==== 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) 17-JAN-94 1STB . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR S.QUIRK,A.GITTIS,L.J.KEEFE,E.E.LATTMAN . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 67.9 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 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 9 6.6 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 19.7 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 1 1 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 0 232 0, 0.0 2,-0.1 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 144.3 -2.6 38.2 22.6 2 7 A L - 0 0 34 69,-0.1 2,-0.3 114,-0.0 71,-0.1 -0.376 360.0-167.0 -85.8 168.6 0.2 36.0 21.2 3 8 A H - 0 0 120 69,-0.4 69,-0.6 -2,-0.1 2,-0.2 -0.969 20.4-107.0-161.8 155.6 3.2 37.3 19.2 4 9 A K E -A 71 0A 88 -2,-0.3 67,-0.2 67,-0.2 84,-0.1 -0.483 29.0-170.8 -85.5 144.2 6.1 36.3 17.0 5 10 A E E -A 70 0A 38 65,-2.4 65,-2.7 -2,-0.2 2,-0.1 -0.952 28.9-100.1-129.6 150.2 9.6 36.2 18.1 6 11 A P E +A 69 0A 93 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.370 40.6 173.7 -68.9 145.1 12.9 35.7 16.1 7 12 A A E -A 68 0A 12 61,-1.7 61,-0.7 15,-0.1 2,-0.4 -0.945 24.1-137.9-148.4 149.0 14.6 32.3 16.2 8 13 A T E -B 21 0A 90 13,-1.7 13,-2.9 -2,-0.3 59,-0.0 -0.949 27.1-119.4-106.8 125.9 17.6 30.9 14.3 9 14 A L E +B 20 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.394 35.1 169.8 -60.6 138.4 17.4 27.3 13.0 10 15 A I E - 0 0 68 9,-2.4 2,-0.3 1,-0.3 10,-0.2 0.583 68.5 -30.3-112.7 -51.5 20.1 25.0 14.5 11 16 A K E -B 19 0A 113 8,-2.3 8,-3.1 51,-0.0 2,-0.3 -0.929 48.6-126.0-164.6 144.7 18.7 21.8 13.2 12 17 A A E -B 18 0A 21 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.748 24.5-179.3 -83.5 139.0 15.4 20.1 12.2 13 18 A I - 0 0 73 4,-2.0 2,-0.2 1,-0.5 5,-0.2 0.763 60.2 -32.6-109.9 -49.0 15.1 16.7 14.1 14 19 A D S S- 0 0 9 3,-2.4 3,-0.5 25,-0.1 -1,-0.5 -0.846 84.1 -61.4-151.0-160.3 11.8 15.4 12.7 15 20 A G S S+ 0 0 0 22,-0.4 84,-0.1 36,-0.3 3,-0.0 0.875 131.1 16.7 -60.6 -36.6 8.4 16.6 11.5 16 21 A D S S+ 0 0 4 21,-0.1 15,-2.5 1,-0.1 2,-0.5 0.255 113.0 73.8-122.1 14.5 7.4 18.3 14.7 17 22 A T E + C 0 30A 15 -3,-0.5 -3,-2.4 13,-0.2 -4,-2.0 -0.984 53.3 166.7-135.0 124.9 10.6 18.6 16.8 18 23 A V E -BC 12 29A 3 11,-2.3 11,-3.0 -2,-0.5 2,-0.6 -0.994 31.1-131.7-136.8 142.7 13.2 21.3 15.8 19 24 A K E -BC 11 28A 