==== 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 2F0T . 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) . 7639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 68.9 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 . 36 26.7 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 . 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 . 8 5.9 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 . 3 2.2 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 1 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 7 A L 0 0 95 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 135.2 47.4 11.6 6.7 2 8 A H - 0 0 127 68,-0.2 68,-0.6 69,-0.1 2,-0.3 -0.884 360.0-126.8-114.6 150.6 44.2 10.0 5.4 3 9 A K E -A 69 0A 87 -2,-0.4 66,-0.2 66,-0.2 83,-0.0 -0.690 22.7-169.8 -88.3 136.2 41.6 11.4 3.0 4 10 A E E -A 68 0A 16 64,-2.2 64,-3.0 -2,-0.3 2,-0.0 -0.977 26.4-107.0-127.9 145.1 37.9 11.4 3.9 5 11 A P E +A 67 0A 100 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.283 38.9 171.5 -74.9 154.7 35.0 12.1 1.5 6 12 A A E -A 66 0A 11 60,-1.9 60,-0.7 15,-0.1 2,-0.4 -0.962 23.6-129.7-151.4 168.7 33.0 15.4 1.7 7 13 A T E -B 20 0A 94 13,-1.6 13,-2.9 -2,-0.3 2,-0.1 -0.970 27.8-108.2-129.6 138.5 30.3 17.1 -0.4 8 14 A L E +B 19 0A 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.372 37.6 163.6 -68.6 135.5 30.3 20.6 -1.7 9 15 A I E - 0 0 70 9,-2.2 2,-0.3 1,-0.2 10,-0.2 0.707 68.3 -27.9-109.3 -54.6 27.9 23.0 -0.1 10 16 A K E -B 18 0A 122 8,-2.1 8,-3.3 0, 0.0 2,-0.4 -0.903 47.6-132.1-162.2 131.7 29.2 26.4 -1.2 11 17 A A E -B 17 0A 15 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.788 21.8-174.1 -81.1 131.9 32.5 27.9 -2.2 12 18 A I E - 0 0 45 4,-2.1 2,-0.3 -2,-0.4 5,-0.2 0.822 59.2 -41.0 -97.3 -45.0 32.9 31.2 -0.3 13 19 A D E > S-B 16 0A 9 3,-2.0 3,-0.8 39,-0.1 -1,-0.4 -0.893 85.0 -54.4-160.9-162.8 36.1 32.6 -1.8 14 20 A G T 3 S+ 0 0 0 22,-0.4 23,-0.1 -2,-0.3 83,-0.1 0.799 130.9 19.1 -56.7 -35.5 39.5 31.3 -2.9 15 21 A D T 3 S+ 0 0 4 20,-0.1 15,-2.9 21,-0.1 2,-0.4 0.298 113.0 70.5-127.9 20.3 40.5 29.7 0.3 16 22 A T E < +BC 13 29A 13 -3,-0.8 -4,-2.1 13,-0.2 -3,-2.0 -0.999 53.3 167.4-136.1 127.9 37.3 29.2 2.3 17 23 A V E -BC 11 28A 1 11,-2.1 11,-3.6 -2,-0.4 2,-0.5 -0.987 30.3-132.1-140.4 144.5 34.7 26.6 1.3 18 24 A K E +BC 10 27A 76 -8,-3.3 -9,-2.2 -2,-0.3 -8,-2.1 -0.894 35.0 175.0 -99.0 126.7 31.6 25.2 3.1 19 25 A L E -BC 8 26A 0 7,-3.2 7,-2.7 -2,-0.5 2,-0.7 -0.930 37.9-117.3-129.8 156.7 31.4 21.4 2.9 20 26 A M E +BC 7 25A 70 -13,-2.9 -13,-1.6 -2,-0.3 2,-0.5 -0.831 41.3 178.4 -88.9 114.2 29.2 18.6 4.3 21 27 A Y E > - C 0 24A 34 3,-2.5 3,-1.8 -2,-0.7 -15,-0.1 -0.986 64.5 -18.3-128.8 121.3 31.7 16.5 6.4 22 28 A K T 3 S- 0 0 146 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.856 130.8 -48.3 44.4 52.8 30.5 13.4 8.3 23 29 A G T 3 S+ 0 0 67 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.228 119.7 93.0 80.3 -5.5 26.9 14.6 8.1 24 30 A Q E < S-C 21 0A 133 -3,-1.8 -3,-2.5 -5,-0.0 2,-0.2 -0.882 77.0-110.0-121.7 150.6 27.3 18.2 9.2 25 31 A P E +C 20 0A 59 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.569 45.3 174.9 -70.8 140.3 27.8 21.6 7.4 26 32 A M