==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(PHOSPHORIC DIESTER) 07-JAN-94 1SYE . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.R.HYNES,A.HODEL,R.O.FOX . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 65.4 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 . 35 25.7 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 . 3 2.2 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 . 7 5.1 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 20.6 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 1 0 2 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 0 252 0, 0.0 2,-0.2 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 121.5 -1.8 39.4 22.4 2 7 A L - 0 0 48 68,-0.1 2,-0.3 113,-0.0 70,-0.1 -0.495 360.0-157.8 -83.7 157.3 0.9 37.0 21.2 3 8 A H - 0 0 128 68,-0.3 68,-0.5 -2,-0.2 2,-0.3 -0.998 13.7-124.5-143.9 139.6 4.1 38.4 19.6 4 9 A K - 0 0 89 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.559 23.2-166.9 -82.0 137.9 6.7 37.0 17.2 5 10 A E E -A 69 0A 39 64,-2.9 64,-3.3 -2,-0.3 -2,-0.0 -0.955 25.8-107.2-122.8 145.1 10.4 36.9 18.2 6 11 A P E +A 68 0A 103 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.215 39.1 171.8 -69.3 156.8 13.3 36.2 15.9 7 12 A A E -A 67 0A 13 60,-1.6 60,-0.7 15,-0.1 2,-0.4 -0.953 25.8-128.0-156.8 163.7 15.3 33.0 16.0 8 13 A T E -B 21 0A 97 13,-1.8 13,-2.7 -2,-0.3 2,-0.1 -0.992 27.8-113.7-126.1 131.0 18.0 31.4 13.9 9 14 A L E +B 20 0A 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.441 33.9 170.4 -63.1 136.6 17.7 27.9 12.5 10 15 A I E - 0 0 72 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.733 67.8 -39.4-105.5 -65.1 20.3 25.5 14.0 11 16 A K E -B 19 0A 122 8,-1.5 8,-3.2 0, 0.0 2,-0.3 -0.971 48.8-115.5-165.1 148.1 18.8 22.3 12.5 12 17 A A E +B 18 0A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.688 29.7 178.4 -83.2 133.0 15.5 20.6 11.7 13 18 A I E - 0 0 48 4,-2.2 2,-0.3 1,-0.4 5,-0.2 0.782 58.1 -17.7-106.0 -43.3 15.1 17.4 13.7 14 19 A D E > S-B 17 0A 7 3,-2.1 3,-0.6 39,-0.1 -1,-0.4 -0.869 79.0 -81.3-154.2 176.3 11.7 15.9 12.9 15 20 A G T 3 S+ 0 0 0 22,-0.4 23,-0.1 -2,-0.3 83,-0.1 0.874 131.8 29.0 -57.3 -38.9 8.4 17.0 11.4 16 21 A D T 3 S+ 0 0 4 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.280 114.6 65.3-106.5 6.3 7.4 18.5 14.8 17 22 A T E < +BC 14 30A 12 -3,-0.6 -4,-2.2 13,-0.2 -3,-2.1 -0.998 49.7 170.4-138.1 130.5 10.8 19.5 16.3 18 23 A V E -BC 12 29A 1 11,-2.0 11,-3.4 -2,-0.4 2,-0.5 -0.975 27.4-133.5-137.5 145.5 13.5 22.0 15.3 19 24 A K E +BC 11 28A 85 -8,-3.2 -9,-2.4 -2,-0.3 -8,-1.5 -0.888 34.3 174.2-100.5 129.9 16.6 23.3 17.1 20 25 A L E -BC 9 27A 0 7,-3.0 7,-3.5 -2,-0.5 2,-0.6 -0.924 38.3-117.9-133.3 158.1 16.9 27.1 17.0 21 26 A M E -BC 8 26A 63 -13,-2.7 -13,-1.8 -2,-0.3 2,-0.4 -0.876 42.3-179.4 -92.8 119.3 19.2 29.7 18.5 22 27 A Y E > - C 0 25A 24 3,-3.9 3,-2.2 -2,-0.6 -15,-0.1 -0.994 63.5 -13.1-134.1 124.1 16.8 31.8 20.7 23 28 A K T 3 S- 0 0 166 -2,-0.4 -1,-0.1 -17,-0.4 -16,-0.1 0.909 132.7 -50.7 49.1 49.4 17.8 34.8 22.7 24 29 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.416 122.1 96.2 73.7 4.0 21.4 33.8 22.1 25 30 A Q E < S-C 22 0A 125 -3,-2.2 -3,-3.9 2,-0.0 2,-0.3 -0.958 76.5-112.7-129.3 149.2 21.0 30.1 23.2 26 31 A P E +C 21 