==== 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 09-NOV-05 2EY2 . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 64.0 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 . 33 24.3 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 . 6 4.4 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 . 27 19.9 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 0 207 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.9 25.6 -15.4 8.3 2 7 A L - 0 0 17 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.349 360.0-176.0 -67.5 154.2 23.5 -12.7 6.6 3 8 A H - 0 0 113 68,-0.3 68,-0.5 69,-0.1 2,-0.4 -0.998 22.9-115.4-152.0 154.0 20.4 -14.0 4.8 4 9 A K - 0 0 81 -2,-0.3 66,-0.2 66,-0.1 83,-0.0 -0.674 24.0-167.0 -91.8 137.5 17.6 -12.7 2.6 5 10 A E E -A 69 0A 28 64,-2.9 64,-3.2 -2,-0.4 2,-0.1 -0.921 26.6-106.1-118.5 151.4 14.0 -12.7 3.6 6 11 A P E +A 68 0A 102 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.276 39.5 171.0 -72.7 152.4 11.0 -12.0 1.3 7 12 A A E -A 67 0A 11 60,-1.8 60,-0.7 15,-0.1 2,-0.4 -0.969 24.9-128.5-151.9 166.8 9.0 -8.8 1.5 8 13 A T E -B 21 0A 94 13,-1.7 13,-3.3 -2,-0.3 58,-0.0 -0.970 27.5-111.1-125.4 134.5 6.3 -7.2 -0.5 9 14 A L E +B 20 0A 50 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.325 35.3 167.3 -63.1 138.5 6.3 -3.7 -1.9 10 15 A I E - 0 0 70 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.657 67.2 -38.9-107.7 -63.6 3.9 -1.2 -0.4 11 16 A K E -B 19 0A 118 8,-1.8 8,-3.2 0, 0.0 2,-0.3 -0.952 47.5-116.7-163.0 148.6 5.3 2.0 -1.9 12 17 A A E +B 18 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.647 29.2 178.2 -78.0 134.4 8.5 3.7 -2.8 13 18 A I - 0 0 45 4,-2.4 2,-0.2 1,-0.4 5,-0.2 0.840 57.8 -20.6-106.1 -46.7 8.9 6.9 -0.7 14 19 A D S S- 0 0 7 3,-2.1 -1,-0.4 39,-0.1 3,-0.3 -0.788 79.9 -75.9-146.2-176.7 12.3 8.4 -1.7 15 20 A G S S+ 0 0 1 22,-0.4 23,-0.1 -2,-0.2 83,-0.1 0.859 132.4 22.5 -56.8 -39.9 15.6 7.4 -3.3 16 21 A D S S+ 0 0 4 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.286 114.4 71.6-121.6 19.3 16.6 5.7 -0.1 17 22 A T E + C 0 30A 13 -3,-0.3 -4,-2.4 13,-0.2 -3,-2.1 -0.992 50.1 169.8-133.4 128.7 13.3 4.9 1.7 18 23 A V E -BC 12 29A 1 11,-2.3 11,-3.6 -2,-0.4 2,-0.5 -0.997 28.5-133.7-135.5 144.5 10.7 2.3 0.8 19 24 A K E +BC 11 28A 69 -8,-3.2 -9,-2.3 -2,-0.4 -8,-1.8 -0.879 34.7 176.4 -95.4 126.2 7.6 1.0 2.6 20 25 A L E -BC 9 27A 0 7,-2.7 7,-2.2 -2,-0.5 2,-0.6 -0.911 36.0-120.6-129.0 152.1 7.5 -2.8 2.5 21 26 A M E +BC 8 26A 68 -13,-3.3 -13,-1.7 -2,-0.3 2,-0.5 -0.836 41.3 177.8 -89.9 120.6 5.2 -5.6 4.0 22 27 A Y E > - C 0 25A 13 3,-2.5 3,-2.1 -2,-0.6 -15,-0.1 -0.977 63.0 -16.7-135.1 123.8 7.5 -7.7 6.1 23 28 A K T 3 S- 0 0 159 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.842 131.4 -50.9 49.8 39.6 6.5 -10.7 8.1 24 29 A G T 3 S+ 0 0 66 1,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.340 118.7 95.5 87.8 -4.3 3.0 -9.4 7.8 25 30 A Q E < S-C 22 0A 100 -3,-2.1 -3,-2.5 2,-0.0 -1,-0.1 -0.947 74.6-112.2-127.0 145.7 3.4 -5.8 8.9 26 31 A P E +C 21 0A 84 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.473 44.3 171.5 -67.7 137.7 