==== 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 31-MAY-00 1F2Y . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.HODEL,P.C.HARKINS,D.M.ADELMAN,M.A.WHITE,R.O.FOX . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 66.2 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 . 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 . 8 5.9 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 . 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 . 3 2 1 1 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 0 239 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 152.6 -2.3 39.1 22.2 2 7 A L - 0 0 24 68,-0.1 2,-0.4 113,-0.0 70,-0.1 -0.390 360.0-155.3 -80.6 164.5 0.6 36.8 21.2 3 8 A H - 0 0 113 68,-0.3 68,-0.4 -2,-0.1 2,-0.1 -0.998 13.8-120.7-146.1 140.0 3.6 38.3 19.5 4 9 A K - 0 0 85 -2,-0.4 66,-0.2 66,-0.1 83,-0.1 -0.434 27.2-165.7 -76.8 152.5 6.2 36.9 17.2 5 10 A E E -A 69 0A 31 64,-1.7 64,-3.3 -2,-0.1 -2,-0.0 -0.997 23.0-104.6-137.7 144.8 9.9 36.9 18.2 6 11 A P E +A 68 0A 104 0, 0.0 17,-0.3 0, 0.0 2,-0.3 -0.199 40.9 163.4 -67.9 157.6 13.1 36.4 16.2 7 12 A A E -A 67 0A 12 60,-1.3 60,-0.6 15,-0.1 2,-0.4 -0.958 29.4-125.1-162.0 165.3 15.2 33.2 16.3 8 13 A T E -B 21 0A 94 13,-1.2 13,-2.4 -2,-0.3 2,-0.1 -0.984 26.5-114.5-127.6 133.4 17.8 31.5 14.2 9 14 A L E +B 20 0A 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.399 35.6 167.3 -63.3 132.7 17.8 28.0 12.8 10 15 A I E - 0 0 70 9,-2.4 2,-0.3 1,-0.3 10,-0.2 0.710 66.4 -29.2-109.2 -52.1 20.3 25.7 14.3 11 16 A K E -B 19 0A 119 8,-1.7 8,-3.4 0, 0.0 2,-0.4 -0.963 51.6-126.5-166.4 140.9 19.1 22.3 13.1 12 17 A A E +B 18 0A 12 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.774 28.7 176.5 -90.3 144.6 15.8 20.7 12.2 13 18 A I - 0 0 46 4,-2.2 2,-0.2 1,-0.4 5,-0.2 0.774 55.1 -8.6-115.9 -50.1 15.3 17.4 14.0 14 19 A D S S- 0 0 5 3,-2.2 -1,-0.4 39,-0.1 3,-0.4 -0.773 79.0 -89.2-139.9-178.1 12.0 15.8 13.4 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.2 83,-0.1 0.816 131.3 32.7 -68.5 -23.9 8.8 16.9 11.5 16 21 A D S S+ 0 0 7 20,-0.1 15,-2.4 21,-0.1 2,-0.4 0.280 114.3 63.7-113.6 8.2 7.7 18.3 14.9 17 22 A T E + C 0 30A 9 -3,-0.4 -3,-2.2 13,-0.2 -4,-2.2 -0.996 49.4 171.4-140.5 135.4 10.9 19.5 16.5 18 23 A V E -BC 12 29A 0 11,-1.9 11,-2.9 -2,-0.4 2,-0.5 -0.991 27.6-131.7-141.2 142.7 13.5 22.1 15.5 19 24 A K E +BC 11 28A 83 -8,-3.4 -9,-2.4 -2,-0.3 -8,-1.7 -0.852 34.5 177.3 -96.4 129.1 16.5 23.4 17.4 20 25 A L E -BC 9 27A 0 7,-3.2 7,-2.9 -2,-0.5 2,-0.8 -0.861 36.8-121.7-130.7 163.5 16.8 27.2 17.5 21 26 A M E +BC 8 26A 70 -13,-2.4 -13,-1.2 -2,-0.3 2,-0.5 -0.906 41.2 176.1-106.8 99.9 19.0 30.0 18.9 22 27 A Y E > - C 0 25A 21 3,-2.4 3,-2.0 -2,-0.8 -15,-0.1 -0.941 63.4 -14.1-113.9 124.5 16.5 32.0 20.9 23 28 A K T 3 S- 0 0 152 -2,-0.5 -1,-0.2 -17,-0.3 -16,-0.1 0.847 130.6 -49.2 53.8 41.1 17.6 35.0 23.1 24 29 A G T 3 S+ 0 0 69 -3,-0.2 -1,-0.3 1,-0.2 -17,-0.0 0.286 122.3 93.3 87.6 -12.1 21.2 34.0 22.8 25 30 A Q E < S-C 22 0A 116 -3,-2.0 -3,-2.4 2,-0.0 -1,-0.2 -0.933 75.6-116.0-126.2 141.1 20.7 30.4 23.8 26 31 A P E +C 21 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.466 41.7 174.7 -65.6 136.6 20.2 27.1 