0.3 11,-0.2 -0.800 1.5-153.0-101.4 150.2 4.9 44.9 7.7 87 91 A I E S+ C 0 96A 20 9,-2.5 9,-3.4 -2,-0.3 -15,-0.2 -0.996 82.3 36.1-110.3 110.2 8.0 44.2 5.6 88 92 A G S S- 0 0 18 -17,-2.8 -15,-0.4 -2,-0.5 7,-0.1 -0.115 97.2 -89.4 109.4 144.7 10.4 46.5 7.3 89 93 A X 0 0 86 4,-0.2 4,-0.1 -17,-0.2 -17,-0.1 -0.787 360.0 360.0 -99.7 114.2 10.8 47.4 10.9 90 94 A P 0 0 106 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.658 360.0 360.0 -38.3 360.0 8.8 50.5 12.1 91 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 92 97 A S 0 0 171 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.1 17.0 54.7 6.7 93 98 A E - 0 0 172 -4,-0.1 -4,-0.2 0, 0.0 0, 0.0 -0.966 360.0-126.5-151.0 121.5 14.3 52.6 5.1 94 99 A T - 0 0 64 -2,-0.4 2,-0.6 1,-0.1 -5,-0.1 0.106 28.7-105.8 -60.6 163.8 10.4 52.5 5.1 95 100 A Q - 0 0 68 -7,-0.1 -7,-0.3 -5,-0.1 2,-0.2 -0.857 24.7-143.2 -91.9 126.7 8.0 49.6 5.9 96 101 A D E -C 87 0A 24 -9,-3.4 -9,-2.5 -2,-0.6 2,-0.5 -0.551 20.5-132.4 -73.0 153.8 6.2 47.9 3.2 97 102 A V E -CD 86 117A 13 20,-2.3 20,-2.2 -11,-0.2 2,-0.4 -0.933 18.6-170.5-116.0 129.8 2.7 46.8 4.0 98 103 A I E +CD 85 116A 0 -13,-3.0 -13,-2.3 -2,-0.5 2,-0.4 -0.989 6.3 176.7-112.6 128.6 1.1 43.5 3.4 99 104 A E E +CD 84 115A 51 16,-2.8 16,-3.0 -2,-0.4 2,-0.4 -0.981 8.7 176.8-128.4 119.4 -2.7 43.1 3.9 100 105 A V E -CD 83 114A 0 -17,-3.1 -17,-2.4 -2,-0.4 2,-0.4 -0.985 9.6-165.5-130.9 123.2 -4.1 39.6 3.1 101 106 A E E -CD 82 113A 69 12,-3.0 12,-3.0 -2,-0.4 2,-0.5 -0.895 6.1-153.8-111.6 140.6 -7.6 38.4 3.4 102 107 A F E - 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