==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-NOV-05 2F0V . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.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) . 7765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 68.4 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 . 10 7.4 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 0 220 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.0 22.1 62.9 7.7 2 7 A L - 0 0 32 68,-0.1 2,-0.4 1,-0.0 70,-0.1 -0.286 360.0-153.3 -66.6 154.2 24.8 60.6 6.5 3 8 A H - 0 0 98 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.987 9.7-128.8-134.1 140.9 28.0 62.0 5.2 4 9 A K E -A 70 0A 91 -2,-0.4 66,-0.2 66,-0.1 83,-0.1 -0.655 22.9-170.6 -85.4 143.5 30.5 60.7 2.7 5 10 A E E -A 69 0A 27 64,-2.2 64,-3.2 -2,-0.3 2,-0.1 -0.973 26.9-105.4-129.0 145.6 34.2 60.7 3.6 6 11 A P E +A 68 0A 105 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.349 39.5 171.6 -75.8 154.5 37.1 60.0 1.3 7 12 A A E -A 67 0A 12 60,-1.9 60,-0.7 15,-0.1 2,-0.4 -0.910 23.8-130.6-150.9 166.5 39.0 56.8 1.3 8 13 A T E -B 21 0A 93 13,-1.5 13,-3.2 -2,-0.3 2,-0.1 -0.992 26.2-113.3-130.7 134.5 41.7 55.0 -0.8 9 14 A L E +B 20 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.388 36.5 164.7 -65.6 132.8 41.7 51.5 -2.1 10 15 A I E - 0 0 78 9,-2.2 2,-0.3 1,-0.2 10,-0.2 0.678 69.5 -22.3-106.1 -54.2 44.3 49.2 -0.6 11 16 A K E -B 19 0A 121 8,-2.4 8,-3.6 0, 0.0 2,-0.5 -0.934 49.2-134.8-160.3 131.4 42.9 45.9 -1.7 12 17 A A E -B 18 0A 21 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.792 21.9-175.9 -80.4 127.9 39.6 44.3 -2.7 13 18 A I - 0 0 48 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.831 57.2 -40.6 -98.7 -41.0 39.2 41.0 -0.9 14 19 A D S S- 0 0 7 3,-1.9 3,-0.4 39,-0.1 -1,-0.3 -0.892 84.6 -50.7-164.0-163.3 36.0 39.7 -2.4 15 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 -2,-0.3 83,-0.1 0.811 131.6 11.1 -51.4 -39.0 32.6 40.7 -3.5 16 21 A D S S+ 0 0 8 21,-0.1 15,-2.6 20,-0.1 2,-0.5 0.307 113.4 74.5-132.1 12.6 31.7 42.5 -0.3 17 22 A T E + C 0 30A 15 -3,-0.4 -4,-2.3 13,-0.2 -3,-1.9 -0.966 53.3 167.9-130.7 131.8 34.8 42.9 1.8 18 23 A L E -BC 12 29A 1 11,-3.1 11,-4.4 -2,-0.5 2,-0.5 -0.967 33.2-127.6-140.8 158.9 37.6 45.3 1.1 19 24 A K E +BC 11 28A 74 -8,-3.6 -8,-2.4 -2,-0.3 -9,-2.2 -0.944 37.2 175.5-104.2 122.1 40.7 46.8 2.6 20 25 A L E -BC 9 27A 0 7,-2.6 7,-2.7 -2,-0.5 2,-0.7 -0.912 37.3-121.2-125.4 154.0 40.8 50.6 2.5 21 26 A M E +BC 8 26A 62 -13,-3.2 -13,-1.5 -2,-0.3 2,-0.5 -0.873 41.7 176.6 -85.4 107.6 43.0 53.5 3.7 22 27 A Y E > - C 0 25A 34 3,-3.0 3,-1.4 -2,-0.7 -15,-0.1 -0.975 63.0 -18.9-131.1 120.8 40.6 55.5 5.9 23 28 A K T 3 S- 0 0 165 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.896 129.1 -49.7 47.3 51.5 41.7 58.6 7.9 24 29 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.1 -17,-0.0 0.444 122.1 96.2 79.1 -3.3 45.4 57.5 7.6 25 30 A Q E < S-C 22 0A 121 -3,-1.4 -3,-3.0 2,-0.0 2,-0.3 -0.943 74.0-120.6-123.6 141.0 44.8 53.9 8.8 26 31 A P E +C 21 0A 59 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.655 41.2 172.9 -75.9 137.0 44.3 50.6 6.9 27 32 A M E -C 20 0A 