==== 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 06-JUL-96 1SNQ . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.M.TRUCKSES,J.R.SOMOZA,J.L.MARKLEY . 130 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7172.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 25.4 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 3.1 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.5 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 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 0 234 0, 0.0 66,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.3 22.9 -15.2 -24.3 2 7 A L - 0 0 25 63,-0.1 2,-0.3 1,-0.0 65,-0.1 -0.181 360.0-151.8 -72.5 169.4 25.8 -12.9 -23.1 3 8 A H - 0 0 119 63,-0.4 63,-0.4 61,-0.0 2,-0.3 -0.998 10.0-125.5-147.3 144.3 28.9 -14.3 -21.6 4 9 A K - 0 0 91 -2,-0.3 61,-0.2 61,-0.1 78,-0.1 -0.687 22.9-167.0 -90.5 145.8 31.5 -12.9 -19.1 5 10 A E E -A 64 0A 35 59,-1.9 59,-2.8 -2,-0.3 2,-0.1 -0.966 24.5-108.3-133.0 143.8 35.2 -12.8 -19.8 6 11 A P E +A 63 0A 104 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.395 38.7 171.0 -70.0 150.5 38.1 -12.2 -17.5 7 12 A A E -A 62 0A 12 55,-1.6 55,-0.7 15,-0.1 2,-0.4 -0.908 26.2-129.8-149.8 164.9 40.0 -8.9 -17.7 8 13 A T E -B 21 0A 92 13,-1.3 13,-2.2 -2,-0.3 2,-0.2 -0.991 27.0-114.6-124.4 131.2 42.7 -7.3 -15.5 9 14 A L E +B 20 0A 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.492 38.1 166.0 -66.3 131.5 42.5 -3.8 -14.2 10 15 A I E - 0 0 77 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.750 67.9 -20.5-105.6 -55.2 45.1 -1.5 -15.6 11 16 A K E -B 19 0A 130 8,-2.0 8,-3.0 0, 0.0 2,-0.5 -0.945 52.8-133.8-161.3 130.4 43.7 1.9 -14.6 12 17 A A E -B 18 0A 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.747 22.2-175.6 -85.1 129.7 40.3 3.4 -13.5 13 18 A I - 0 0 76 4,-1.6 2,-0.3 -2,-0.5 5,-0.2 0.899 50.4 -48.9 -94.4 -53.1 39.7 6.6 -15.4 14 19 A D S S- 0 0 17 3,-2.2 3,-0.5 34,-0.1 -1,-0.3 -0.868 78.6 -48.7-162.1-163.6 36.5 8.0 -14.1 15 20 A G S S+ 0 0 0 22,-0.3 78,-0.1 -2,-0.3 23,-0.1 0.862 132.9 17.4 -49.7 -42.6 32.9 7.2 -13.2 16 21 A D S S+ 0 0 13 20,-0.1 15,-2.9 1,-0.1 2,-0.4 0.335 114.0 72.8-117.6 10.7 32.1 5.5 -16.6 17 22 A T E + C 0 30A 11 -3,-0.5 -3,-2.2 13,-0.2 -4,-1.6 -0.992 49.1 172.4-133.0 132.1 35.4 4.7 -18.1 18 23 A V E -BC 12 29A 0 11,-2.1 11,-3.6 -2,-0.4 2,-0.6 -0.969 24.6-136.6-136.7 143.8 37.9 2.0 -17.1 19 24 A K E +BC 11 28A 50 -8,-3.0 -9,-2.7 -2,-0.3 -8,-2.0 -0.926 33.2 169.6-106.6 121.3 41.2 0.7 -18.7 20 25 A L E -BC 9 27A 0 7,-3.1 7,-2.8 -2,-0.6 2,-0.8 -0.799 42.1-115.5-128.5 164.0 41.6 -3.1 -18.8 21 26 A M E +BC 8 26A 76 -13,-2.2 -13,-1.3 -2,-0.3 2,-0.5 -0.930 42.1 178.7 -99.5 107.5 43.9 -5.8 -20.3 22 27 A Y E > - C 0 25A 23 3,-3.1 3,-1.8 -2,-0.8 -15,-0.1 -0.987 66.8 -13.7-116.5 119.6 41.4 -7.6 -22.4 23 28 A K T 3 S- 0 0 145 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.943 127.7 -54.9 54.5 50.0 42.7 -10.5 -24.5 24 29 A G T 3 S+ 0 0 66 -3,-0.1 -1,-0.3 1,-0.1 -17,-0.0 0.290 121.9 100.5 71.9 -14.0 46.3 -9.5 -23.9 25 