==== 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 1SYC . 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) . 7835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 67.6 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 . 34 25.0 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 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 . 10 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.1 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 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 6 A K 0 0 261 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.0 -1.5 39.6 22.6 2 7 A L - 0 0 46 68,-0.1 2,-0.4 113,-0.0 70,-0.1 -0.685 360.0-153.1 -91.9 154.4 1.2 37.1 21.3 3 8 A H - 0 0 134 68,-0.3 68,-0.6 -2,-0.3 2,-0.3 -0.985 11.2-127.8-135.6 139.4 4.4 38.5 19.9 4 9 A K E -A 70 0A 86 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.673 24.9-164.0 -81.1 136.8 6.7 37.1 17.3 5 10 A E E -A 69 0A 22 64,-2.8 64,-2.8 -2,-0.3 2,-0.1 -0.944 23.3-107.7-124.8 145.5 10.4 37.0 18.3 6 11 A P E +A 68 0A 106 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.341 41.2 168.5 -69.6 153.6 13.4 36.4 16.0 7 12 A A E -A 67 0A 12 60,-1.8 60,-0.7 15,-0.1 2,-0.4 -0.923 26.4-130.7-153.9 165.2 15.3 33.2 16.2 8 13 A T E -B 21 0A 100 13,-1.9 13,-3.1 -2,-0.3 2,-0.2 -0.993 27.5-111.2-126.6 139.0 17.9 31.5 14.0 9 14 A L E +B 20 0A 41 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.468 35.0 169.5 -68.5 135.1 17.8 28.0 12.7 10 15 A I E - 0 0 74 9,-2.5 2,-0.3 -2,-0.2 10,-0.2 0.770 69.2 -31.2-102.0 -61.8 20.4 25.7 14.3 11 16 A K E -B 19 0A 121 8,-2.0 8,-3.0 0, 0.0 2,-0.4 -0.953 48.9-122.8-164.5 141.3 18.9 22.4 12.9 12 17 A A E +B 18 0A 14 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.680 29.5 178.8 -84.0 129.6 15.6 20.8 11.9 13 18 A I - 0 0 51 4,-2.0 2,-0.3 -2,-0.4 5,-0.2 0.795 56.4 -23.8 -98.9 -45.0 15.2 17.6 13.9 14 19 A D S S- 0 0 6 3,-1.9 3,-0.5 40,-0.1 -1,-0.4 -0.880 79.4 -77.2-156.8-178.9 11.8 16.0 12.9 15 20 A G S S+ 0 0 0 22,-0.3 83,-0.1 -2,-0.3 23,-0.1 0.853 131.6 31.4 -61.2 -33.1 8.5 17.2 11.4 16 21 A D S S+ 0 0 4 20,-0.1 15,-2.8 21,-0.1 2,-0.4 0.386 113.2 61.2-106.4 -3.8 7.6 18.6 14.9 17 22 A T E + C 0 30A 9 -3,-0.5 -4,-2.0 13,-0.2 -3,-1.9 -0.999 49.4 172.8-138.2 134.9 10.8 19.7 16.5 18 23 A V E -BC 12 29A 0 11,-2.1 11,-3.8 -2,-0.4 2,-0.5 -0.966 26.3-134.6-136.5 147.0 13.5 22.2 15.5 19 24 A K E +BC 11 28A 70 -8,-3.0 -9,-2.5 -2,-0.3 -8,-2.0 -0.933 34.2 174.9-104.6 127.4 16.6 23.5 17.4 20 25 A L E -BC 9 27A 0 7,-3.0 7,-2.7 -2,-0.5 2,-0.7 -0.861 39.1-116.7-129.2 158.8 16.8 27.3 17.2 21 26 A M E -BC 8 26A 67 -13,-3.1 -13,-1.9 -2,-0.3 2,-0.5 -0.921 43.2-177.5 -95.7 117.5 19.1 30.0 18.7 22 27 A Y E > - C 0 25A 24 3,-3.3 3,-2.5 -2,-0.7 -15,-0.1 -0.998 61.7 -19.8-127.0 122.4 16.6 31.9 20.8 23 28 A K T 3 S- 0 0 145 -2,-0.5 -1,-0.1 -17,-0.5 -16,-0.1 0.899 132.9 -42.2 45.2 54.0 17.7 35.0 22.8 24 29 A G T 3 S+ 0 0 70 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.267 123.1 81.0 82.7 -11.8 21.3 34.0 22.6 25 30 A Q E < S-C 22 0A 132 -3,-2.5 -3,-3.3 -5,-0.0 2,-0.2 -0.958 78.3-106.0-134.5 158.5 21.1 30.3 23.3 26 31 A P E +C 21 0A 80 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.486 