49 -7,-2.7 -7,-2.6 -2,-0.3 2,-0.4 -0.984 33.7-121.5-141.3 144.0 40.9 49.1 7.8 28 33 A T E -C 19 0A 44 -2,-0.3 55,-2.5 53,-0.3 2,-0.4 -0.703 32.0-158.9 -83.1 136.1 38.9 46.2 6.6 29 34 A F E -Cd 18 83A 0 -11,-4.4 -11,-3.1 -2,-0.4 2,-0.4 -0.957 10.2-158.7-120.8 142.1 35.4 47.2 5.4 30 35 A R E -Cd 17 84A 40 53,-3.0 55,-1.5 -2,-0.4 2,-0.4 -0.967 30.0-115.3-112.7 130.2 32.3 45.1 5.0 31 36 A L E > - d 0 85A 1 -15,-2.6 3,-0.9 -2,-0.4 55,-0.2 -0.589 33.8-119.9 -70.6 125.0 29.6 46.4 2.6 32 37 A L T 3 S+ 0 0 14 53,-2.5 55,-0.1 -2,-0.4 -1,-0.1 -0.295 82.2 1.8 -61.1 139.2 26.4 47.2 4.5 33 38 A L T 3 S+ 0 0 11 75,-0.2 74,-2.4 80,-0.1 2,-0.4 0.397 106.9 95.3 74.7 2.6 23.1 45.4 3.6 34 39 A V E < -H 106 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.969 50.6-161.4-131.4 146.3 24.4 43.1 1.0 35 40 A D E -H 105 0B 78 70,-2.9 70,-2.2 -2,-0.4 3,-0.0 -0.968 12.2-171.6-117.7 115.2 25.6 39.5 0.8 36 41 A T - 0 0 12 -2,-0.5 68,-0.2 68,-0.2 14,-0.1 -0.635 39.7 -87.9 -96.1 163.9 27.7 38.4 -2.2 37 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 2,-0.2 -0.384 49.9-113.3 -69.6 148.0 28.6 34.7 -2.8 38 43 A E - 0 0 34 1,-0.1 9,-4.0 -24,-0.1 12,-0.3 -0.575 28.9-177.7 -87.5 147.5 31.8 33.7 -1.1 39 44 A T S S+ 0 0 31 7,-0.3 -1,-0.1 11,-0.2 -25,-0.0 0.492 87.6 54.7-106.2 -21.8 35.0 32.6 -2.8 40 45 A K + 0 0 133 6,-0.1 6,-0.2 10,-0.0 3,-0.1 -0.338 69.6 153.3-110.7 46.1 36.7 31.8 0.5 41 46 A H - 0 0 43 4,-2.6 4,-0.1 1,-0.2 5,-0.0 -0.672 33.5-160.9 -76.6 121.9 34.2 29.4 2.0 42 47 A P S S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.890 97.4 38.5 -63.8 -33.6 36.0 27.1 4.4 43 48 A K S S+ 0 0 156 2,-0.1 -2,-0.1 -3,-0.1 0, 0.0 0.992 136.0 10.9 -67.9 -87.6 32.9 25.0 3.8 44 49 A K S S- 0 0 137 1,-0.3 2,-0.6 -4,-0.0 -1,-0.0 0.776 87.6-150.0 -73.1 -35.9 31.8 25.2 0.1 45 50 A G S S+ 0 0 25 -4,-0.1 -4,-2.6 2,-0.0 2,-0.8 -0.860 71.6 13.0 94.3-119.6 35.0 27.0 -1.2 46 51 A V S S- 0 0 85 -2,-0.6 -7,-0.3 -6,-0.2 3,-0.1 -0.797 81.1-153.6 -91.7 109.8 34.1 29.2 -4.1 47 52 A E > - 0 0 61 -9,-4.0 3,-1.9 -2,-0.8 2,-0.3 -0.331 37.0 -72.7 -78.9 169.7 30.3 29.5 -4.3 48 53 A K T 3 S+ 0 0 148 1,-0.3 -1,-0.1 2,-0.2 -10,-0.1 -0.484 120.5 6.9 -70.1 123.3 28.4 30.2 -7.6 49 54 A Y T 3> S+ 0 0 41 -2,-0.3 4,-2.6 -3,-0.1 5,-0.3 0.367 96.4 118.2 81.1 3.1 28.9 33.8 -8.8 50 55 A G H <> S+ 0 0 0 -3,-1.9 4,-1.9 -12,-0.3 -35,-0.2 0.959 78.4 41.5 -58.4 -54.7 31.5 34.3 -6.0 51 56 A P H > S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.916 114.9 53.9 -63.4 -36.1 34.3 35.0 -8.4 52 57 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.894 109.7 44.9 -59.9 -48.5 31.9 37.1 -10.6 53 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.881 113.1 54.3 -66.0 -32.9 30.9 39.3 -7.7 54 59 A S H X S+ 0 0 26 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.923 108.2 45.9 -68.4 -42.4 34.5 39.5 -6.8 55 60 A A H X S+ 0 0 40 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.887 112.0 53.7 -70.0 -35.4 35.7 40.7 -10.2 56 61 A F H X S+ 0 0 53 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.966 110.9 43.0 -63.6 -50.3 32.9 43.3 -10.3 57 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.953 