==== 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 2F0G . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 25.2 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 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 3.0 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 . 8 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.0 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 7 A L 0 0 94 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 159.0 0.6 11.6 -7.0 2 8 A H - 0 0 125 68,-0.3 68,-0.6 69,-0.1 2,-0.4 -1.000 360.0-119.5-150.4 152.2 3.7 10.3 -5.3 3 9 A K E -A 69 0A 84 -2,-0.3 66,-0.2 66,-0.2 83,-0.0 -0.731 24.0-172.2 -93.9 131.3 6.5 11.5 -2.9 4 10 A E E -A 68 0A 28 64,-2.9 64,-3.7 -2,-0.4 2,-0.1 -0.908 27.0-107.3-118.1 151.9 10.2 11.5 -3.8 5 11 A P E +A 67 0A 101 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.416 37.4 171.1 -79.7 148.7 13.1 12.3 -1.5 6 12 A A E -A 66 0A 8 60,-2.0 60,-0.6 -2,-0.1 2,-0.4 -0.924 24.7-128.4-144.6 168.0 15.1 15.5 -1.7 7 13 A T E -B 20 0A 96 13,-1.6 13,-3.1 -2,-0.3 58,-0.0 -0.982 27.6-109.4-128.3 138.4 17.8 17.1 0.4 8 14 A L E +B 19 0A 51 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.306 38.4 164.0 -63.0 142.6 17.9 20.6 1.7 9 15 A I E - 0 0 72 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.603 67.6 -20.9-116.5 -59.1 20.4 22.9 0.2 10 16 A K E -B 18 0A 125 8,-2.0 8,-3.3 0, 0.0 2,-0.4 -0.961 50.5-133.0-154.9 133.6 19.1 26.4 1.2 11 17 A A E +B 17 0A 11 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.770 27.3 175.5 -82.2 137.1 15.9 28.0 2.4 12 18 A I - 0 0 43 4,-1.9 2,-0.3 1,-0.4 5,-0.2 0.721 55.9 -20.8-111.4 -36.7 15.3 31.2 0.4 13 19 A D S S- 0 0 6 3,-2.0 -1,-0.4 40,-0.1 3,-0.2 -0.924 76.5 -81.4-161.5 176.4 12.0 32.6 1.4 14 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.819 130.9 29.6 -60.0 -29.6 8.7 31.5 3.0 15 21 A D S S+ 0 0 7 1,-0.1 15,-3.0 21,-0.1 2,-0.4 0.428 115.7 62.0-114.0 -2.4 7.5 30.2 -0.4 16 22 A T E + C 0 29A 10 13,-0.2 -3,-2.0 -3,-0.2 -4,-1.9 -0.979 53.0 171.5-133.9 131.2 10.8 29.2 -2.1 17 23 A V E -BC 11 28A 4 11,-2.4 11,-3.4 -2,-0.4 2,-0.5 -0.986 28.4-129.8-137.3 149.3 13.5 26.6 -1.1 18 24 A K E +BC 10 27A 84 -8,-3.3 -9,-2.3 -2,-0.3 -8,-2.0 -0.895 35.5 175.2 -98.8 124.7 16.6 25.2 -2.8 19 25 A L E -BC 8 26A 0 7,-2.9 7,-2.4 -2,-0.5 2,-0.7 -0.910 36.2-122.0-128.2 151.3 16.7 21.4 -2.8 20 26 A M E +BC 7 25A 68 -13,-3.1 -13,-1.6 -2,-0.3 2,-0.5 -0.850 40.1 179.2 -88.7 116.5 18.9 18.7 -4.2 21 27 A Y E > - C 0 24A 21 3,-3.4 3,-2.1 -2,-0.7 -15,-0.1 -0.974 62.2 -18.3-127.9 123.6 16.6 16.6 -6.3 22 28 A K T 3 S- 0 0 163 -2,-0.5 -1,-0.2 -17,-0.5 -16,-0.1 0.878 131.0 -48.1 49.2 44.5 17.6 13.5 -8.3 23 29 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.3 -3,-0.1 -17,-0.0 0.204 120.9 94.1 87.3 -12.1 21.2 14.6 -8.1 24 30 A Q E < S-C 21 0A 83 -3,-2.1 -3,-3.4 2,-0.0 2,-0.2 -0.907 75.4-114.9-121.5 146.3 20.8 18.3 -9.1 25 31 A P E +C 20 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.497 43.6 175.0 -67.3 140.0 20.3 21.5 -7.2 26 32 A M E -C 19 0A 33 -7,-2.4 -7,-2.9 -2,-0.2 2,-0.5 -0.989 31.4-127.6-152.5 138.3 16.8 22.9 -8.0 27 