==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEASE 24-JAN-98 1A3U . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.WYNN,P.C.HARKINS,F.M.RICHARDS,R.O.FOX . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7340.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 70.4 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 . 2 1.5 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 . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.7 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 95 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 135.4 1.1 36.9 21.5 2 8 A H - 0 0 147 68,-0.3 68,-0.6 69,-0.1 2,-0.4 -0.928 360.0-133.5-122.3 139.3 4.4 38.4 20.3 3 9 A K E -A 69 0A 73 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.780 23.0-170.6 -93.1 142.2 6.8 37.0 17.6 4 10 A E E -A 68 0A 41 64,-2.4 64,-3.1 -2,-0.4 2,-0.1 -0.949 25.6-104.7-130.5 148.1 10.5 36.9 18.2 5 11 A P E +A 67 0A 90 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.391 38.6 173.1 -72.6 150.0 13.5 36.1 15.9 6 12 A A E -A 66 0A 11 60,-1.7 60,-0.6 15,-0.1 2,-0.5 -0.946 25.7-130.5-149.9 157.9 15.3 32.7 16.1 7 13 A T E -B 20 0A 95 13,-1.7 13,-2.9 -2,-0.3 58,-0.0 -0.974 25.3-120.5-120.7 124.0 18.0 31.1 13.9 8 14 A L E +B 19 0A 42 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.354 33.3 171.4 -61.9 133.0 17.6 27.6 12.6 9 15 A I E - 0 0 71 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.736 66.7 -18.8-106.2 -50.0 20.3 25.3 13.8 10 16 A K E -B 18 0A 110 8,-1.8 8,-2.9 0, 0.0 2,-0.6 -0.962 54.0-134.0-162.7 131.2 19.1 22.0 12.7 11 17 A A E -B 17 0A 15 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.840 22.5-178.5 -90.1 120.5 15.7 20.5 11.6 12 18 A I - 0 0 52 4,-1.3 2,-0.3 -2,-0.6 5,-0.2 0.875 57.4 -39.4 -87.6 -45.0 15.2 17.2 13.4 13 19 A D S S- 0 0 14 3,-2.2 -1,-0.3 39,-0.1 3,-0.3 -0.902 83.1 -54.0-162.4-168.6 11.9 16.1 12.0 14 20 A G S S+ 0 0 0 22,-0.3 83,-0.1 35,-0.3 23,-0.1 0.772 131.5 13.0 -52.0 -33.0 8.4 17.3 11.0 15 21 A D S S+ 0 0 6 21,-0.1 15,-2.3 20,-0.1 2,-0.4 0.416 116.2 66.7-128.2 1.9 7.7 19.0 14.4 16 22 A T E + C 0 29A 16 -3,-0.3 -3,-2.2 13,-0.2 -4,-1.3 -0.976 52.5 147.9-129.0 141.5 11.0 19.2 16.4 17 23 A X E -BC 11 28A 0 11,-1.8 11,-2.7 -2,-0.4 2,-0.5 -0.922 41.2-108.9-156.1 177.7 14.1 21.2 15.7 18 24 A K E +BC 10 27A 58 -8,-2.9 -9,-2.7 -2,-0.3 -8,-1.8 -0.976 36.6 177.0-121.9 130.9 17.0 23.1 17.3 19 25 A L E -BC 8 26A 0 7,-3.2 7,-2.6 -2,-0.5 2,-0.9 -0.943 36.3-119.4-133.7 156.0 17.1 26.8 17.2 20 26 A M E +BC 7 25A 69 -13,-2.9 -13,-1.7 -2,-0.3 2,-0.5 -0.851 41.7 178.9 -92.1 106.1 19.4 29.5 18.5 21 27 A Y E > - C 0 24A 30 3,-3.3 3,-1.6 -2,-0.9 -15,-0.1 -0.972 65.1 -14.5-116.7 124.2 17.0 31.5 20.7 22 28 A K T 3 S- 0 0 108 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.932 131.6 -50.5 53.5 46.7 18.2 34.6 22.6 23 29 A G T 3 S+ 0 0 71 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.1 0.585 122.0 100.2 70.4 11.9 21.8 33.5 22.0 24 30 A Q E < S-C 21 0A 98 -3,-1.6 -3,-3.3 2,-0.0 2,-0.3 -0.985 72.8-121.1-134.7 137.5 21.2 29.9 23.2 25 31 A P E +C 20 0A 82 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.580 42.9 163.8 -74.2 132.9 20.7 26.7 21.3 