==== 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 1STA . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR L.J.KEEFE,S.QUIRK,A.GITTIS,E.E.LATTMAN . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 70.8 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 . 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 . 13 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.4 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 . 4 2 0 0 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 0 1 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 82 0, 0.0 2,-0.3 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 173.1 -0.1 36.1 21.1 2 8 A H - 0 0 116 70,-0.4 70,-0.5 71,-0.1 2,-0.1 -0.943 360.0-106.9-153.0 147.4 2.8 38.1 19.7 3 9 A K B -A 71 0A 75 -2,-0.3 68,-0.2 68,-0.2 3,-0.1 -0.477 41.0-104.2 -75.0 147.8 6.0 36.8 18.0 4 10 A E - 0 0 24 66,-2.9 66,-0.3 -2,-0.1 -1,-0.1 -0.576 53.4 -84.7 -64.3 138.8 9.2 37.0 20.1 5 11 A P S S- 0 0 106 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.265 95.8 -9.8 -51.0 124.9 11.4 40.0 18.8 6 11AA G S S- 0 0 58 -3,-0.1 2,-0.3 -2,-0.0 64,-0.3 -0.560 92.7 -83.7 83.8-146.9 13.6 38.9 15.9 7 11BA G - 0 0 50 -2,-0.2 17,-0.3 62,-0.1 62,-0.2 -0.943 26.6-114.7-153.2 171.6 13.9 35.3 14.9 8 12 A A B -B 68 0A 7 60,-2.0 60,-0.5 -2,-0.3 2,-0.4 -0.585 26.0-127.5-104.0 165.3 15.8 32.2 15.7 9 13 A T E -C 22 0A 89 13,-2.1 13,-3.0 -2,-0.2 2,-0.2 -0.918 27.4-106.8-114.9 152.0 18.2 30.3 13.4 10 14 A L E +C 21 0A 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.472 35.4 168.7 -72.1 137.0 18.0 26.7 12.6 11 15 A I E S- 0 0 77 9,-2.8 2,-0.3 -2,-0.2 10,-0.2 0.635 72.7 -23.8-104.0 -56.9 20.5 24.2 14.1 12 16 A K E -C 20 0A 127 8,-1.8 8,-3.7 0, 0.0 2,-0.6 -0.953 47.1-137.8-161.5 128.8 18.8 21.0 13.1 13 17 A A E -C 19 0A 17 -2,-0.3 6,-0.3 6,-0.3 3,-0.1 -0.792 22.6-172.6 -82.5 122.0 15.3 19.8 12.1 14 18 A I E - 0 0 40 4,-1.9 2,-0.3 -2,-0.6 5,-0.2 0.901 60.4 -33.9 -89.9 -41.6 15.0 16.5 13.9 15 19 A D E > S-C 18 0A 10 3,-1.8 3,-0.5 40,-0.1 -1,-0.3 -0.858 86.8 -59.8-156.9-162.9 11.6 15.3 12.4 16 20 A G T 3 S+ 0 0 0 22,-0.4 83,-0.1 35,-0.3 23,-0.1 0.794 130.5 23.3 -64.7 -29.8 8.4 16.9 11.2 17 21 A D T 3 S+ 0 0 6 21,-0.2 15,-2.9 1,-0.1 2,-0.4 0.400 112.5 67.7-120.4 8.1 7.4 18.5 14.6 18 22 A T E < +CD 15 31A 11 -3,-0.5 -4,-1.9 13,-0.2 -3,-1.8 -0.991 53.9 167.0-130.2 125.3 10.6 18.9 16.5 19 