==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-00 1EY0 . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.CHEN,Z.LU,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 25.0 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 . 3 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.9 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 6 A K 0 0 246 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.8 63.5 22.4 -8.2 2 7 A L - 0 0 51 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.274 360.0-163.2 -57.4 151.7 60.8 24.8 -7.0 3 8 A H - 0 0 113 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.991 15.0-121.7-141.3 155.5 62.3 27.9 -5.4 4 9 A K E -A 70 0A 92 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.656 23.1-167.7 -90.5 143.4 60.9 30.6 -3.1 5 10 A E E -A 69 0A 26 64,-2.5 64,-3.0 -2,-0.3 2,-0.1 -0.979 26.3-106.1-127.8 150.4 61.0 34.3 -4.0 6 11 A P E +A 68 0A 103 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.320 39.7 170.4 -72.3 152.2 60.4 37.3 -1.8 7 12 A A E -A 67 0A 12 60,-2.1 60,-0.7 15,-0.1 2,-0.4 -0.974 25.5-127.2-150.7 169.2 57.2 39.3 -1.9 8 13 A T E -B 21 0A 96 13,-1.9 13,-2.8 -2,-0.3 58,-0.0 -0.956 27.6-112.2-124.9 133.7 55.5 42.0 0.1 9 14 A L E +B 20 0A 42 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.313 36.7 165.6 -62.7 138.0 52.0 42.0 1.4 10 15 A I E - 0 0 74 9,-2.2 2,-0.3 1,-0.2 10,-0.2 0.715 66.8 -26.5-107.6 -61.5 49.7 44.5 -0.1 11 16 A K E -B 19 0A 129 8,-1.8 8,-3.1 0, 0.0 2,-0.4 -0.972 48.8-128.8-155.0 132.8 46.3 43.2 1.1 12 17 A A E +B 18 0A 14 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.712 28.1 178.7 -78.7 137.0 44.7 39.9 2.2 13 18 A I - 0 0 41 4,-2.4 2,-0.3 -2,-0.4 5,-0.2 0.775 55.7 -21.2-108.1 -34.6 41.5 39.5 0.1 14 19 A D S S- 0 0 5 3,-2.1 3,-0.5 40,-0.1 -1,-0.4 -0.894 78.2 -79.9-160.6-178.1 39.9 36.2 1.1 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.837 132.1 31.1 -65.6 -29.2 40.9 32.9 2.7 16 21 A D S S+ 0 0 4 20,-0.1 15,-2.8 21,-0.1 2,-0.4 0.348 114.9 64.2-111.7 5.6 42.3 31.7 -0.6 17 22 A T E + C 0 30A 10 -3,-0.5 -4,-2.4 13,-0.2 -3,-2.1 -0.991 49.3 171.1-140.8 130.2 43.4 35.0 -2.2 18 23 A V E -BC 12 29A 1 11,-2.0 11,-3.3 -2,-0.4 2,-0.5 -0.994 26.6-134.5-136.2 142.7 46.1 37.6 -1.3 19 24 A K E +BC 11 28A 82 -8,-3.1 -9,-2.2 -2,-0.4 -8,-1.8 -0.900 33.4 175.8 -96.0 125.9 47.4 40.6 -3.1 20 25 A L E -BC 9 27A 0 7,-2.5 7,-2.7 -2,-0.5 2,-0.7 -0.870 37.5-119.2-127.7 156.2 51.2 40.9 -3.0 21 26 A M E -BC 8 26A 66 -13,-2.8 -13,-1.9 -2,-0.3 2,-0.5 -0.886 41.1-178.6 -89.6 116.7 53.9 43.1 -4.5 22 27 A Y E > - C 0 25A 16 3,-3.4 3,-1.8 -2,-0.7 -15,-0.1 -0.977 63.9 -17.3-127.0 121.6 56.0 40.6 -6.6 23 28 A K T 3 S- 0 0 167 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.877 131.4 -49.2 49.7 45.2 59.1 41.7 -8.5 24 29 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.433 120.8 102.6 80.0 1.6 57.9 45.3 -8.2 25 30 A Q E < S-C 22 0A 124 -3,-1.8 -3,-3.4 2,-0.0 2,-0.3 -0.940 71.8-122.5-121.4 139.2 54.4 44.7 -9.4 26 31 A P E +C 21 0A 63 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.625 43.3 169.9 -73.3 135.5 51.1 44.4 -7.5 27 32 A M E -C 20 0A 42 -7,-2.7 -7,-2.5 -2,-0.3 2,-0.4 -0.992 34.7-125.2-146.4 144.5 49.6 41.0 -8.3 28 33 A T E -C 19 0A 37 -2,-0.3 55,-2.4 53,-0.3 2,-0.4 -0.837 27.9-157.3 -89.6 132.6 46.7 38.9 -7.0 29 34 A F E -Cd 18 83A 0 -11,-3.3 -11,-2.0 -2,-0.4 2,-0.4 -0.925 7.8-156.8-112.5 132.4 47.7 35.4 -5.9 30 35 A R E -Cd 17 84A 34 53,-3.3 55,-1.7 -2,-0.4 2,-0.5 -0.892 31.9-114.9 -98.8 134.8 45.3 32.5 -5.6 31 36 A L E > - d 0 85A 2 -15,-2.8 3,-1.0 -2,-0.4 55,-0.2 -0.589 34.2-119.7 -75.2 124.4 46.6 29.8 -3.2 32 37 A L T 3 S+ 0 0 14 53,-2.3 55,-0.1 -2,-0.5 -1,-0.1 -0.310 81.5 4.7 -59.6 139.3 47.5 26.6 -5.1 33 38 A L T 3 S+ 0 0 11 75,-0.2 74,-2.5 1,-0.1 2,-0.4 0.397 105.0 96.2 79.1 4.4 45.7 23.2 -4.2 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.953 51.1-159.4-130.6 150.3 43.3 24.4 -1.7 35 40 A D E -H 105 0B 63 70,-3.1 70,-2.6 -2,-0.4 3,-0.0 -0.975 15.1-172.8-117.8 119.6 39.7 25.5 -1.5 36 41 A T - 0 0 7 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.741 37.7 -98.3 -98.7 157.1 38.5 27.6 1.4 37 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.479 53.9-133.0 -62.0 148.0 34.9 28.6 2.1 38 43 A E - 0 0 39 1,-0.1 9,-2.4 -24,-0.1 3,-0.3 -0.790 29.6-162.6-114.9 157.5 34.6 32.1 0.7 39 44 A T S S+ 0 0 38 -2,-0.3 2,-0.6 11,-0.3 -1,-0.1 0.675 100.2 45.0 -95.3 -35.5 33.3 35.5 1.9 40 45 A K S S+ 0 0 135 10,-0.1 -1,-0.2 6,-0.1 6,-0.2 -0.705 82.2 170.9-107.8 71.0 33.2 36.8 -1.7 41 46 A H - 0 0 53 4,-1.8 5,-0.0 -2,-0.6 0, 0.0 -0.790 37.5-136.4 -93.4 129.4 31.6 33.8 -3.4 42 47 A P S S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.799 99.1 8.8 -42.8 -41.3 30.6 34.2 -7.0 43 48 A K S S+ 0 0 185 2,-0.1 -2,-0.1 -3,-0.0 0, 0.0 0.822 134.9 32.5-110.8 -65.1 27.3 32.4 -6.3 44 49 A K S S- 0 0 171 1,-0.2 2,-0.5 -4,-0.0 -5,-0.0 0.964 83.0-152.6 -70.5 -52.9 26.6 31.6 -2.6 45 50 A G + 0 0 22 -7,-0.0 -4,-1.8 2,-0.0 2,-0.7 -0.902 65.4 16.2 126.1-106.5 28.2 34.6 -0.9 46 51 A V S S- 0 0 100 -2,-0.5 -7,-0.2 -6,-0.2 3,-0.1 -0.839 78.9-168.3-107.3 86.6 29.5 34.2 2.7 47 52 A E > - 0 0 63 -9,-2.4 3,-1.6 -2,-0.7 2,-0.2 -0.265 34.7 -73.6 -74.9 168.5 29.7 30.5 3.3 48 53 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.446 120.9 11.4 -63.5 123.3 30.3 28.7 6.6 49 54 A Y T 3> S+ 0 0 37 -2,-0.2 4,-3.3 -3,-0.1 5,-0.4 0.265 97.6 115.8 83.7 -2.3 33.9 29.0 7.9 50 55 A G H <> S+ 0 0 0 -3,-1.6 4,-2.7 2,-0.2 -11,-0.3 0.979 76.1 42.3 -57.7 -59.6 34.4 31.7 5.2 51 56 A P H > S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.910 116.9 50.6 -56.6 -37.8 35.0 34.5 7.6 52 57 A E H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.904 110.7 46.2 -68.8 -40.3 37.1 32.2 9.7 53 58 A A H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 5,-0.3 0.914 114.2 50.5 -64.6 -39.7 39.3 31.0 6.8 54 59 A S H X S+ 0 0 25 -4,-2.7 4,-1.8 -5,-0.4 -2,-0.2 0.921 109.3 48.9 -71.6 -33.2 39.7 34.5 5.7 55 60 A A H X S+ 0 0 46 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.896 109.2 54.2 -69.8 -33.9 40.7 35.8 9.2 56 61 A F H X S+ 0 0 58 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.953 111.2 43.6 -64.0 -49.8 43.3 33.0 9.5 57 62 A T H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.4 0.965 114.4 51.4 -61.5 -46.5 45.0 33.9 6.2 58 63 A K H X S+ 0 0 87 -4,-1.8 4,-2.9 -5,-0.3 5,-0.3 0.969 112.8 44.2 -52.6 -54.2 44.9 37.6 7.0 59 64 A K H X S+ 0 0 136 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.939 112.2 53.0 -61.6 -40.6 46.5 37.2 10.4 60 65 A M H < S+ 0 0 37 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.934 117.2 35.7 -65.8 -39.9 49.1 34.8 9.2 61 66 A V H >< S+ 0 0 4 -4,-2.8 3,-0.9 -5,-0.2 -1,-0.2 0.851 115.5 53.9 -83.3 -29.3 50.3 37.1 6.4 62 67 A E H 3< S+ 0 0 95 -4,-2.9 -1,-0.2 -5,-0.4 -2,-0.2 0.844 110.8 46.3 -70.9 -29.7 49.8 40.4 8.2 63 68 A N T 3< S+ 0 0 126 -4,-2.0 -1,-0.2 -5,-0.3 2,-0.2 0.269 90.2 111.0 -96.2 11.2 51.9 39.2 11.2 64 69 A A < - 0 0 23 -3,-0.9 3,-0.1 1,-0.1 -3,-0.0 -0.556 55.8-154.6 -85.6 147.1 54.8 37.8 9.2 65 70 A K S S+ 0 0 178 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.851 87.3 24.6 -79.0 -39.4 58.3 39.2 9.0 66 71 A K - 0 0 136 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.999 64.2-165.5-130.2 131.1 58.9 37.6 5.6 67 72 A I E -AE 7 89A 14 -60,-0.7 -60,-2.1 -2,-0.4 2,-0.4 -0.931 13.3-177.6-111.0 136.5 56.5 36.5 2.8 68 73 A E E -AE 6 88A 55 20,-2.2 20,-2.7 -2,-0.4 2,-0.4 -0.974 13.5-148.7-130.4 149.0 57.8 34.2 0.1 69 74 A V E -AE 5 87A 0 -64,-3.0 -64,-2.5 -2,-0.4 2,-0.4 -0.924 6.3-164.0-116.4 147.7 56.0 32.8 -3.0 70 75 A E E -AE 4 86A 9 16,-2.5 16,-2.9 -2,-0.4 -66,-0.2 -0.956 7.2-154.8-129.5 108.5 56.7 29.5 -4.6 71 76 A F E - E 0 85A 13 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.447 16.5-132.2 -73.5 155.1 55.4 28.8 -8.1 72 77 A D - 0 0 6 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.190 32.6 -90.0 -91.9-167.7 54.9 25.1 -9.1 73 78 A K S S+ 0 0 116 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.521 102.8 52.2 -87.5 -7.2 56.1 23.5 -12.4 74 79 A G S S- 0 0 21 1,-0.3 37,-0.0 36,-0.1 -2,-0.0 0.039 108.3 -14.4-107.8-147.6 53.0 24.2 -14.6 75 80 A Q - 0 0 124 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.2 -0.264 50.4-157.8 -58.2 138.2 51.1 27.3 -15.4 76 81 A R S S+ 0 0 123 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.502 72.8 41.5 -99.3 -7.2 51.9 30.2 -13.1 77 82 A T B S-F 83 0A 80 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.959 72.2-137.6-132.8 157.2 48.7 32.3 -13.7 78 83 A D > - 0 0 37 4,-2.0 3,-1.8 -2,-0.3 -2,-0.1 -0.418 44.1 -83.7-102.0-168.7 45.0 31.3 -14.0 79 84 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.669 127.2 56.8 -73.4 -11.1 42.4 32.6 -16.5 80 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.440 120.4-105.0 -97.2 2.9 41.7 35.6 -14.2 81 86 A G S < S+ 0 0 47 -3,-1.8 2,-0.4 1,-0.3 -53,-0.3 0.542 73.0 144.8 90.6 4.9 45.3 36.7 -14.2 82 87 A R - 0 0 61 -55,-0.1 -4,-2.0 -53,-0.1 -1,-0.3 -0.633 53.7-115.1 -82.3 137.3 45.9 35.5 -10.7 83 88 A G E -dF 29 77A 0 -55,-2.4 -53,-3.3 -2,-0.4 2,-0.6 -0.378 23.3-142.8 -60.0 140.1 49.3 34.1 -9.7 84 89 A L E +d 30 0A 29 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.941 44.3 133.5-109.7 111.0 49.1 30.4 -8.8 85 90 A A E -dE 31 71A 0 -55,-1.7 -53,-2.3 -2,-0.6 2,-0.5 -0.967 60.9-108.8-155.1 161.5 51.5 29.7 -5.9 86 91 A Y E - 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