3.9 -2.5 7.1 27 32 A M E -C 20 0A 39 -7,-2.2 -7,-2.7 -2,-0.1 2,-0.5 -0.990 33.3-128.0-146.6 144.3 7.3 -1.1 7.8 28 33 A T E -C 19 0A 39 -2,-0.3 55,-2.2 53,-0.3 2,-0.4 -0.807 28.1-157.7 -87.4 128.3 9.4 1.8 6.5 29 34 A F E -Cd 18 83A 0 -11,-3.6 -11,-2.3 -2,-0.5 2,-0.4 -0.922 8.0-156.3-110.5 137.5 12.9 0.7 5.4 30 35 A R E -Cd 17 84A 33 53,-3.0 55,-1.6 -2,-0.4 2,-0.4 -0.928 30.7-115.8-102.7 130.1 15.9 3.0 5.1 31 36 A L E > - d 0 85A 1 -15,-2.7 3,-1.0 -2,-0.4 55,-0.2 -0.561 33.9-117.0 -71.8 126.4 18.5 1.6 2.7 32 37 A L T 3 S+ 0 0 15 53,-2.3 55,-0.1 -2,-0.4 -1,-0.1 -0.347 83.3 2.0 -63.5 138.6 21.8 0.8 4.6 33 38 A L T 3 S+ 0 0 13 75,-0.2 74,-2.4 1,-0.1 2,-0.4 0.362 104.8 100.2 78.9 3.9 25.0 2.6 3.8 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.949 49.9-161.1-128.2 146.4 23.7 5.1 1.2 35 40 A D E -H 105 0B 74 70,-2.3 70,-2.5 -2,-0.4 3,-0.0 -0.982 14.2-169.9-119.1 116.1 22.7 8.7 1.1 36 41 A C - 0 0 11 -2,-0.5 68,-0.2 68,-0.2 2,-0.1 -0.679 35.8 -96.6 -91.5 151.3 20.5 9.9 -1.8 37 42 A P - 0 0 18 0, 0.0 -22,-0.4 0, 0.0 2,-0.2 -0.446 53.6-112.5 -63.8 147.1 19.7 13.5 -2.5 38 43 A E - 0 0 38 1,-0.1 9,-2.6 -2,-0.1 12,-0.2 -0.520 30.7-173.6 -89.7 147.9 16.3 14.3 -0.9 39 44 A T S S+ 0 0 30 7,-0.2 2,-0.3 11,-0.2 -1,-0.1 0.563 100.2 29.8-102.4 -27.7 12.9 15.1 -2.4 40 45 A K S S- 0 0 126 10,-0.1 -1,-0.2 6,-0.0 6,-0.1 -0.650 87.9-178.4-128.9 78.0 11.5 15.9 1.1 41 46 A H - 0 0 53 4,-0.3 5,-0.1 -2,-0.3 0, 0.0 -0.638 36.6-124.4 -84.5 134.4 14.6 17.1 3.0 42 47 A P S S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.774 104.9 6.2 -37.9 -41.5 14.3 18.1 6.7 43 48 A K S S+ 0 0 173 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.781 137.6 24.9-109.5 -78.0 15.8 21.5 5.7 44 49 A K S S- 0 0 136 1,-0.2 2,-0.4 -4,-0.0 0, 0.0 0.975 81.1-154.9 -60.1 -72.2 16.3 22.3 2.0 45 50 A G + 0 0 14 -7,-0.0 2,-1.2 0, 0.0 -4,-0.3 -0.941 62.2 32.8 134.7-112.4 13.8 20.1 0.2 46 51 A V S S- 0 0 97 -2,-0.4 -7,-0.2 -6,-0.1 2,-0.1 -0.682 73.7-169.3 -88.7 93.2 14.1 18.9 -3.4 47 52 A E > - 0 0 50 -9,-2.6 3,-1.9 -2,-1.2 2,-0.2 -0.403 35.0 -79.1 -79.3 158.5 17.9 18.5 -4.0 48 53 A K T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.387 119.8 12.9 -60.6 126.8 19.6 18.0 -7.3 49 54 A Y T 3> S+ 0 0 42 -2,-0.2 4,-3.0 -3,-0.1 5,-0.3 0.275 98.5 113.4 81.7 -4.1 19.3 14.3 -8.5 50 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.5 -12,-0.2 5,-0.3 0.981 76.6 42.9 -56.5 -58.5 16.7 13.9 -5.8 51 56 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.882 116.9 50.0 -61.4 -32.4 13.8 13.3 -8.2 52 57 A E H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.902 109.4 48.2 -70.9 -42.5 16.1 11.1 -10.3 53 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.920 114.4 49.2 -58.5 -42.6 17.3 8.9 -7.3 54 59 A S H X S+ 0 0 22 -4,-2.5 4,-1.8 -5,-0.3 -2,-0.2 0.907 109.4 49.2 -71.3 -35.9 13.8 8.6 -6.3 55 60 A A H X S+ 0 0 46 -4,-2.0 4,-2.6 -5,-0.3 5,-0.3 0.879 110.2 53.9 -68.7 -32.3 12.5 7.6 -9.8 56 61 A F H X S+ 0 0 58 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.961 111.0 42.6 -65.8 -52.5 15.3 5.0 -10.0 57 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.930 