23 A V E -CD 13 30A 4 11,-2.1 11,-3.0 -2,-0.4 2,-0.6 -0.984 29.4-133.3-136.1 142.4 13.4 21.3 15.5 20 24 A K E +CD 12 29A 76 -8,-3.7 -9,-2.8 -2,-0.3 -8,-1.8 -0.870 33.1 177.5 -94.2 131.6 16.5 22.6 17.3 21 25 A L E -CD 10 28A 0 7,-3.0 7,-2.7 -2,-0.6 2,-0.9 -0.898 38.9-120.8-131.0 150.6 17.0 26.3 17.0 22 26 A M E +CD 9 27A 67 -13,-3.0 -13,-2.1 -2,-0.3 2,-0.5 -0.889 44.0 179.3 -89.4 108.4 19.4 28.9 18.3 23 27 A Y E > - D 0 26A 28 3,-3.0 3,-2.3 -2,-0.9 -15,-0.1 -0.973 65.1 -16.4-119.9 122.5 16.8 31.0 20.1 24 28 A K T 3 S- 0 0 105 -2,-0.5 -1,-0.2 1,-0.3 -16,-0.1 0.879 127.2 -55.7 46.3 41.8 18.1 34.1 22.0 25 29 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.669 120.3 106.0 70.3 11.9 21.6 32.8 21.8 26 30 A Q E < S-D 23 0A 120 -3,-2.3 -3,-3.0 2,-0.0 2,-0.4 -0.970 74.3-122.8-117.2 133.4 20.6 29.5 23.5 27 31 A P E +D 22 0A 98 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.669 43.0 177.2 -66.3 129.2 20.3 26.2 21.6 28 32 A M E -D 21 0A 45 -7,-2.7 -7,-3.0 -2,-0.4 2,-0.5 -1.000 31.7-135.7-139.5 138.9 16.8 25.0 22.2 29 33 A T E -D 20 0A 33 -2,-0.4 55,-2.9 53,-0.3 2,-0.4 -0.834 26.9-163.6 -91.9 130.9 14.7 22.1 21.1 30 34 A F E -De 19 84A 1 -11,-3.0 -11,-2.1 -2,-0.5 2,-0.5 -0.944 9.3-158.8-114.8 139.4 11.1 23.2 20.1 31 35 A R E -De 18 85A 18 53,-3.2 55,-1.4 -2,-0.4 2,-0.3 -0.952 32.1-110.6-115.1 130.1 8.2 21.0 19.7 32 36 A L E > - e 0 86A 6 -15,-2.9 3,-0.9 -2,-0.5 55,-0.2 -0.440 33.0-115.8 -66.0 126.4 5.4 22.4 17.5 33 37 A L T 3 S- 0 0 9 53,-2.5 55,-0.1 -2,-0.3 -1,-0.1 -0.371 84.5 -0.4 -61.9 138.9 2.2 23.3 19.3 34 38 A L T 3 S+ 0 0 4 75,-0.4 74,-1.3 80,-0.1 2,-0.3 0.457 109.5 86.1 65.6 15.2 -1.1 21.5 18.6 35 39 A V E < -I 107 0B 0 -3,-0.9 2,-0.4 72,-0.3 72,-0.2 -0.923 53.9-154.7-136.5 161.6 0.1 19.0 16.0 36 40 A D E -I 106 0B 32 70,-2.1 70,-2.1 -2,-0.3 3,-0.1 -0.965 6.8-165.4-136.1 120.2 1.6 15.6 15.7 37 41 A T - 0 0 1 -2,-0.4 68,-0.2 68,-0.2 14,-0.1 -0.676 45.3 -81.9 -89.2 159.3 3.7 14.5 12.7 38 42 A P - 0 0 10 0, 0.0 -22,-0.4 0, 0.0 -21,-0.2 -0.252 51.1 -98.8 -63.7 149.6 4.3 10.7 12.5 39 43 A E + 0 0 36 1,-0.1 9,-2.7 7,-0.1 12,-0.2 -0.396 42.8 163.2 -69.6 138.2 7.1 9.1 14.5 40 44 A T S S+ 0 0 31 7,-0.2 7,-0.2 11,-0.1 -1,-0.1 0.393 73.3 36.5-124.9 -13.3 10.5 8.3 12.9 41 45 A K S S+ 0 0 128 5,-0.2 6,-0.1 1,-0.1 -2,-0.1 0.869 84.2 82.8-110.2 -53.7 12.7 7.8 16.1 42 46 A H >> - 0 0 111 1,-0.1 3,-2.4 4,-0.1 4,-1.7 -0.458 