26 32 A M E -C 19 0A 40 -7,-2.6 -7,-3.2 -2,-0.3 2,-0.4 -0.988 37.8-119.8-145.5 152.7 17.4 25.1 22.3 27 33 A T E -C 18 0A 45 -2,-0.3 55,-2.4 -9,-0.3 2,-0.3 -0.798 31.3-158.5 -98.0 134.7 15.2 22.4 20.9 28 34 A F E -Cd 17 82A 0 -11,-2.7 -11,-1.8 -2,-0.4 2,-0.4 -0.828 8.5-158.5-112.7 151.5 11.7 23.5 20.0 29 35 A R E -Cd 16 83A 18 53,-2.7 55,-1.3 -2,-0.3 -13,-0.2 -1.000 30.1-110.9-129.9 128.7 8.5 21.5 19.6 30 36 A L E > - d 0 84A 2 -15,-2.3 3,-0.7 -2,-0.4 55,-0.2 -0.352 33.6-118.9 -63.8 132.1 5.6 22.8 17.5 31 37 A L T 3 S+ 0 0 11 53,-2.5 55,-0.1 1,-0.2 -1,-0.1 -0.428 85.2 4.2 -71.2 145.4 2.4 23.8 19.5 32 38 A L T 3 S+ 0 0 3 75,-0.5 74,-1.4 80,-0.2 2,-0.3 0.490 109.4 89.1 60.6 13.8 -0.9 22.0 18.8 33 39 A V E < -H 105 0B 0 -3,-0.7 2,-0.4 72,-0.3 72,-0.2 -0.913 51.3-159.2-138.8 163.8 0.3 19.5 16.3 34 40 A D E -H 104 0B 27 70,-1.8 70,-1.8 -2,-0.3 3,-0.1 -0.922 7.9-168.3-145.0 111.8 1.7 16.0 15.8 35 41 A T - 0 0 3 -2,-0.4 68,-0.2 68,-0.2 -20,-0.1 -0.740 45.1 -82.2 -92.2 151.9 3.6 14.9 12.7 36 42 A P - 0 0 5 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.168 50.5-101.8 -57.5 145.7 4.3 11.2 12.3 37 43 A E + 0 0 43 1,-0.1 9,-1.6 -24,-0.1 12,-0.2 -0.286 38.5 167.8 -68.0 146.7 7.3 9.6 14.1 38 44 A T S S+ 0 0 27 7,-0.2 7,-0.2 11,-0.1 -1,-0.1 0.247 76.6 34.5-138.6 2.3 10.5 8.8 12.3 39 45 A K S S+ 0 0 118 5,-0.3 5,-0.5 1,-0.1 4,-0.3 0.319 81.6 82.1-120.3-110.5 12.6 8.1 15.5 40 46 A H >> - 0 0 98 3,-0.1 4,-2.4 1,-0.1 3,-1.0 0.457 65.4-135.7 -11.2 112.0 11.3 6.6 18.8 41 47 A P T 34 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.690 100.9 66.7 -46.8 -35.6 11.2 2.7 18.7 42 48 A K T 34 S+ 0 0 177 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.092 120.5 22.1 -79.5 26.1 7.8 2.5 20.3 43 49 A K T <4 S- 0 0 97 -3,-1.0 -1,-0.2 -4,-0.3 -3,-0.1 0.272 92.0-166.7-152.5 -47.5 6.4 4.2 17.2 44 50 A G < - 0 0 25 -4,-2.4 2,-1.3 -5,-0.5 -5,-0.3 -0.370 57.6 -29.9 77.5-165.3 9.0 3.5 14.4 45 51 A V S S- 0 0 100 -7,-0.2 -7,-0.2 -2,-0.1 -1,-0.1 -0.731 76.6-159.2 -89.2 89.3 9.0 5.3 11.1 46 52 A E > - 0 0 59 -9,-1.6 3,-1.6 -2,-1.3 2,-0.2 -0.207 30.5 -81.3 -66.5 159.0 5.2 6.0 10.8 47 53 A K T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.1 -10,-0.1 -0.464 116.9 15.6 -67.8 132.0 3.6 6.7 7.5 48 54 A Y T 3> S+ 0 0 50 -2,-0.2 4,-3.0 -3,-0.1 -1,-0.3 0.275 94.5 111.5 84.3 -2.3 4.0 10.3 6.3 49 55 A G H <> S+ 0 0 1 -3,-1.6 4,-2.0 -12,-0.2 -35,-0.3 0.975 81.0 42.0 -63.6 -53.7 6.8 10.8 8.9 50 56 A P H > S+ 0 0 59 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.889 115.1 53.2 -60.8 -36.9 9.4 11.1 6.2 51 57 A E H > S+ 0 0 68 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.914 108.6 46.9 -63.4 -48.0 7.1 13.3 4.1 52 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.881 111.9 51.9 -63.6 -38.0 6.4 15.8 7.0 53 59 A S H X S+ 0 0 25 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.918 112.4 45.6 -65.3 -41.7 10.1 16.0 7.7 54 60 A A H X S+ 0 0 49 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.921 112.5 49.1 -67.7 -46.2 10.9 16.7 4.1 55 61 A F H X S+ 0 0 57 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.942 116.9 43.3 -56.1 -51.4 8.1 19.3 3.7 56 