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.592 43.4 171.8 -71.7 128.1 20.3 26.9 21.4 27 32 A M E -C 20 0A 38 -7,-3.5 -7,-3.0 -2,-0.3 2,-0.4 -0.992 31.9-129.5-140.7 144.1 16.9 25.5 22.3 28 33 A T E -C 19 0A 40 -2,-0.3 55,-2.6 53,-0.3 2,-0.4 -0.789 27.6-156.8 -92.9 134.7 14.8 22.6 21.0 29 34 A F E -Cd 18 83A 0 -11,-3.4 -11,-2.0 -2,-0.4 2,-0.5 -0.942 8.8-153.8-117.2 138.3 11.3 23.7 20.1 30 35 A R E -Cd 17 84A 37 53,-3.7 55,-1.5 -2,-0.4 2,-0.4 -0.918 31.5-114.7-105.6 128.5 8.3 21.4 19.8 31 36 A L E > - d 0 85A 1 -15,-2.7 3,-1.0 -2,-0.5 55,-0.2 -0.571 33.7-119.4 -67.4 123.2 5.6 22.8 17.4 32 37 A L T 3 S+ 0 0 7 53,-2.6 55,-0.1 -2,-0.4 -1,-0.1 -0.241 82.6 2.0 -63.2 146.1 2.4 23.7 19.3 33 38 A L T 3 S+ 0 0 13 80,-0.1 74,-1.7 1,-0.1 2,-0.4 0.423 104.3 98.2 59.0 11.2 -0.9 21.9 18.5 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.4 72,-0.2 72,-0.2 -0.943 49.4-161.4-128.5 154.7 0.3 19.5 15.8 35 40 A D E -H 105 0B 73 70,-2.3 70,-2.4 -2,-0.4 3,-0.0 -0.975 15.2-173.8-130.1 111.4 1.3 15.8 15.8 36 41 A T - 0 0 8 -2,-0.4 68,-0.2 68,-0.2 2,-0.1 -0.654 39.0 -90.8-100.3 158.0 3.3 14.7 12.8 37 42 A P - 0 0 14 0, 0.0 -22,-0.4 0, 0.0 2,-0.2 -0.453 52.7-120.2 -66.3 141.1 4.2 11.0 12.1 38 43 A E - 0 0 48 1,-0.1 9,-3.0 -2,-0.1 12,-0.2 -0.585 31.3-175.5 -91.8 156.0 7.6 10.2 13.7 39 44 A T S S+ 0 0 37 7,-0.2 -1,-0.1 -2,-0.2 -25,-0.0 0.320 98.6 43.6-116.0 -14.5 10.8 9.1 12.2 40 45 A K S S+ 0 0 127 10,-0.0 6,-0.1 4,-0.0 -1,-0.0 -0.336 79.1 164.9-128.5 40.3 12.3 8.8 15.8 41 46 A H B > -I 45 0C 43 4,-1.6 4,-0.9 1,-0.2 0, 0.0 -0.602 40.0-135.9 -67.8 118.0 9.3 7.2 17.3 42 47 A P T 4 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.762 96.4 8.8 -42.8 -36.5 10.5 5.8 20.7 43 48 A K T 4 S+ 0 0 187 2,-0.1 -2,-0.1 1,-0.0 0, 0.0 0.813 123.8 53.8-110.1 -57.2 8.6 2.6 19.9 44 49 A K T 4 S- 0 0 144 1,-0.2 2,-0.4 -4,-0.0 -4,-0.0 0.138 82.8-136.4 -78.7 13.4 7.2 2.3 16.4 45 50 A G B < -I 41 0C 42 -4,-0.9 -4,-1.6 2,-0.0 2,-0.6 -0.546 69.3 -10.1 74.9-126.0 10.1 3.0 14.0 46 51 A V S S- 0 0 94 -2,-0.4 -7,-0.2 -6,-0.1 2,-0.1 -0.973 74.6-145.2-113.0 112.7 9.3 5.2 11.1 47 52 A E > - 0 0 50 -9,-3.0 3,-1.9 -2,-0.6 2,-0.3 -0.380 33.2 -85.7 -79.6 155.5 5.6 6.0 10.8 48 53 A K T 3 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.1 -10,-0.0 -0.504 119.3 18.0 -64.9 125.8 3.9 6.4 7.4 49 54 A Y T 3> S+ 0 0 30 -2,-0.3 4,-3.4 -3,-0.1 5,-0.3 0.231 94.0 113.2 90.9 -4.0 4.3 10.1 6.3 50 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.7 -12,-0.2 5,-0.2 0.957 78.2 43.5 -58.5 -56.9 7.2 10.6 8.8 51 56 A P H > S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.873 117.1 49.0 -57.7 -44.0 9.9 11.1 6.2 52 57 A E H > S+ 0 0 99 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.888 111.4 46.8 -63.7 -45.7 7.5 13.3 4.2 53 58 A A H X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.2 5,-0.2 0.873 114.7 49.4 -65.7 -35.7 6.5 15.4 7.3 54 59 A S H X S+ 0 0 25 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.909 110.9 47.5 -67.2 -46.9 10.2 15.8 8.2 55 60 A A H X S+ 0 0 54 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.859 111.4 53.6 -61.4 -40.6 11.2 16.8 4.7 56 61 A F H X S+ 0 0 48 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.979 112.1 41.4 -59.3 -60.2 8.4 19.3 4.7 57 62 