65.1-144.3 -70.5 118.8 11.2 6.1 19.1 43 47 A P T 34 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.726 91.4 71.7 -59.4 -30.6 11.3 2.3 18.7 44 48 A K T 34 S+ 0 0 175 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.774 114.8 23.9 -54.4 -31.2 8.0 1.7 20.5 45 49 A K T <4 S- 0 0 93 -3,-2.4 -1,-0.2 1,-0.1 -3,-0.0 0.699 98.4-155.3-105.9 -28.7 6.1 3.2 17.5 46 50 A G < - 0 0 28 -4,-1.7 2,-1.0 2,-0.1 -5,-0.2 -0.206 49.7 -32.0 77.6-178.6 8.6 2.6 14.7 47 51 A V S S- 0 0 100 -7,-0.2 -7,-0.2 -6,-0.1 2,-0.1 -0.666 72.4-151.0 -81.4 106.2 8.7 4.7 11.5 48 52 A E > - 0 0 66 -9,-2.7 3,-1.8 -2,-1.0 2,-0.1 -0.380 27.3 -86.6 -78.9 155.0 5.2 5.6 11.0 49 53 A K T 3 S+ 0 0 155 1,-0.3 -1,-0.1 2,-0.2 -10,-0.1 -0.405 116.4 16.0 -64.3 134.5 3.8 6.2 7.5 50 54 A Y T 3> S+ 0 0 36 -2,-0.1 4,-3.0 -3,-0.1 -1,-0.3 0.228 94.4 112.5 75.9 0.9 4.3 9.9 6.4 51 55 A G H <> S+ 0 0 0 -3,-1.8 4,-2.2 -12,-0.2 -35,-0.3 0.953 79.8 43.8 -59.1 -54.5 6.9 10.3 9.2 52 56 A P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.903 115.4 49.5 -56.8 -39.2 9.7 10.6 6.6 53 57 A E H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.918 109.9 49.2 -69.0 -46.0 7.6 13.0 4.4 54 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.928 111.0 52.0 -61.5 -43.4 6.6 15.2 7.3 55 59 A S H X S+ 0 0 24 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.949 110.5 46.3 -58.5 -48.9 10.3 15.4 8.3 56 60 A A H X S+ 0 0 41 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.905 112.1 53.0 -62.1 -38.5 11.4 16.5 4.8 57 61 A F H X S+ 0 0 58 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.956 111.9 42.9 -61.3 -53.9 8.6 19.0 4.6 58 62 A T H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.949 113.5 53.1 -59.2 -46.0 9.6 20.7 7.9 59 63 A K H X S+ 0 0 83 -4,-2.9 4,-3.0 -5,-0.2 5,-0.2 0.938 111.3 45.0 -57.0 -47.1 13.2 20.6 7.1 60 64 A K H X S+ 0 0 96 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.919 112.1 51.7 -65.1 -41.1 12.8 22.3 3.6 61 65 A M H < S+ 0 0 39 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.943 117.0 37.2 -63.1 -50.0 10.5 24.9 4.9 62 66 A V H >< S+ 0 0 2 -4,-2.5 3,-0.9 1,-0.2 -2,-0.2 0.902 115.3 54.7 -74.1 -34.6 12.8 26.0 7.8 63 67 A E H 3< S+ 0 0 89 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.862 110.9 45.4 -65.7 -35.2 16.0 25.6 5.8 64 68 A N T 3< S+ 0 0 129 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.460 89.8 112.5 -88.7 