E -C 19 0A 43 -7,-2.7 -7,-3.2 -2,-0.2 2,-0.5 -0.988 30.1-132.1-146.9 138.9 31.3 22.8 8.1 27 33 A T E -C 18 0A 41 -2,-0.3 55,-2.4 -9,-0.3 2,-0.4 -0.772 26.7-161.4 -87.5 129.1 33.4 25.8 6.9 28 34 A F E -Cd 17 82A 0 -11,-3.6 -11,-2.1 -2,-0.5 2,-0.5 -0.915 10.7-155.0-114.7 139.3 37.0 24.8 5.8 29 35 A R E -Cd 16 83A 38 53,-3.1 55,-1.6 -2,-0.4 2,-0.3 -0.923 31.7-114.8-105.0 130.9 40.0 27.1 5.5 30 36 A L E > - d 0 84A 1 -15,-2.9 3,-0.8 -2,-0.5 55,-0.2 -0.577 34.1-119.4 -71.3 129.3 42.6 25.8 3.0 31 37 A L T 3 S+ 0 0 14 53,-2.2 55,-0.1 -2,-0.3 -1,-0.1 -0.366 82.1 3.7 -66.1 140.2 45.9 24.9 4.8 32 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.6 80,-0.1 2,-0.4 0.395 106.8 93.5 76.5 4.4 49.2 26.6 4.0 33 39 A V E < -H 105 0B 0 -3,-0.8 2,-0.5 72,-0.3 72,-0.2 -0.966 50.8-161.6-132.2 148.4 47.9 29.1 1.4 34 40 A D E -H 104 0B 64 70,-2.6 70,-2.5 -2,-0.4 3,-0.0 -0.985 13.1-170.7-120.1 120.4 46.7 32.7 1.2 35 41 A T - 0 0 9 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.734 39.6 -88.8-101.1 156.8 44.6 33.8 -1.8 36 42 A P - 0 0 17 0, 0.0 -22,-0.4 0, 0.0 2,-0.2 -0.400 53.3-112.5 -61.7 148.0 43.7 37.4 -2.4 37 43 A E - 0 0 47 1,-0.1 9,-2.7 2,-0.1 12,-0.2 -0.513 22.0-165.1 -85.5 138.8 40.4 38.3 -0.7 38 44 A T S S+ 0 0 36 7,-0.2 2,-0.1 -2,-0.2 -1,-0.1 0.709 82.6 27.6 -93.4 -21.7 37.1 39.2 -2.3 39 45 A K S >S+ 0 0 119 6,-0.1 5,-1.0 3,-0.1 7,-0.2 -0.405 71.2 93.1-117.7-155.7 35.8 40.6 1.0 40 46 A H T >5 - 0 0 86 3,-0.2 4,-1.4 -2,-0.1 -3,-0.1 0.769 58.6-130.5 74.2 114.4 37.1 42.2 4.2 41 47 A P T 45S+ 0 0 124 0, 0.0 2,-2.3 0, 0.0 4,-0.1 0.903 105.3 76.5 -59.8 -42.7 37.2 46.0 4.4 42 48 A K T 45S- 0 0 160 1,-0.1 2,-0.4 2,-0.1 -3,-0.1 -0.609 127.8 -4.7 -66.2 87.7 40.7 45.6 5.7 43 49 A K T 45S- 0 0 113 -2,-2.3 2,-0.4 2,-0.1 -3,-0.2 -0.973 86.2-158.5 123.1-101.9 41.4 44.9 2.0 44 50 A G << - 0 0 26 -4,-1.4 2,-0.7 -5,-1.0 -2,-0.1 -0.997 68.7 -13.8 126.9-125.8 38.1 44.9 -0.1 45 51 A V S S- 0 0 101 -2,-0.4 -7,-0.2 -4,-0.1 2,-0.1 -0.913 81.0-159.5 -98.4 100.1 38.2 43.0 -3.4 46 52 A E > - 0 0 74 -9,-2.7 3,-1.7 -2,-0.7 2,-0.1 -0.434 31.5 -81.0 -80.0 162.6 42.0 42.6 -3.9 47 53 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.397 118.1 15.4 -61.8 132.7 43.5 41.9 -7.4 48 54 A Y T 3> S+ 0 0 36 -2,-0.1 4,-3.4 -3,-0.1 5,-0.3 0.267 96.3 111.1 79.3 -4.4 43.2 38.2 -8.4 49 55 A G H <> S+ 0 0 0 -3,-1.7 4,-2.8 -12,-0.2 5,-0.2 0.967 77.6 44.6 -62.5 -52.5 40.7 37.7 -5.7 50 56 A P H > S+ 0 0 63 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.914 116.7 49.6 -56.3 -38.8 37.7 37.1 -8.0 51 57 A E H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 111.4 46.1 -65.3 -47.8 40.0 34.9 -10.1 52 58 A A H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 5,-0.3 0.915 114.6 50.9 -60.8 -38.9 41.2 32.9 -7.1 53 59 A S H X S+ 0 0 20 -4,-2.8 4,-2.1 -5,-0.3 -2,-0.2 0.915 110.9 45.4 -68.3 -41.7 37.6 32.6 -6.0 54 60 A A H X S+ 0 0 38 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.899 110.4 55.6 -71.3 -33.2 36.3 31.4 -9.3 55 61 A F H X S+ 0 0 55 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.948 110.4 43.4 -64.1 -46.7 39.1 28.9 -9.7 56 62 A T H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 5,-0.3 