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.914 116.4 50.3 -55.2 -46.7 9.4 21.0 7.9 58 63 A K H X S+ 0 0 92 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.939 110.7 48.7 -57.6 -48.1 13.1 20.9 7.0 59 64 A K H X S+ 0 0 134 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.915 111.6 49.7 -58.6 -46.3 12.5 22.4 3.5 60 65 A M H < S+ 0 0 28 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.863 118.1 36.5 -63.5 -43.5 10.4 25.2 4.9 61 66 A V H >< S+ 0 0 3 -4,-2.4 3,-0.6 2,-0.2 -1,-0.2 0.823 115.6 53.4 -81.4 -32.8 12.8 26.3 7.6 62 67 A E H 3< S+ 0 0 94 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.846 112.5 44.7 -70.6 -32.9 16.0 25.7 5.7 63 68 A N T 3< S+ 0 0 125 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.414 91.9 106.3 -88.1 -2.0 14.7 27.8 2.8 64 69 A A < - 0 0 24 -3,-0.6 3,-0.1 -4,-0.3 -3,-0.0 -0.428 55.6-156.8 -76.5 150.9 13.4 30.7 4.9 65 70 A K S S+ 0 0 179 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.742 85.6 28.2 -94.4 -24.4 15.1 34.0 5.1 66 71 A K - 0 0 135 -58,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.992 64.8-169.0-139.1 131.1 13.5 34.8 8.5 67 72 A I E -AE 7 89A 13 -60,-0.7 -60,-1.6 -2,-0.4 2,-0.3 -0.934 10.5-175.0-115.9 140.8 12.3 32.5 11.2 68 73 A E E -AE 6 88A 55 20,-2.1 20,-2.9 -2,-0.4 2,-0.4 -0.950 12.4-148.8-135.0 151.4 10.2 33.8 14.1 69 74 A V E -AE 5 87A 0 -64,-3.3 -64,-2.9 -2,-0.3 2,-0.4 -0.946 7.1-167.5-120.6 141.1 8.8 32.0 17.2 70 75 A E E - E 0 86A 8 16,-2.2 16,-2.7 -2,-0.4 -66,-0.2 -0.958 10.0-152.4-132.6 112.3 5.6 32.9 19.0 71 76 A F E - E 0 85A 24 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.416 16.6-129.6 -76.8 160.2 4.9 31.5 22.5 72 77 A D - 0 0 3 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.207 31.8 -93.7 -96.4-170.7 1.3 31.0 23.6 73 78 A K S S+ 0 0 115 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.566 102.1 60.9 -88.6 -9.9 -0.2 32.3 26.9 74 79 A G S S- 0 0 13 1,-0.3 -2,-0.1 36,-0.1 37,-0.0 0.107 107.1 -24.1 -97.4-148.6 0.3 29.1 28.9 75 80 A Q - 0 0 93 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.2 -0.287 50.6-153.6 -61.8 144.3 3.5 27.2 29.8 76 81 A R S S+ 0 0 117 -3,-0.1 8,-2.3 -5,-0.1 2,-0.3 0.468 72.1 43.0 -97.0 -12.2 6.4 27.8 27.5 77 82 A T B S-F 83 0A 76 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.956 72.4-134.1-133.4 150.8 8.4 24.6 27.9 78 83 A D > - 0 0 12 4,-2.2 3,-2.0 -2,-0.3 -2,-0.1 -0.349 43.5 -88.8 -91.3-179.7 7.4 20.9 28.2 79 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.640 128.2 58.6 -67.5 -13.8 8.7 18.5 30.8 80 85 A Y T 3 S- 0 0 178 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.275 120.7-107.8 -92.8 4.9 11.5 17.6 28.4 81 86 A G S < S+ 0 0 47 -3,-2.0 2,-0.3 1,-0.3 -53,-0.3 0.598 71.7 143.5 80.3 10.4 12.7 21.2 28.4 82 87 A R - 0 0 64 -55,-0.1 -4,-2.2 -53,-0.1 -1,-0.3 -0.700 54.3-115.7 -82.6 141.6 11.5 21.9 24.8 83 88 A G E -dF 29 77A 0 -55,-2.6 -53,-3.7 -2,-0.3 2,-0.7 -0.435 23.4-141.1 -72.6 142.3 10.0 25.4 24.0 84 89 A L E +d 30 0A 3 -8,-2.3 -12,-0.6 -55,-0.2 2,-0.3 -0.954 45.3 128.9-109.2 106.7 6.3 25.2 23.0 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-2.6 -2,-0.7 2,-0.5 -0.947 61.4-105.1-152.6 173.6 5.6 27.6 20.2 86 91 A Y E - 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