33 A T E -C 18 0A 41 -2,-0.3 55,-2.9 53,-0.3 2,-0.4 -0.795 28.2-159.9 -88.0 128.4 14.7 25.9 -6.8 28 34 A F E -Cd 17 82A 0 -11,-3.4 -11,-2.4 -2,-0.5 2,-0.4 -0.936 9.5-155.6-112.7 136.1 11.2 24.9 -5.7 29 35 A R E -Cd 16 83A 35 53,-3.0 55,-1.8 -2,-0.4 2,-0.5 -0.887 31.3-115.6 -99.7 130.9 8.2 27.1 -5.4 30 36 A L E > - d 0 84A 2 -15,-3.0 3,-0.9 -2,-0.4 55,-0.2 -0.625 35.0-120.5 -73.1 123.2 5.6 25.8 -2.9 31 37 A L T 3 S+ 0 0 14 53,-2.2 55,-0.1 -2,-0.5 -1,-0.1 -0.296 81.7 5.4 -59.6 142.2 2.4 25.0 -4.8 32 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.3 80,-0.1 2,-0.4 0.373 104.8 98.4 74.2 6.7 -1.0 26.8 -3.9 33 39 A V E < -H 105 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.970 50.4-161.2-132.4 142.7 0.3 29.2 -1.4 34 40 A D E -H 104 0B 74 70,-2.8 70,-2.6 -2,-0.4 3,-0.0 -0.968 16.0-174.2-113.7 115.0 1.3 32.9 -1.2 35 41 A T - 0 0 11 -2,-0.5 68,-0.2 68,-0.2 2,-0.1 -0.642 37.7 -93.4 -96.9 161.1 3.4 34.0 1.7 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.502 52.2-117.6 -67.8 151.2 4.4 37.5 2.4 37 43 A E - 0 0 28 1,-0.1 9,-2.7 -2,-0.1 12,-0.3 -0.661 33.3-178.0-100.1 146.1 7.8 38.4 0.9 38 44 A T S S+ 0 0 34 7,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.536 100.7 35.9-104.2 -28.3 11.2 39.4 2.2 39 45 A K S S+ 0 0 124 10,-0.1 6,-0.2 6,-0.0 -1,-0.1 -0.588 85.4 171.3-123.4 67.4 12.6 39.6 -1.3 40 46 A H - 0 0 50 4,-2.1 5,-0.0 -2,-0.2 0, 0.0 -0.672 40.4-127.3 -84.4 132.4 9.5 41.0 -3.1 41 47 A P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.757 102.6 6.4 -47.5 -32.9 10.0 42.0 -6.8 42 48 A K S S+ 0 0 149 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.726 131.2 41.9-120.3 -53.7 8.4 45.4 -6.0 43 49 A K S S- 0 0 138 1,-0.2 2,-0.2 -4,-0.0 -5,-0.0 0.927 79.5-145.9 -63.0 -93.0 7.7 46.0 -2.3 44 50 A G + 0 0 25 -7,-0.1 -4,-2.1 0, 0.0 2,-0.6 -0.675 66.8 5.9 166.0-104.2 10.6 44.7 -0.2 45 51 A V S S- 0 0 91 -2,-0.2 -7,-0.3 -6,-0.2 3,-0.1 -0.863 76.7-163.1-109.2 84.8 10.1 43.1 3.2 46 52 A E > - 0 0 49 -9,-2.7 3,-1.4 -2,-0.6 2,-0.3 -0.217 33.6 -76.4 -71.3 167.0 6.4 42.8 3.7 47 53 A K T 3 S+ 0 0 153 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.494 118.6 9.6 -72.0 124.2 4.7 42.2 7.1 48 54 A Y T 3> S+ 0 0 44 -2,-0.3 4,-2.6 -3,-0.1 5,-0.3 0.263 97.7 113.9 82.4 -2.9 4.9 38.6 8.4 49 55 A G H <> S+ 0 0 0 -3,-1.4 4,-2.5 -12,-0.3 -11,-0.2 0.972 76.4 46.2 -56.6 -54.9 7.4 38.0 5.5 50 56 A P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.896 113.8 48.9 -60.0 -33.3 10.2 37.4 8.0 51 57 A E H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.876 111.0 48.8 -77.4 -32.4 8.1 35.1 10.1 52 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.897 112.9 50.4 -64.5 -38.7 6.8 33.1 7.2 53 59 A S H X S+ 0 0 27 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.920 110.1 46.9 -71.2 -37.8 10.4 32.8 6.1 54 60 A A H X S+ 0 0 49 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.876 111.0 54.1 -69.9 -32.9 11.7 31.6 9.5 55 61 A F H X S+ 0 0 56 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.942 110.0 44.7 -65.5 -47.5 8.9 29.1 9.8 56 62 A T H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.966 116.3 49.4 -58.3 -45.2 9.7 27.4 6.4 57 63 A K H X S+ 0 0 75 -4,-1.9 4,-3.6 -5,-0.3 5,-0.3 0.960 113.5 42.7 -59.5 -55.7 13.4 27.4 7.3 58 64 A K H X S+ 0 0 103 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.929 113.2 52.1 -59.4 -46.2 13.1 25.9 10.7 59 65 A M H < S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.915 118.9 36.1 -63.9 -37.3 10.5 23.3 9.7 60 66 A I H >< S+ 0 0 9 -4,-2.3 3,-1.6 -5,-0.3 -2,-0.2 0.920 114.9 53.3 -85.5 -36.8 12.7 22.1 6.9 61 67 A E H 3< S+ 0 0 78 -4,-3.6 -2,-0.2 -5,-0.3 -1,-0.2 0.851 110.7 49.1 -62.6 -28.7 16.1 22.5 8.5 62 68 A N T 3< S+ 0 0 118 -4,-2.2 -1,-0.3 -5,-0.3 2,-0.2 0.251 89.6 110.1 -94.8 12.0 14.9 20.5 11.5 63 69 A A < - 0 0 28 -3,-1.6 3,-0.2 1,-0.1 -3,-0.0 -0.542 56.3-154.2 -89.7 150.4 13.5 17.5 9.5 64 70 A K S S+ 0 0 192 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.868 88.2 26.7 -78.3 -40.6 14.9 14.0 9.3 65 71 A K - 0 0 115 -58,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.993 63.6-169.8-130.0 121.5 13.2 13.4 5.9 66 72 A I E -AE 6 88A 18 -60,-0.6 -60,-2.0 -2,-0.4 2,-0.4 -0.930 12.6-178.0-108.6 135.3 12.2 15.9 3.2 67 73 A E E -AE 5 87A 42 20,-2.2 20,-2.6 -2,-0.4 2,-0.4 -0.973 16.2-144.7-130.8 148.5 10.0 14.7 0.3 68 74 A V E -AE 4 86A 0 -64,-3.7 -64,-2.9 -2,-0.4 2,-0.5 -0.916 9.9-166.1-113.3 139.6 8.7 16.5 -2.8 69 75 A E E -AE 3 85A 11 16,-2.5 16,-3.3 -2,-0.4 -66,-0.2 -0.969 7.9-154.4-127.0 111.7 5.4 15.8 -4.3 70 76 A F E - E 0 84A 22 -68,-0.6 -68,-0.3 -2,-0.5 14,-0.2 -0.462 14.4-131.0 -80.0 155.2 4.5 17.1 -7.8 71 77 A D - 0 0 3 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.182 32.4 -95.3 -89.9-167.9 0.9 17.7 -8.8 72 78 A K S S+ 0 0 125 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.639 101.0 62.2 -92.2 -8.9 -0.6 16.4 -12.1 73 79 A G S S- 0 0 13 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.188 108.2 -27.0 -88.9-153.3 -0.0 19.6 -14.3 74 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.317 51.1-153.5 -61.9 146.4 3.2 21.3 -15.3 75 81 A R S S+ 0 0 121 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.456 72.4 46.4-106.7 1.4 6.0 20.7 -12.8 76 82 A T B S-F 82 0A 76 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.981 70.9-139.6-137.1 150.7 8.1 23.9 -13.5 77 83 A D > - 0 0 36 4,-2.0 3,-1.8 -2,-0.3 -2,-0.1 -0.375 43.8 -84.5 -97.8-174.0 7.1 27.5 -13.8 78 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.607 126.8 58.4 -70.2 -7.6 8.5 30.1 -16.2 79 85 A Y T 3 S- 0 0 160 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.387 120.0-106.5 -99.8 7.1 11.4 30.9 -13.9 80 86 A G S < S+ 0 0 48 -3,-1.8 2,-0.3 1,-0.3 -53,-0.3 0.563 72.7 145.1 82.1 7.9 12.5 27.3 -14.0 81 87 A R - 0 0 60 -55,-0.1 -4,-2.0 -53,-0.1 -1,-0.3 -0.629 53.0-116.5 -81.0 137.9 11.3 26.6 -10.4 82 88 A G E -dF 28 76A 0 -55,-2.9 -53,-3.0 -2,-0.3 2,-0.6 -0.384 23.1-141.1 -62.9 145.3 9.9 23.2 -9.5 83 89 A L E +d 29 0A 26 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.927 43.9 133.0-114.1 110.6 6.2 23.4 -8.5 84 90 A A E -dE 30 70A 0 -55,-1.8 -53,-2.2 -2,-0.6 2,-0.5 -0.961 60.1-106.8-153.3 165.0 5.5 21.0 -5.6 85 91 A Y E - 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