76 -8,-3.1 -9,-2.4 -2,-0.3 -8,-2.3 -0.820 33.7-179.8 -99.7 125.9 16.2 22.7 17.6 20 25 A L E -BC 9 27A 1 7,-2.9 7,-2.8 -2,-0.6 2,-0.9 -0.906 36.5-125.5-124.7 145.3 16.4 26.4 17.6 21 26 A M E -BC 8 26A 70 -13,-2.9 -13,-1.7 -2,-0.3 2,-0.5 -0.818 41.7-179.6 -76.9 105.1 18.6 29.2 18.9 22 27 A Y E > - C 0 25A 36 3,-3.0 3,-2.3 -2,-0.9 -15,-0.1 -0.948 63.9 -17.0-115.2 136.6 16.0 31.2 20.8 23 28 A K T 3 S- 0 0 102 -17,-0.5 -1,-0.2 -2,-0.5 -16,-0.1 0.841 131.0 -49.2 31.4 46.9 17.1 34.4 22.7 24 29 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.500 119.8 101.4 85.0 5.6 20.8 33.3 22.4 25 30 A Q E < -C 22 0A 123 -3,-2.3 -3,-3.0 2,-0.0 2,-0.4 -0.964 69.9-124.0-128.9 138.5 20.3 29.8 23.7 26 31 A P E +C 21 0A 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.626 44.0 155.7 -69.8 119.1 20.1 26.4 21.9 27 32 A M E -C 20 0A 45 -7,-2.8 -7,-2.9 -2,-0.4 2,-0.3 -1.000 44.3-113.1-150.4 158.6 16.9 24.5 22.7 28 33 A T E -C 19 0A 42 -2,-0.3 56,-2.5 -9,-0.3 2,-0.4 -0.683 32.0-164.0 -86.4 130.9 14.6 21.8 21.3 29 34 A F E -Cd 18 84A 0 -11,-3.0 -11,-2.3 -2,-0.3 2,-0.5 -0.936 4.1-155.4-111.9 142.9 11.1 23.1 20.4 30 35 A R E -Cd 17 85A 22 54,-2.9 56,-1.5 -2,-0.4 2,-0.4 -0.968 26.2-112.8-123.8 131.8 8.2 20.8 19.8 31 36 A L E > - d 0 86A 1 -15,-2.5 3,-1.1 -2,-0.5 56,-0.2 -0.495 34.4-116.6 -68.6 125.4 5.4 22.0 17.6 32 36AA L T 3 S+ 0 0 9 54,-2.5 56,-0.1 -2,-0.4 -1,-0.1 -0.345 86.4 9.1 -61.3 137.8 2.2 22.5 19.5 33 37 A L T 3 S+ 0 0 3 76,-0.4 75,-1.9 1,-0.2 2,-0.3 0.470 102.8 106.2 73.5 16.5 -0.9 20.5 18.7 34 38 A L E < -H 107 0B 0 -3,-1.1 2,-0.4 73,-0.3 73,-0.2 -0.850 48.2-166.9-128.6 152.6 0.7 17.9 16.4 35 39 A V E -H 106 0B 43 71,-2.3 71,-2.4 -2,-0.3 2,-0.3 -0.906 18.1-168.3-133.0 98.7 1.8 14.5 16.2 36 40 A D E -H 105 0B 0 -2,-0.4 69,-0.2 69,-0.3 15,-0.1 -0.628 42.1-105.5 -69.3 156.3 3.9 14.2 13.1 37 41 A T - 0 0 16 67,-0.8 -22,-0.4 -2,-0.3 18,-0.1 -0.640 55.9-104.1 -76.2 134.7 4.2 10.6 12.7 38 42 A P - 0 0 14 0, 0.0 10,-3.4 0, 0.0 3,-0.3 -0.297 20.4-155.6 -63.4 156.7 8.1 10.1 13.9 39 43 A E S S+ 0 0 75 12,-0.2 8,-0.4 1,-0.2 2,-0.1 0.748 106.6 16.9 -85.7 -23.7 11.3 9.6 12.2 40 44 A T S S+ 0 0 87 6,-0.4 6,-0.3 7,-0.1 -1,-0.2 -0.664 84.6 168.4-149.4 71.8 12.6 8.1 15.4 41 45 A K - 0 0 53 5,-1.8 6,-0.1 -3,-0.3 -4,-0.0 -0.270 33.9-132.3 -69.0-178.2 9.6 7.3 17.6 42 46 A H S > S+ 0 0 157 2,-0.1 3,-1.3 3,-0.1 -1,-0.1 0.824 102.3 