114.4 53.4 -59.3 -39.0 14.5 3.2 -6.7 58 63 A K H X S+ 0 0 75 -4,-1.8 4,-2.8 -5,-0.3 5,-0.2 0.964 111.8 42.6 -64.5 -47.2 10.8 3.4 -7.5 59 64 A K H X S+ 0 0 105 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.912 113.0 54.5 -66.3 -38.1 11.1 1.8 -11.0 60 65 A M H < S+ 0 0 36 -4,-2.3 4,-0.3 -5,-0.3 -1,-0.2 0.932 116.3 35.3 -66.8 -39.3 13.5 -0.8 -9.7 61 66 A V H >< S+ 0 0 8 -4,-2.7 3,-0.8 -5,-0.2 -1,-0.2 0.881 117.0 52.8 -86.0 -27.2 11.2 -1.9 -6.9 62 67 A E H 3< S+ 0 0 82 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.848 111.4 46.8 -70.0 -31.2 8.0 -1.5 -8.8 63 68 A N T 3< S+ 0 0 128 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.387 90.7 108.6 -89.4 0.5 9.2 -3.6 -11.7 64 69 A A < - 0 0 27 -3,-0.8 3,-0.1 -4,-0.3 -3,-0.0 -0.433 56.6-153.6 -83.9 154.4 10.6 -6.5 -9.7 65 70 A K S S+ 0 0 188 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.835 87.6 22.8 -81.7 -39.0 9.2 -10.0 -9.5 66 71 A K - 0 0 104 -58,-0.0 24,-3.0 2,-0.0 2,-0.4 -1.000 63.8-165.8-132.6 130.3 10.7 -10.6 -6.1 67 72 A I E -AE 7 89A 17 -60,-0.7 -60,-1.8 -2,-0.4 2,-0.4 -0.950 13.7-174.4-111.4 135.4 11.9 -8.1 -3.4 68 73 A E E -AE 6 88A 39 20,-2.0 20,-2.9 -2,-0.4 2,-0.4 -0.975 13.7-144.5-127.9 149.6 14.1 -9.4 -0.5 69 74 A V E -AE 5 87A 0 -64,-3.2 -64,-2.9 -2,-0.4 2,-0.4 -0.899 9.1-166.6-111.6 141.6 15.4 -7.7 2.6 70 75 A E E - E 0 86A 6 16,-2.3 16,-2.8 -2,-0.4 -66,-0.1 -0.932 7.8-155.5-128.5 104.7 18.8 -8.4 4.2 71 76 A F E - E 0 85A 12 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.411 16.5-130.8 -71.2 152.7 19.5 -7.1 7.7 72 77 A D - 0 0 5 12,-0.7 41,-0.1 3,-0.2 -1,-0.1 -0.131 32.7 -92.4 -90.7-164.3 23.1 -6.5 8.7 73 78 A K S S+ 0 0 127 39,-0.6 40,-0.2 -2,-0.0 3,-0.1 0.562 102.7 55.4 -94.2 -3.0 24.7 -7.8 11.9 74 79 A G S S- 0 0 19 1,-0.3 37,-0.1 36,-0.1 -2,-0.0 0.151 108.3 -18.8-102.1-142.5 24.1 -4.8 14.1 75 80 A Q - 0 0 117 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.403 50.3-155.8 -69.8 146.6 20.9 -2.9 15.0 76 81 A R S S+ 0 0 121 -3,-0.1 8,-2.6 -5,-0.1 2,-0.3 0.468 73.2 42.1-101.7 -8.4 18.0 -3.5 12.6 77 82 A T B S-F 83 0A 77 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.973 72.0-138.2-133.5 153.5 16.0 -0.3 13.2 78 83 A D > - 0 0 37 4,-1.9 3,-2.1 -2,-0.3 -2,-0.1 -0.399 44.0 -83.2 -99.3-173.6 17.0 3.3 13.7 79 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.674 128.7 56.4 -66.1 -16.4 15.7 5.9 16.1 80 85 A Y T 3 S- 0 0 161 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.405 119.7-107.5 -96.1 2.9 12.7 6.6 13.8 81 86 A G S < S+ 0 0 50 -3,-2.1 2,-0.4 1,-0.3 -53,-0.3 0.563 71.3 144.5 83.7 12.6 11.6 3.0 13.8 82 87 A R - 0 0 64 -55,-0.1 -4,-1.9 -53,-0.1 -1,-0.3 -0.698 54.2-115.7 -84.0 138.7 12.8 2.4 10.3 83 88 A G E -dF 29 77A 0 -55,-2.2 -53,-3.0 -2,-0.4 2,-0.6 -0.391 23.9-141.8 -63.5 142.3 14.2 -1.1 9.3 84 89 A L E +d 30 0A 25 -8,-2.6 -12,-0.7 -55,-0.2 2,-0.3 -0.926 44.2 135.5-110.5 107.8 17.9 -0.8 8.3 85 90 A A E -dE 31 71A 0 -55,-1.6 -53,-2.3 -2,-0.6 2,-0.4 -0.947 60.3-108.3-152.4 162.4 18.6 -3.2 5.5 86 91 A Y E - 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