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.914 109.9 54.8 -60.6 -49.6 9.2 21.1 6.8 57 63 A K H X S+ 0 0 98 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.917 110.0 46.4 -55.5 -49.1 13.0 20.9 6.2 58 64 A K H X S+ 0 0 136 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.959 110.9 53.6 -59.3 -50.3 12.7 22.6 2.8 59 65 A M H < S+ 0 0 32 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.854 117.3 34.9 -53.6 -43.5 10.4 25.3 4.2 60 66 A V H >< S+ 0 0 5 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.791 112.7 58.2 -86.6 -28.5 12.7 26.3 7.0 61 67 A E H 3< S+ 0 0 103 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.776 109.5 44.6 -72.7 -24.2 16.0 25.8 5.2 62 68 A N T 3< S+ 0 0 131 -4,-1.7 -1,-0.2 -5,-0.2 2,-0.2 0.239 90.7 119.2-102.3 13.4 15.1 28.3 2.4 63 69 A A < - 0 0 27 -3,-0.9 3,-0.1 1,-0.1 -3,-0.1 -0.520 50.9-160.8 -84.8 144.0 13.7 30.9 4.8 64 70 A K S S+ 0 0 165 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.804 83.9 26.1 -86.2 -34.8 15.1 34.4 5.2 65 71 A K - 0 0 131 -58,-0.0 24,-3.2 2,-0.0 2,-0.4 -0.984 60.6-169.2-138.4 133.1 13.5 34.8 8.6 66 72 A I E -AE 6 88A 15 -60,-0.6 -60,-1.7 -2,-0.4 2,-0.4 -0.931 12.9-175.3-118.7 137.4 12.4 32.4 11.3 67 73 A E E -AE 5 87A 53 20,-1.9 20,-2.5 -2,-0.4 2,-0.4 -0.998 13.9-149.1-135.2 140.1 10.2 33.7 14.2 68 74 A V E -AE 4 86A 0 -64,-3.1 -64,-2.4 -2,-0.4 2,-0.5 -0.900 9.0-168.2-110.2 135.1 9.0 31.9 17.4 69 75 A E E -AE 3 85A 9 16,-2.4 16,-2.5 -2,-0.4 -66,-0.2 -0.950 8.8-154.7-126.0 108.4 5.7 32.9 19.0 70 76 A F E - E 0 84A 14 -68,-0.6 -68,-0.3 -2,-0.5 14,-0.2 -0.481 14.5-131.5 -77.7 153.8 5.0 31.5 22.5 71 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.076 34.0 -88.6 -88.4-162.6 1.4 31.1 23.7 72 78 A K S S+ 0 0 135 39,-0.5 40,-0.2 -71,-0.1 3,-0.1 0.622 103.6 55.0 -87.4 -16.8 -0.1 32.3 27.0 73 79 A G S S- 0 0 16 1,-0.3 37,-0.0 36,-0.1 -2,-0.0 0.128 107.7 -18.5 -93.3-145.0 0.7 29.2 29.2 74 80 A Q - 0 0 133 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.274 49.6-148.5 -64.3 142.8 3.9 27.4 29.9 75 81 A R S S+ 0 0 140 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.516 76.5 38.9 -90.0 -8.5 6.8 28.0 27.4 76 82 A T B S-F 82 0A 65 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.982 71.9-134.2-139.5 150.9 8.5 24.5 27.7 77 83 A D > - 0 0 28 4,-2.1 3,-2.1 -2,-0.3 -2,-0.0 -0.336 47.7 -79.7 -92.3-174.7 7.3 21.0 28.0 78 84 A K T 3 S+ 0 0 168 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.726 128.4 56.7 -59.6 -22.4 8.6 18.3 30.4 79 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.344 120.4-105.1 -90.3 4.0 11.6 17.5 28.2 80 86 A G S < S+ 0 0 47 -3,-2.1 2,-0.3 1,-0.3 -53,-0.2 0.580 72.1 147.4 82.8 12.9 12.8 21.1 28.3 81 87 A R - 0 0 62 -55,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.631 52.4-115.1 -86.1 135.6 11.6 21.8 24.7 82 88 A G E -dF 28 76A 0 -55,-2.4 -53,-2.7 -2,-0.3 2,-0.6 -0.400 26.8-144.4 -65.6 142.6 10.4 25.3 23.8 83 89 A L E +d 29 0A 23 -8,-2.4 -12,-0.5 -55,-0.2 2,-0.3 -0.946 40.1 125.5-115.8 115.1 6.7 25.3 22.9 84 90 A A E -dE 30 70A 0 -55,-1.3 -53,-2.5 -2,-0.6 2,-0.6 -0.926 62.7-100.6-158.5 174.7 5.7 27.7 20.1 85 91 A Y E - 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