39.3-116.5 -52.7 10.2 5.1 20.6 43 47 A P T 3 S+ 0 0 106 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.981 125.8 44.0 -57.1 -49.6 7.4 2.4 20.6 44 48 A K T 3 S- 0 0 116 2,-0.2 2,-0.4 1,-0.1 -3,-0.2 0.350 105.2-137.2 -75.6 4.3 8.1 2.4 16.9 45 49 A K S < S- 0 0 203 -3,-1.3 2,-0.2 1,-0.2 -1,-0.1 0.198 70.8 -46.1 65.2 -17.0 12.0 2.5 17.5 46 50 A G S S+ 0 0 8 -2,-0.4 -5,-1.8 -6,-0.3 -6,-0.4 -0.614 107.1 61.1 169.1-131.9 12.0 5.0 14.7 47 51 A V - 0 0 88 -8,-0.4 -8,-0.2 -2,-0.2 -7,-0.1 -0.344 52.7-160.9 -69.7 112.0 10.5 5.6 11.4 48 52 A E - 0 0 21 -10,-3.4 2,-0.3 -2,-0.3 3,-0.2 -0.326 38.1 -88.1 -82.6 158.7 6.8 5.8 11.0 49 53 A K S S+ 0 0 174 1,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.611 125.6 2.3 -63.3 129.1 4.5 5.4 7.8 50 54 A Y S > S+ 0 0 40 -2,-0.3 4,-2.7 1,-0.1 5,-0.3 0.123 105.6 106.0 69.9 -11.9 4.7 9.1 6.8 51 55 A G H > S+ 0 0 0 -13,-0.2 4,-2.6 -2,-0.2 -36,-0.3 0.936 81.8 47.2 -56.7 -49.1 7.1 10.1 9.7 52 56 A P H > S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.851 113.4 47.5 -68.1 -24.9 10.1 10.4 7.2 53 57 A E H > S+ 0 0 91 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.930 111.8 50.2 -77.5 -41.5 8.1 12.5 4.7 54 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.918 112.4 49.7 -60.0 -41.8 6.8 14.8 7.5 55 59 A S H X S+ 0 0 9 -4,-2.6 4,-2.9 -5,-0.3 -2,-0.2 0.956 111.4 47.1 -62.3 -46.5 10.4 15.1 8.6 56 60 A A H X S+ 0 0 35 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.931 111.5 51.8 -61.9 -43.0 11.6 16.0 5.0 57 61 A F H X S+ 0 0 59 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.919 113.7 41.1 -60.3 -48.8 8.8 18.5 4.6 58 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.949 113.4 57.1 -66.2 -40.9 9.6 20.4 7.9 59 63 A K H X S+ 0 0 97 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.921 113.0 38.8 -55.0 -51.7 13.4 20.0 7.1 60 64 A K H X S+ 0 0 101 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.934 112.9 56.2 -64.1 -45.0 13.0 21.8 3.7 61 65 A M H < S+ 0 0 38 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.867 118.3 32.9 -58.5 -34.8 10.5 24.4 5.0 62 66 A V H >< S+ 0 0 6 -4,-2.3 3,-0.9 -5,-0.2 -1,-0.2 0.867 116.1 56.4 -91.0 -34.4 12.8 25.6 7.8 63 67 A E H 3< S+ 0 0 83 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.835 115.0 37.8 -59.3 -41.0 16.1 25.0 5.9 64 68 A N T 3< S+ 0 0 121 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.238 