2.1 14.8 27.8 3.0 65 69 A A < - 0 0 23 -3,-0.9 3,-0.1 -4,-0.4 -3,-0.0 -0.408 52.7-159.5 -79.9 143.5 13.5 30.6 5.2 66 70 A K S S+ 0 0 175 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.809 88.3 27.0 -78.2 -32.6 15.0 34.0 5.4 67 71 A K - 0 0 126 2,-0.0 24,-2.4 -58,-0.0 2,-0.5 -0.997 63.9-166.9-136.9 126.3 13.3 34.6 8.8 68 72 A I E -BF 8 90A 12 -60,-0.5 -60,-2.0 -2,-0.4 2,-0.3 -0.975 17.8-169.6-112.0 119.4 12.3 32.0 11.4 69 73 A E E - F 0 89A 48 20,-2.5 20,-2.5 -2,-0.5 2,-0.5 -0.864 12.0-146.5-114.1 152.0 9.9 33.4 14.1 70 74 A V E - F 0 88A 2 -2,-0.3 -66,-2.9 -66,-0.3 2,-0.5 -0.951 12.1-175.0-117.3 124.9 8.8 31.9 17.4 71 75 A E E -AF 3 87A 12 16,-2.6 16,-3.0 -2,-0.5 2,-0.2 -0.979 10.4-156.0-123.0 118.6 5.4 32.6 18.9 72 76 A F E - F 0 86A 15 -70,-0.5 -70,-0.4 -2,-0.5 14,-0.2 -0.530 14.5-129.5 -83.3 157.8 4.5 31.2 22.3 73 77 A D - 0 0 7 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.106 34.8 -88.5 -92.5-163.6 1.0 30.6 23.4 74 78 A K S S+ 0 0 123 39,-0.5 40,-0.1 -2,-0.1 3,-0.1 0.630 104.0 45.6 -84.4 -21.9 -0.7 31.8 26.7 75 79 A G S S- 0 0 20 1,-0.3 -2,-0.0 36,-0.1 37,-0.0 0.146 108.5 -11.4 -98.4-141.2 0.2 28.9 29.0 76 80 A Q - 0 0 117 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.2 -0.277 47.5-156.9 -64.1 143.6 3.4 26.9 29.6 77 81 A R S S+ 0 0 115 -3,-0.1 8,-2.8 -5,-0.1 2,-0.3 0.485 75.1 43.8-104.0 -6.1 6.2 27.4 27.2 78 82 A T B S-G 84 0A 77 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.963 74.4-137.6-135.8 147.2 8.1 24.1 27.7 79 83 A D > - 0 0 31 4,-2.3 3,-2.4 -2,-0.3 4,-0.1 -0.412 43.8 -82.1 -89.9-174.5 6.7 20.6 27.9 80 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.649 128.9 58.7 -68.0 -12.6 7.7 17.9 30.4 81 85 A Y T 3 S- 0 0 158 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.376 119.7-107.7 -92.3 8.1 10.7 17.0 28.1 82 86 A G S < S+ 0 0 48 -3,-2.4 2,-0.4 1,-0.3 -53,-0.3 0.622 73.1 144.2 76.4 12.8 12.1 20.6 28.4 83 87 A R - 0 0 60 -4,-0.1 -4,-2.3 -55,-0.1 -1,-0.3 -0.716 55.8-113.6 -89.8 135.6 11.1 21.3 24.8 84 88 A G E -eG 30 78A 1 -55,-2.9 -53,-3.2 -2,-0.4 2,-0.7 -0.366 25.0-142.0 -60.5 138.8 9.9 24.8 23.9 85 89 A L E +e 31 0A 22 -8,-2.8 -12,-0.5 -55,-0.2 2,-0.3 -0.912 42.7 136.1-110.9 108.0 6.2 24.9 22.9 86 90 A A E -eF 32 72A 0 -55,-1.4 -53,-2.5 -2,-0.7 2,-0.5 -0.918 59.1-113.0-147.4 166.3 5.7 27.3 20.1 87 91 A Y E - 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