44.3 169.6 -70.4 138.2 20.3 27.0 21.6 27 32 A M E -C 20 0A 42 -7,-2.7 -7,-3.0 -2,-0.2 2,-0.4 -0.980 32.5-126.1-152.7 146.1 16.9 25.6 22.4 28 33 A T E -C 19 0A 35 -2,-0.3 55,-2.6 53,-0.3 2,-0.4 -0.824 27.0-159.8 -96.0 133.0 14.7 22.8 21.1 29 34 A F E -Cd 18 83A 0 -11,-3.8 -11,-2.1 -2,-0.4 2,-0.5 -0.940 9.3-155.6-118.3 141.4 11.2 23.8 20.1 30 35 A R E -Cd 17 84A 30 53,-3.1 55,-1.4 -2,-0.4 2,-0.2 -0.973 32.4-114.3-108.9 126.8 8.3 21.5 19.8 31 36 A L E > - d 0 85A 1 -15,-2.8 3,-1.0 -2,-0.5 55,-0.2 -0.467 34.0-118.3 -64.8 131.0 5.6 22.9 17.4 32 37 A L T 3 S+ 0 0 6 53,-2.4 55,-0.1 -2,-0.2 -1,-0.1 -0.278 84.1 3.9 -68.1 153.2 2.4 23.7 19.3 33 38 A L T 3 S+ 0 0 10 75,-0.2 74,-1.4 80,-0.1 2,-0.4 0.528 103.0 104.5 53.0 19.5 -0.8 22.0 18.4 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.984 46.9-166.7-130.4 145.6 0.5 19.6 15.7 35 40 A D E -H 105 0B 69 70,-2.7 70,-2.6 -2,-0.4 -3,-0.0 -0.995 15.3-172.1-124.7 115.3 1.3 15.9 15.8 36 41 A T - 0 0 9 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.811 37.2 -94.2-106.3 153.9 3.3 14.7 12.9 37 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.419 51.4-124.2 -62.4 135.7 4.1 11.1 12.1 38 43 A E - 0 0 65 -2,-0.1 9,-1.9 1,-0.1 12,-0.3 -0.527 21.9-164.0 -87.5 154.5 7.5 10.4 13.7 39 44 A T S S+ 0 0 37 11,-0.2 7,-0.1 7,-0.2 -1,-0.1 0.010 81.3 47.3-117.5 14.7 10.6 9.1 12.0 40 45 A K + 0 0 112 3,-0.1 6,-0.1 10,-0.0 4,-0.1 0.811 62.2 107.6-128.8 -46.5 12.3 8.1 15.3 41 46 A H > - 0 0 97 1,-0.2 4,-1.8 2,-0.2 -3,-0.0 -0.219 59.7-134.1 -55.0 136.9 10.8 6.2 18.2 42 47 A P T 4 S+ 0 0 132 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.453 98.1 78.7 -63.2 -3.0 12.0 2.6 18.7 43 48 A K T 4 S- 0 0 138 2,-0.2 -2,-0.2 1,-0.1 -3,-0.1 -0.972 118.6 -6.6-115.0 110.6 8.3 2.1 19.1 44 49 A K T 4 S- 0 0 163 -2,-0.6 2,-1.0 2,-0.1 -1,-0.1 -0.170 93.6-144.8 92.4 -29.8 6.6 2.0 15.7 45 50 A G < + 0 0 28 -4,-1.8 2,-0.6 1,-0.1 -2,-0.2 -0.698 68.1 1.0 83.6-106.8 9.9 3.0 14.1 46 51 A V S S- 0 0 88 -2,-1.0 -7,-0.2 -7,-0.1 3,-0.1 -0.919 76.6-149.3-127.1 103.0 9.2 5.2 11.2 47 52 A E > - 0 0 65 -9,-1.9 3,-2.1 -2,-0.6 2,-0.0 -0.266 34.7 -85.2 -69.1 151.4 5.5 6.0 10.7 48 53 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.386 118.6 18.5 -61.2 136.5 4.1 6.6 7.2 49 54 A Y T 3> S+ 0 0 35 -3,-0.1 4,-3.0 -13,-0.1 5,-0.3 0.238 93.0 113.8 77.6 -5.7 4.5 10.3 6.2 50 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.6 -12,-0.3 -11,-0.2 0.970 79.5 43.2 -54.6 -57.7 7.2 10.7 8.9 51 56 A P H > S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.865 114.5 50.7 -59.4 -38.6 9.9 11.3 6.4 52 57 A E H > S+ 0 0 96 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.920 111.1 47.0 -67.5 -42.1 7.7 13.6 4.3 53 58 A A H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.925 113.3 50.6 -63.6 -42.0 6.7 15.7 7.4 54 59 A S H X S+ 0 0 23 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.941 112.7 44.2 -59.6 -48.6 10.3 15.9 8.3 55 60 A A H X S+ 0 0 57 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.858 112.5 55.2 -66.1 -36.9 11.4 17.0 4.9 56 61 A F H X S+ 0 0 52 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.973 112.0 40.1 -60.3 -61.5 8.6 19.4 4.8 57 62 A T