21.8 27 32 A M E -C 20 0A 41 -7,-2.9 -7,-3.2 -2,-0.2 2,-0.5 -0.998 31.9-127.4-148.7 143.5 16.8 25.6 22.5 28 33 A T E -C 19 0A 43 -2,-0.3 55,-2.8 53,-0.3 2,-0.4 -0.771 28.7-160.1 -92.0 129.9 14.8 22.7 21.3 29 34 A F E -Cd 18 83A 0 -11,-2.9 -11,-1.9 -2,-0.5 2,-0.5 -0.932 8.9-154.9-113.8 139.4 11.3 23.7 20.2 30 35 A R E -Cd 17 84A 39 53,-3.3 55,-1.5 -2,-0.4 2,-0.4 -0.931 31.5-113.5-109.8 132.0 8.3 21.4 19.8 31 36 A L E > - d 0 85A 1 -15,-2.4 3,-0.9 -2,-0.5 55,-0.2 -0.545 36.1-118.8 -69.4 122.2 5.7 22.6 17.4 32 37 A L T 3 S+ 0 0 14 53,-2.7 55,-0.1 -2,-0.4 -1,-0.1 -0.274 82.0 3.0 -63.5 146.8 2.5 23.4 19.2 33 38 A L T 3 S+ 0 0 14 75,-0.1 74,-2.1 80,-0.1 2,-0.4 0.394 103.7 101.7 62.0 4.4 -0.8 21.7 18.5 34 39 A V E < -H 106 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.919 50.8-158.3-126.0 149.1 0.4 19.2 15.9 35 40 A D E -H 105 0B 73 70,-2.9 70,-2.6 -2,-0.4 -3,-0.0 -0.983 16.3-169.7-120.4 118.2 1.3 15.5 15.8 36 41 A T - 0 0 8 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.821 35.7 -97.4-106.7 143.9 3.6 14.4 13.0 37 42 A P - 0 0 12 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.383 54.3-116.8 -56.6 139.4 4.4 10.8 12.1 38 43 A E - 0 0 44 1,-0.1 9,-3.4 -24,-0.1 12,-0.3 -0.546 33.4-175.7 -92.7 147.0 7.7 10.0 13.8 39 44 A T S S+ 0 0 31 7,-0.3 2,-0.2 11,-0.2 -1,-0.1 0.731 99.3 29.0 -96.2 -37.5 11.1 9.1 12.4 40 45 A K S S+ 0 0 109 10,-0.1 6,-0.2 6,-0.1 -1,-0.1 -0.517 82.4 173.5-121.1 58.7 12.5 8.6 15.9 41 46 A H B > -I 45 0C 42 4,-1.7 4,-1.3 -2,-0.2 5,-0.1 -0.546 41.0-122.0 -69.1 136.0 9.4 7.5 17.9 42 47 A P T 4 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.544 107.6 13.9 -54.2 -11.2 10.3 6.5 21.5 43 48 A K T 4 S+ 0 0 186 2,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.519 138.4 30.4-139.4 -20.1 8.8 3.1 20.8 44 49 A K T 4 S- 0 0 142 1,-0.2 2,-0.6 3,-0.0 -4,-0.0 0.617 76.4-159.6-120.1 -21.2 8.3 2.6 17.1 45 50 A G B < +I 41 0C 23 -4,-1.3 -4,-1.7 2,-0.0 2,-0.6 -0.657 67.2 24.9 78.9-119.7 10.9 4.7 15.3 46 51 A V - 0 0 96 -2,-0.6 -7,-0.3 -6,-0.2 2,-0.2 -0.757 69.7-176.1 -90.4 115.2 10.0 5.5 11.7 47 52 A E > - 0 0 58 -9,-3.4 3,-1.4 -2,-0.6 2,-0.2 -0.493 44.2 -70.1 -99.0 171.1 6.2 5.6 10.9 48 53 A K T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.0 -0.441 121.5 9.8 -67.8 131.7 4.6 6.1 7.5 49 54 A Y T 3> S+ 0 0 47 -2,-0.2 4,-3.2 -3,-0.1 5,-0.3 0.199 93.9 114.7 81.9 -9.2 5.1 9.7 6.3 50 55 A G H <> S+ 0 0 0 -3,-1.4 4,-2.6 -12,-0.3 -11,-0.2 0.936 79.0 46.1 -54.6 -51.4 7.5 10.4 9.1 51 56 A P H > S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.878 113.8 51.0 -59.2 -38.3 10.4 10.9 6.6 52 57 A E H > S+ 0 0 86 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.920 111.5 45.2 -64.5 -47.8 8.0 13.1 4.5 53 58 A A H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 5,-0.2 0.908 114.0 50.3 -65.8 -38.9 7.0 15.3 7.4 54 59 A S H X S+ 0 0 21 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.902 112.1 46.7 -64.1 -44.3 10.6 15.6 8.6 55 60 A A H X S+ 0 0 54 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.883 111.3 53.2 -65.3 -38.7 11.8 16.6 5.1 56 61 A F H X S+ 0 0 48 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.947 113.4 40.4 -62.2 -51.1 8.9 19.1 4.8 57 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.4 0.934 116.8 50.3 -62.5 -48.2 9.7 21.0 8.0 58 63 A K H X S+ 0 0 92 -4,-2.3 4,-2.1 -5,-0.2 5,-0.2 0.924 111.7 48.6 -55.1 -47.4 13.5 20.8 7.4 59 64 A K H X S+ 0 0 124 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.961 112.5 48.8 -58.7 -52.5 12.9 22.2 3.9 60 65 A M H < S+ 0 0 32 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.841 117.1 36.4 -58.3 -47.9 10.7 25.0 5.1 61 66 A V H >< S+ 0 0 3 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.860 116.2 55.0 -78.1 -32.1 12.8 26.4 7.9 62 67 A E H 3< S+ 0 0 92 -4,-2.1 -2,-0.2 -5,-0.4 -1,-0.2 0.824 108.4 47.0 -69.5 -32.8 16.1 25.8 6.1 63 68 A N T 3< S+ 0 0 115 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.511 93.8 111.0 -87.9 -0.7 15.1 27.8 3.0 64 69 A A < - 0 0 25 -3,-0.7 3,-0.2 -4,-0.3 -3,-0.1 -0.373 55.6-156.7 -80.3 148.1 13.8 30.7 5.0 65 70 A K S S+ 0 0 180 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.849 86.5 25.3 -83.3 -40.8 15.2 34.2 5.3 66 71 A K - 0 0 132 -58,-0.0 24,-2.9 -60,-0.0 2,-0.4 -0.986 63.5-166.3-136.0 126.3 13.5 34.9 8.7 67 72 A I E -AE 7 89A 14 -60,-0.6 -60,-1.3 -2,-0.4 2,-0.3 -0.878 13.1-178.4-104.8 139.6 12.4 32.5 11.4 68 73 A E E -AE 6 88A 54 20,-1.9 20,-2.4 -2,-0.4 2,-0.4 -0.972 14.7-144.9-137.7 150.2 10.1 33.8 14.3 69 74 A V E -AE 5 87A 0 -64,-3.3 -64,-1.7 -2,-0.3 2,-0.4 -0.935 6.9-166.2-118.6 143.9 8.7 32.1 17.3 70 75 A E E - E 0 86A 12 16,-2.5 16,-2.6 -2,-0.4 -66,-0.1 -0.909 8.2-157.4-133.0 103.3 5.3 32.7 18.8 71 76 A F E - E 0 85A 19 -2,-0.4 -68,-0.3 -68,-0.4 14,-0.2 -0.387 17.5-132.5 -72.3 153.0 4.6 31.3 22.3 72 77 A D - 0 0 3 12,-0.6 41,-0.2 3,-0.2 -1,-0.1 -0.160 32.6 -84.5 -92.1-160.9 1.0 30.8 23.3 73 78 A K S S+ 0 0 123 39,-0.7 40,-0.2 -2,-0.1 3,-0.1 0.699 103.3 45.7 -81.6 -25.8 -0.8 31.9 26.5 74 79 A G S S- 0 0 17 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.191 109.5 -11.9 -96.2-142.7 -0.0 29.0 29.0 75 80 A Q - 0 0 127 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.233 50.6-155.4 -59.1 147.4 3.2 27.2 29.8 76 81 A R S S+ 0 0 129 -3,-0.1 8,-1.6 -5,-0.1 2,-0.3 0.349 73.6 42.0-107.6 3.5 6.1 27.8 27.4 77 82 A T B S-F 83 0A 77 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.980 73.2-136.5-147.9 141.8 8.2 24.6 27.9 78 83 A D > - 0 0 33 4,-2.0 3,-2.2 -2,-0.3 -2,-0.1 -0.358 45.7 -80.5 -87.3-176.3 7.1 21.0 28.2 79 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.752 129.2 54.1 -61.0 -21.9 8.4 18.5 30.8 80 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.299 121.3-104.4 -93.6 8.0 11.5 17.7 28.7 81 86 A G S < S+ 0 0 47 -3,-2.2 2,-0.4 1,-0.3 -53,-0.3 0.636 72.0 145.2 81.5 15.0 12.4 21.4 28.5 82 87 A R - 0 0 66 -55,-0.1 -4,-2.0 1,-0.1 -53,-0.3 -0.707 53.6-114.3 -88.3 133.4 11.4 22.0 24.9 83 88 A G E -dF 29 77A 0 -55,-2.8 -53,-3.3 -2,-0.4 2,-0.6 -0.393 23.4-141.7 -63.6 144.3 9.9 25.3 24.0 84 89 A L E +d 30 0A 23 -8,-1.6 -12,-0.6 -55,-0.2 2,-0.3 -0.926 45.7 126.8-109.9 108.8 6.2 25.1 23.0 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-2.7 -2,-0.6 2,-0.5 -0.936 62.5-102.6-155.6 173.5 5.5 27.5 20.2 86 91 A Y E - 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