89.6 120.8 -94.9 6.4 15.0 27.2 3.0 65 69 A A < - 0 0 22 -3,-0.9 3,-0.1 1,-0.2 -3,-0.1 -0.437 59.7-144.1 -74.5 147.5 13.2 29.9 5.0 66 70 A K S S- 0 0 188 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.767 86.5 -2.7 -72.0 -32.1 14.3 33.4 4.8 67 71 A K - 0 0 132 2,-0.0 24,-2.6 -59,-0.0 2,-0.4 -0.965 63.4-143.8-161.9 146.1 13.5 33.8 8.5 68 72 A I E -AE 7 90A 16 -61,-0.7 -61,-1.7 -2,-0.3 2,-0.3 -0.934 16.2-175.6-111.5 137.7 12.0 31.7 11.4 69 73 A E E -AE 6 89A 42 20,-2.3 20,-3.1 -2,-0.4 2,-0.3 -0.980 12.8-146.1-130.5 145.7 9.7 33.1 14.1 70 74 A V E -AE 5 88A 0 -65,-2.7 -65,-2.4 -2,-0.3 2,-0.4 -0.858 6.2-164.0-112.9 146.9 8.3 31.3 17.2 71 75 A E E -AE 4 87A 14 16,-2.2 16,-2.4 -2,-0.3 2,-0.2 -0.969 8.6-155.9-130.7 107.2 4.9 32.0 18.7 72 76 A F E - E 0 86A 18 -69,-0.6 -69,-0.4 -2,-0.4 14,-0.2 -0.616 17.5-126.8 -81.3 149.8 4.3 30.7 22.3 73 77 A D - 0 0 3 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 0.039 32.9 -93.8 -80.6-161.8 0.7 30.1 23.3 74 78 A K S S+ 0 0 116 39,-0.6 40,-0.1 2,-0.0 3,-0.1 0.520 103.5 58.3-100.5 -2.2 -0.8 31.7 26.5 75 79 A G S S- 0 0 17 1,-0.3 37,-0.0 38,-0.1 2,-0.0 0.012 107.9 -18.7 -99.1-142.8 -0.1 28.7 28.9 76 80 A Q - 0 0 132 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.2 -0.280 47.6-150.8 -69.6 139.9 3.2 27.0 29.7 77 81 A R S S+ 0 0 121 -3,-0.1 8,-2.0 -5,-0.1 2,-0.3 0.502 77.7 44.1 -86.0 -3.6 6.2 27.6 27.4 78 82 A T B -F 84 0A 59 6,-0.3 6,-0.2 -49,-0.1 2,-0.2 -0.963 69.7-140.8-144.0 144.1 7.8 24.3 28.1 79 83 A D > - 0 0 25 4,-1.8 3,-2.8 -2,-0.3 4,-0.1 -0.582 45.6 -83.7 -95.7-176.1 6.8 20.7 28.5 80 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.673 128.4 55.3 -59.3 -20.5 8.0 18.1 31.0 81 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.387 118.6-110.5 -96.3 6.0 11.0 17.3 28.7 82 86 A G < + 0 0 45 -3,-2.8 2,-0.3 1,-0.3 -54,-0.2 0.656 69.6 144.4 75.6 17.5 12.1 20.8 28.7 83 87 A R - 0 0 63 -4,-0.1 -4,-1.8 -56,-0.1 -54,-0.3 -0.678 56.2-113.4 -86.9 139.8 11.2 21.4 25.0 84 88 A G E -dF 29 78A 0 -56,-2.5 -54,-2.9 -2,-0.3 2,-0.6 -0.456 27.1-141.9 -63.5 146.9 9.8 24.9 24.1 85 89 A L E +d 30 0A 23 -8,-2.0 -12,-0.6 -56,-0.2 2,-0.3 -0.949 42.0 137.0-118.6 110.2 6.1 24.6 23.0 86 90 A A E -dE 31 72A 0 -56,-1.5 -54,-2.5 -2,-0.6 2,-0.5 -0.865 60.6-111.6-146.5 166.7 5.4 26.9 20.1 87 91 A Y E - 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