30 A Q E < S-C 22 0A 104 -3,-1.8 -3,-3.1 2,-0.0 2,-0.2 -0.829 75.8-121.9-108.6 137.8 45.7 -6.0 -25.2 26 31 A P E +C 21 0A 80 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.599 42.6 170.8 -72.9 144.9 45.2 -2.9 -23.0 27 32 A M E -C 20 0A 36 -7,-2.8 -7,-3.1 -2,-0.2 2,-0.4 -0.992 33.1-124.5-157.9 146.4 41.8 -1.3 -23.8 28 33 A T E -C 19 0A 34 -2,-0.3 50,-2.8 48,-0.3 2,-0.4 -0.815 25.8-158.1 -96.9 132.8 39.5 1.4 -22.5 29 34 A F E -Cd 18 78A 0 -11,-3.6 -11,-2.1 -2,-0.4 2,-0.5 -0.906 8.7-151.9-114.6 138.4 35.9 0.4 -21.7 30 35 A R E -Cd 17 79A 34 48,-3.4 50,-1.3 -2,-0.4 -13,-0.2 -0.964 32.1-116.8-107.0 119.2 33.0 2.7 -21.5 31 36 A L E > - d 0 80A 1 -15,-2.9 3,-0.8 -2,-0.5 50,-0.2 -0.408 33.4-116.6 -58.1 126.5 30.4 1.3 -19.1 32 37 A L T 3 S+ 0 0 7 48,-2.8 50,-0.1 1,-0.2 -1,-0.1 -0.389 82.2 2.2 -71.3 145.1 27.1 0.5 -20.9 33 38 A L T 3 S+ 0 0 10 70,-0.2 69,-1.2 1,-0.1 2,-0.3 0.604 100.6 105.7 57.9 28.4 23.8 2.3 -20.1 34 39 A V E < -H 101 0B 0 -3,-0.8 2,-0.4 67,-0.3 67,-0.2 -0.969 47.8-162.6-136.9 146.4 25.0 4.8 -17.4 35 40 A D E -H 100 0B 69 65,-2.0 65,-1.4 -2,-0.3 3,-0.1 -0.849 16.3-174.2-128.7 94.1 25.7 8.5 -17.4 36 41 A T - 0 0 12 -2,-0.4 63,-0.2 63,-0.2 2,-0.1 -0.524 37.1 -92.6 -86.5 154.1 27.8 9.6 -14.5 37 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 11,-0.1 -0.447 49.2-102.8 -66.4 138.5 28.5 13.3 -13.8 38 43 A E 0 0 98 -2,-0.1 4,-3.1 1,-0.1 7,-0.3 -0.405 360.0 360.0 -66.3 133.9 31.7 14.6 -15.4 39 44 A T 0 0 69 6,-0.3 -1,-0.1 2,-0.2 4,-0.1 -0.355 360.0 360.0 -60.4 360.0 34.6 14.9 -13.0 40 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 41 51 A V 0 0 145 0, 0.0 -2,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 120.1 33.7 19.2 -12.3 42 52 A E > - 0 0 108 -4,-3.1 3,-2.0 1,-0.1 2,-0.2 -0.619 360.0 -80.6 -93.8 161.3 29.9 18.5 -12.1 43 53 A K T 3 S+ 0 0 133 1,-0.3 -1,-0.1 -2,-0.2 -5,-0.0 -0.450 118.9 10.6 -65.3 127.1 28.2 17.8 -8.8 44 54 A Y T 3> S+ 0 0 49 -2,-0.2 4,-1.8 -8,-0.1 -1,-0.3 0.435 94.0 115.7 81.7 6.8 28.8 14.1 -7.9 45 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.0 -7,-0.3 -6,-0.3 0.948 77.6 43.0 -71.6 -50.3 31.4 13.5 -10.5 46 56 A P H > S+ 0 0 57 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.786 113.0 55.7 -69.6 -17.8 34.4 12.9 -8.2 47 57 A E H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.906 107.8 46.6 -75.9 -41.6 32.1 10.7 -6.1 48 58 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.848 113.9 50.0 -67.8 -33.3 31.1 8.5 -9.0 49 59 A S H X S+ 0 0 17 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.922 110.2 48.5 -69.4 -45.9 34.8 8.3 -10.0 50 60 A A H X S+ 0 0 55 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.888 113.7 49.3 -59.4 -41.0 35.9 7.3 -6.4 51 61 A F H X S+ 0 0 51 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.955 113.8 42.3 -63.5 -57.7 33.1 4.7 -6.4 52 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.966 117.3 49.7 -55.5 -48.6 34.0 3.1 -9.7 53 63 A K H X S+ 0 0 104 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.904 113.0 45.5 -55.7 -49.2 37.7 3.3 -8.8 54 64 A K H X S+ 0 0 141 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.912 110.6 53.6 -63.3 -43.1 37.2 1.8 -5.4 55 65 A M H < S+ 0 0 37 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.843 116.8 36.8 -63.2 -36.6 35.0 -1.0 -6.7 56 66 A V H < S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.802 113.6 53.7 -88.3 -31.4 37.5 -2.1 -9.4 57 67 A E H < S+ 0 0 105 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.788 112.1 46.3 -73.7 -26.8 40.7 -1.7 -7.5 58 68 A N S < S+ 0 0 116 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.602 90.3 105.6 -91.5 -10.7 39.5 -3.8 -4.6 59 69 A A - 0 0 22 -4,-0.3 3,-0.1 -3,-0.2 -3,-0.0 -0.387 56.0-157.0 -73.1 142.3 38.1 -6.6 -6.7 60 70 A K S S+ 0 0 187 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.698 87.0 35.1 -83.4 -27.6 39.9 -10.0 -6.9 61 71 A K - 0 0 135 -53,-0.0 24,-3.2 2,-0.0 2,-0.4 -0.980 63.4-172.4-137.1 125.7 38.2 -10.6 -10.2 62 72 A I E +AE 7 84A 12 -55,-0.7 -55,-1.6 -2,-0.4 2,-0.4 -0.899 11.7 179.9-111.1 139.1 37.1 -8.3 -13.0 63 73 A E E -AE 6 83A 59 20,-2.3 20,-3.5 -2,-0.4 2,-0.4 -0.994 13.9-148.6-140.8 143.6 35.0 -9.6 -15.8 64 74 A V E -AE 5 82A 0 -59,-2.8 -59,-1.9 -2,-0.4 2,-0.4 -0.905 6.3-165.6-114.4 143.7 33.6 -7.8 -18.9 65 75 A E E - E 0 81A 13 16,-1.9 16,-2.4 -2,-0.4 -61,-0.1 -0.913 6.5-156.3-136.0 105.5 30.4 -8.5 -20.7 66 76 A F E - E 0 80A 26 -2,-0.4 -63,-0.4 -63,-0.4 14,-0.2 -0.414 19.3-133.1 -72.1 152.0 29.7 -7.2 -24.2 67 77 A D - 0 0 2 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.249 29.8 -92.5 -94.5-168.3 26.0 -6.9 -25.2 68 78 A K S S+ 0 0 125 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.629 102.8 66.2 -84.5 -13.1 24.4 -8.0 -28.4 69 79 A G S S- 0 0 18 1,-0.2 2,-0.2 36,-0.1 38,-0.2 0.216 106.2 -30.1 -86.8-150.8 24.8 -4.7 -30.1 70 80 A Q - 0 0 88 36,-1.2 -1,-0.2 35,-0.1 -3,-0.2 -0.486 50.7-152.3 -67.7 134.1 27.8 -2.7 -31.3 71 81 A R S S+ 0 0 121 -2,-0.2 8,-2.7 -3,-0.1 2,-0.3 0.460 70.5 35.6 -90.9 -6.2 30.9 -3.4 -29.1 72 82 A T B -F 78 0A 74 6,-0.3 6,-0.2 -43,-0.1 2,-0.2 -0.981 68.7-135.3-144.5 155.1 32.8 -0.2 -29.6 73 83 A D > - 0 0 11 4,-1.7 3,-2.2 -2,-0.3 -2,-0.0 -0.484 44.8 -85.7 -98.1-178.9 32.0 3.5 -29.9 74 84 A K T 3 S+ 0 0 135 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.715 127.7 56.2 -61.9 -21.5 33.5 6.0 -32.4 75 85 A Y T 3 S- 0 0 189 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.329 120.3-107.9 -91.7 5.0 36.5 6.7 -30.0 76 86 A G < + 0 0 51 -3,-2.2 2,-0.3 1,-0.3 -48,-0.3 0.616 68.7 148.3 80.2 12.6 37.4 3.0 -30.0 77 87 A R - 0 0 67 -50,-0.1 -4,-1.7 1,-0.1 -1,-0.3 -0.686 51.4-115.8 -82.3 132.3 36.2 2.4 -26.4 78 88 A G E -dF 29 72A 0 -50,-2.8 -48,-3.4 -2,-0.3 2,-0.7 -0.425 23.5-139.7 -66.1 138.1 34.8 -1.1 -25.7 79 89 A L E +d 30 0A 9 -8,-2.7 -12,-0.6 -50,-0.2 2,-0.3 -0.888 46.7 122.1-105.7 107.9 31.1 -1.0 -24.8 80 90 A A E -dE 31 66A 0 -50,-1.3 -48,-2.8 -2,-0.7 2,-0.5 -0.924 62.7 -98.3-155.3 175.3 30.3 -3.4 -21.9 81 91 A Y E - 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