0.947 115.3 51.4 -61.7 -42.8 38.4 27.2 -6.3 57 63 A K H X S+ 0 0 77 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.948 111.0 45.7 -57.0 -49.7 34.7 27.3 -7.1 58 64 A K H X S+ 0 0 92 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.902 110.5 52.2 -65.9 -40.5 35.0 25.7 -10.5 59 65 A M H < S+ 0 0 40 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.897 115.9 42.6 -62.2 -37.3 37.4 22.9 -9.5 60 66 A L H >< S+ 0 0 4 -4,-1.9 3,-1.1 -5,-0.2 -2,-0.2 0.887 112.6 50.1 -77.4 -38.2 35.0 22.0 -6.7 61 67 A E H 3< S+ 0 0 87 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.779 113.4 46.0 -75.3 -19.6 31.7 22.2 -8.6 62 68 A N T 3< S+ 0 0 128 -4,-1.6 -1,-0.2 -5,-0.2 2,-0.2 0.157 89.5 117.0-103.6 10.4 33.0 20.1 -11.5 63 69 A A < - 0 0 25 -3,-1.1 3,-0.1 1,-0.1 -3,-0.0 -0.548 53.3-157.2 -84.4 148.8 34.5 17.4 -9.4 64 70 A K S S+ 0 0 186 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.858 87.0 18.1 -77.3 -47.5 33.4 13.8 -9.3 65 71 A K - 0 0 146 -58,-0.0 24,-2.5 2,-0.0 2,-0.4 -0.995 65.4-163.2-131.1 133.2 34.8 13.3 -5.8 66 72 A I E -AE 6 88A 16 -60,-0.7 -60,-1.9 -2,-0.4 2,-0.4 -0.950 14.2-177.2-113.3 138.0 35.9 15.8 -3.1 67 73 A E E -AE 5 87A 52 20,-2.2 20,-2.6 -2,-0.4 2,-0.4 -0.974 14.3-150.1-132.4 149.2 38.1 14.7 -0.3 68 74 A V E -AE 4 86A 0 -64,-3.0 -64,-2.2 -2,-0.4 2,-0.5 -0.935 7.5-166.0-117.9 143.6 39.5 16.5 2.8 69 75 A E E -AE 3 85A 8 16,-2.5 16,-2.9 -2,-0.4 -66,-0.2 -0.961 8.2-152.8-129.4 112.2 42.8 15.7 4.4 70 76 A F E - E 0 84A 19 -68,-0.6 14,-0.2 -2,-0.5 -68,-0.2 -0.457 16.9-131.3 -77.0 156.3 43.6 17.0 7.9 71 77 A D - 0 0 3 12,-0.6 41,-0.1 3,-0.2 -69,-0.1 -0.189 33.3 -88.8 -93.7-164.2 47.2 17.5 8.9 72 78 A K S S+ 0 0 123 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.578 103.2 61.5 -84.2 -12.7 49.0 16.3 12.1 73 79 A G S S- 0 0 13 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.119 106.6 -29.9 -96.1-154.4 48.2 19.4 14.2 74 80 A Q - 0 0 144 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.338 50.6-149.9 -62.9 148.2 45.0 21.1 15.3 75 81 A R S S+ 0 0 124 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.481 73.8 42.6-105.0 -2.4 42.2 20.6 12.9 76 82 A T B S-F 82 0A 68 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.983 72.0-137.0-136.7 152.8 40.1 23.8 13.5 77 83 A D > - 0 0 30 4,-1.8 3,-2.0 -2,-0.3 -2,-0.0 -0.327 44.8 -82.6 -97.3-171.2 41.2 27.4 13.9 78 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.674 128.7 57.1 -72.6 -11.5 39.9 30.0 16.4 79 85 A Y T 3 S- 0 0 170 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.385 120.3-106.7 -95.9 2.3 36.9 30.7 14.1 80 86 A G S < S+ 0 0 48 -3,-2.0 2,-0.3 1,-0.3 -53,-0.2 0.558 71.2 146.0 83.6 8.8 35.8 27.1 14.1 81 87 A R - 0 0 59 -55,-0.1 -4,-1.8 1,-0.1 -1,-0.3 -0.615 53.0-115.5 -79.9 137.7 37.0 26.5 10.5 82 88 A G E -dF 28 76A 0 -55,-2.4 -53,-3.1 -2,-0.3 2,-0.6 -0.384 23.6-141.7 -60.7 138.7 38.4 23.0 9.6 83 89 A L E +d 29 0A 24 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.925 44.8 134.4-109.1 110.0 42.1 23.3 8.6 84 90 A A E -dE 30 70A 0 -55,-1.6 -53,-2.2 -2,-0.6 2,-0.5 -0.962 59.8-110.8-154.3 162.4 42.6 20.9 5.7 85 91 A Y E - 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