115.3 51.7 -59.7 -43.3 33.7 44.9 -7.0 58 63 A K H X S+ 0 0 94 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.940 112.7 42.6 -60.3 -48.1 37.4 44.8 -7.8 59 64 A K H X S+ 0 0 128 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.937 112.8 53.2 -66.9 -45.1 37.1 46.5 -11.2 60 65 A M H < S+ 0 0 40 -4,-2.5 4,-0.2 -5,-0.3 -1,-0.2 0.922 116.5 39.0 -57.5 -41.7 34.6 49.0 -10.0 61 66 A L H >< S+ 0 0 6 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.2 0.916 115.2 51.0 -75.4 -39.6 36.9 50.1 -7.2 62 67 A E H 3< S+ 0 0 99 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.775 111.0 48.4 -71.7 -23.2 40.1 49.9 -9.1 63 68 A N T 3< S+ 0 0 135 -4,-2.3 -1,-0.3 -5,-0.2 2,-0.2 0.373 88.0 114.4 -96.5 4.5 38.9 52.0 -12.0 64 69 A A < - 0 0 26 -3,-1.1 3,-0.1 -4,-0.2 -3,-0.0 -0.456 56.5-153.0 -82.3 146.2 37.4 54.8 -9.9 65 70 A K S S+ 0 0 177 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.880 88.3 19.3 -71.7 -41.8 38.6 58.4 -9.8 66 71 A K - 0 0 136 -3,-0.0 24,-2.8 2,-0.0 2,-0.4 -0.999 63.4-162.6-136.2 134.3 37.3 58.8 -6.3 67 72 A L E -AE 7 89A 16 -60,-0.7 -60,-1.9 -2,-0.4 2,-0.3 -0.925 14.7-178.8-110.9 140.7 36.3 56.4 -3.5 68 73 A E E -AE 6 88A 55 20,-1.9 20,-3.1 -2,-0.4 2,-0.4 -0.993 16.8-143.7-137.0 146.0 34.1 57.5 -0.6 69 74 A V E -AE 5 87A 0 -64,-3.2 -64,-2.2 -2,-0.3 2,-0.5 -0.879 9.1-165.0-109.9 139.0 32.8 55.7 2.5 70 75 A E E -AE 4 86A 10 16,-2.5 16,-2.9 -2,-0.4 -66,-0.1 -0.930 8.1-154.7-127.0 106.4 29.4 56.4 4.0 71 76 A F E - E 0 85A 12 -68,-0.5 -68,-0.3 -2,-0.5 14,-0.2 -0.442 15.7-132.6 -72.5 147.4 28.7 55.2 7.6 72 77 A D - 0 0 3 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.021 31.9 -91.1 -86.8-161.4 25.1 54.5 8.5 73 78 A K S S+ 0 0 128 39,-0.6 40,-0.2 -71,-0.1 3,-0.1 0.645 103.0 53.6 -88.2 -20.8 23.4 55.7 11.8 74 79 A G S S- 0 0 18 1,-0.3 37,-0.1 36,-0.1 2,-0.0 0.266 109.1 -17.8 -90.8-149.2 24.1 52.7 14.0 75 80 A Q - 0 0 110 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.322 49.8-156.5 -56.2 139.3 27.3 50.8 14.9 76 81 A R S S+ 0 0 121 -3,-0.1 8,-2.2 -5,-0.1 2,-0.3 0.495 75.4 43.1-101.6 -9.2 30.2 51.6 12.5 77 82 A T B S-F 83 0A 80 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.976 74.3-137.0-131.9 150.5 32.2 48.4 13.2 78 83 A D > - 0 0 33 4,-1.9 3,-2.2 -2,-0.3 -2,-0.1 -0.360 43.0 -88.1 -93.3-177.0 31.1 44.8 13.5 79 84 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.754 127.7 59.2 -63.9 -21.6 32.4 42.3 16.2 80 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.462 120.4-107.4 -85.4 -0.6 35.2 41.4 13.8 81 86 A G S < S+ 0 0 50 -3,-2.2 2,-0.4 1,-0.3 -53,-0.3 0.541 72.1 143.5 86.8 6.7 36.5 45.0 13.7 82 87 A R - 0 0 63 -55,-0.1 -4,-1.9 -53,-0.1 -1,-0.3 -0.653 54.0-118.1 -85.4 134.4 35.3 45.7 10.2 83 88 A G E -dF 29 77A 0 -55,-2.5 -53,-3.0 -2,-0.4 2,-0.5 -0.445 24.1-143.7 -61.5 143.8 33.9 49.1 9.2 84 89 A L E +d 30 0A 27 -8,-2.2 -12,-0.6 -55,-0.2 2,-0.3 -0.970 42.6 126.0-116.4 113.0 30.3 48.9 8.1 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-2.5 -2,-0.5 2,-0.4 -0.956 61.5-100.3-157.3 171.4 29.5 51.3 5.4 86 91 A Y E - 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