H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.910 116.3 51.4 -51.9 -48.4 9.5 21.2 8.1 58 63 A K H X S+ 0 0 91 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.941 110.3 48.0 -56.4 -49.2 13.3 21.1 7.2 59 64 A K H X S+ 0 0 143 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.939 111.6 51.2 -59.4 -44.4 12.8 22.6 3.7 60 65 A M H < S+ 0 0 34 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.909 117.2 36.3 -61.7 -45.9 10.6 25.4 5.1 61 66 A V H < S+ 0 0 3 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.797 115.1 55.5 -81.1 -29.0 12.9 26.5 7.9 62 67 A E H < S+ 0 0 91 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.824 111.6 42.1 -72.1 -31.0 16.1 25.9 5.9 63 68 A N S < S+ 0 0 116 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.392 91.1 110.8 -95.0 0.2 15.0 28.1 3.0 64 69 A A - 0 0 21 -3,-0.4 3,-0.1 -4,-0.3 -3,-0.0 -0.487 54.7-158.0 -76.4 146.2 13.6 30.9 5.2 65 70 A K S S+ 0 0 187 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.679 86.4 29.6 -89.2 -26.0 15.3 34.2 5.3 66 71 A K - 0 0 138 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.995 64.4-168.4-138.8 133.4 13.6 34.9 8.7 67 72 A I E -AE 7 89A 15 -60,-0.7 -60,-1.8 -2,-0.4 2,-0.3 -0.952 12.2-174.8-117.5 136.7 12.4 32.5 11.4 68 73 A E E -AE 6 88A 56 20,-2.4 20,-3.2 -2,-0.4 2,-0.4 -0.939 12.1-149.9-132.5 146.7 10.2 33.8 14.2 69 74 A V E -AE 5 87A 0 -64,-2.8 -64,-2.8 -2,-0.3 2,-0.5 -0.942 6.6-166.1-116.6 142.5 8.9 32.1 17.3 70 75 A E E -AE 4 86A 9 16,-2.5 16,-2.9 -2,-0.4 -66,-0.2 -0.959 8.8-152.9-133.3 110.4 5.6 33.0 18.9 71 76 A F E - E 0 85A 24 -68,-0.6 -68,-0.3 -2,-0.5 14,-0.2 -0.492 16.1-135.0 -78.2 155.1 5.0 31.7 22.4 72 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.254 28.5 -96.6 -95.1-170.5 1.3 31.1 23.4 73 78 A K S S+ 0 0 124 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.501 99.5 66.5 -90.0 -7.1 -0.3 32.2 26.7 74 79 A G S S- 0 0 18 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.032 106.2 -27.9 -95.7-157.4 -0.0 28.9 28.5 75 80 A Q - 0 0 94 36,-1.4 -1,-0.3 1,-0.1 -3,-0.2 -0.342 52.8-154.7 -58.8 138.7 3.0 26.9 29.7 76 81 A R S S+ 0 0 132 -3,-0.1 8,-2.6 7,-0.1 2,-0.3 0.548 70.7 40.6 -96.9 -11.9 6.1 27.7 27.6 77 82 A T B S-F 83 0A 73 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.964 71.6-135.5-133.9 149.2 8.1 24.5 28.0 78 83 A D > - 0 0 21 4,-2.3 3,-1.9 -2,-0.3 -2,-0.0 -0.367 44.3 -88.9 -89.5-177.3 7.2 20.8 28.2 79 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.648 127.6 59.0 -68.9 -14.6 8.6 18.4 30.8 80 85 A Y T 3 S- 0 0 178 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.277 120.2-106.7 -93.0 0.5 11.5 17.7 28.4 81 86 A G S < S+ 0 0 49 -3,-1.9 -53,-0.3 1,-0.3 2,-0.3 0.569 71.4 143.8 87.1 6.5 12.6 21.3 28.3 82 87 A R - 0 0 64 -55,-0.1 -4,-2.3 -53,-0.1 -1,-0.3 -0.692 53.3-119.2 -81.6 141.3 11.4 22.0 24.8 83 88 A G E -dF 29 77A 0 -55,-2.6 -53,-3.1 -2,-0.3 2,-0.7 -0.525 22.8-139.8 -75.5 141.0 9.9 25.4 24.1 84 89 A L E +d 30 0A 10 -8,-2.6 -12,-0.6 -2,-0.2 2,-0.3 -0.950 45.5 131.4-106.7 109.6 6.2 25.2 23.0 85 90 A A E -dE 31 71A 0 -55,-1.4 -53,-2.4 -2,-0.7 2,-0.5 -0.951 60.8-104.5-153.5 171.7 5.6 27.7 20.2 86 91 A Y E - 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