==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(PHOSPHORIC DIESTER) 14-FEB-94 1ENC . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.LIBSON,A.GITTIS,E.E.LATTMAN . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 25.2 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 . 3 2.2 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 . 1 0.7 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 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.0 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 . 1 2 0 1 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 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 7 A L 0 0 95 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 152.6 0.7 36.7 21.2 2 8 A H - 0 0 111 68,-0.3 68,-0.6 69,-0.1 2,-0.2 -0.994 360.0-128.9-147.6 141.4 3.9 38.1 19.6 3 9 A K E -A 69 0A 82 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.476 21.5-166.3 -84.8 154.8 6.5 36.6 17.3 4 10 A E E -A 68 0A 27 64,-2.0 64,-3.0 -2,-0.2 -2,-0.0 -0.999 26.1-101.6-140.6 144.9 10.2 36.7 18.0 5 11 A P E +A 67 0A 106 0, 0.0 17,-0.3 0, 0.0 2,-0.3 -0.189 41.2 168.6 -63.2 155.3 13.2 36.1 15.8 6 12 A A E -A 66 0A 11 60,-1.7 60,-0.7 15,-0.1 2,-0.4 -0.929 26.7-127.7-157.3 165.5 15.1 32.8 16.2 7 13 A T E -B 20 0A 95 13,-1.8 13,-2.8 -2,-0.3 2,-0.1 -0.996 26.0-112.4-126.6 130.0 17.8 31.2 14.0 8 14 A L E +B 19 0A 48 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.306 37.1 165.6 -61.8 137.1 17.7 27.7 12.7 9 15 A I E - 0 0 72 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.710 69.5 -23.8-110.2 -59.6 20.3 25.4 14.2 10 16 A K E -B 18 0A 123 8,-2.1 8,-3.8 50,-0.0 2,-0.3 -0.974 50.5-129.0-160.0 136.7 18.8 22.0 13.0 11 17 A A E -B 17 0A 15 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.646 25.8-177.8 -79.6 140.2 15.5 20.5 11.9 12 18 A I E - 0 0 67 4,-2.9 2,-0.3 1,-0.5 5,-0.2 0.811 54.9 -37.6-108.2 -47.9 15.0 17.3 13.9 13 19 A D E > S-B 16 0A 19 3,-1.8 3,-0.8 39,-0.1 -1,-0.5 -0.837 81.2 -62.2-160.1-171.2 11.7 15.8 12.6 14 20 A G T 3 S+ 0 0 0 22,-0.3 83,-0.1 -2,-0.3 23,-0.1 0.787 133.8 24.9 -53.1 -40.4 8.3 16.9 11.4 15 21 A E T 3 S+ 0 0 7 1,-0.1 15,-2.6 20,-0.1 2,-0.4 0.307 113.6 71.2-112.8 10.2 7.4 18.5 14.8 16 22 A T E < +BC 13 29A 8 -3,-0.8 -4,-2.9 13,-0.2 -3,-1.8 -0.979 48.0 168.8-137.4 124.1 10.8 19.3 16.3 17 23 A V E -BC 11 28A 1 11,-2.2 11,-3.2 -2,-0.4 2,-0.5 -0.970 28.2-134.8-133.1 143.9 13.4 21.9 15.4 18 24 A K E +BC 10 27A 63 -8,-3.8 -9,-2.4 -2,-0.4 -8,-2.1 -0.898 34.4 177.4 -98.7 124.6 16.5 23.1 17.3 19 25 A L E -BC 8 26A 0 7,-3.2 7,-3.1 -2,-0.5 2,-0.7 -0.893 37.7-121.0-127.3 157.2 16.7 26.9 17.2 20 26 A M E -BC 7 25A 74 -13,-2.8 -13,-1.8 -2,-0.3 2,-0.5 -0.901 39.6-175.7 -95.2 111.0 19.0 29.6 18.7 21 27 A Y E > - C 0 24A 22 3,-3.5 3,-1.4 -2,-0.7 -15,-0.1 -0.972 64.3 -23.2-121.1 111.9 16.6 31.6 20.8 22 28 A K T 3 S- 0 0 147 -2,-0.5 -1,-0.2 -17,-0.3 -16,-0.1 0.931 128.6 -47.7 50.3 56.6 17.8 34.7 22.5 23 29 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.466 121.6 103.9 66.9 11.3 21.4 33.5 22.4 24 30 A Q E < -C 21 0A 125 -3,-1.4 -3,-3.5 2,-0.0 2,-0.3 -0.983 69.9-128.9-122.1 132.3 20.5 30.0 23.7 25 31 A P E +C 20 0A 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.596 42.3 167.7 -74.0 134.6 20.3 26.8 21.6 26 32 A M E -C 19 0A 42 -7,-3.1 -7,-3.2 -2,-0.3 2,-0.4 -0.989 38.1-119.0-155.7 146.6 17.0 25.1 22.3 27 33 A T E -C 18 0A 35 -2,-0.3 55,-3.2 -9,-0.3 2,-0.4 -0.662 29.3-160.8 -81.5 130.7 14.7 22.4 21.1 28 34 A F E -Cd 17 82A 0 -11,-3.2 -11,-2.2 -2,-0.4 2,-0.5 -0.972 6.3-157.1-116.8 136.2 11.3 23.6 20.0 29 35 A R E -Cd 16 83A 13 53,-3.2 55,-1.6 -2,-0.4 2,-0.3 -0.933 29.7-115.1-112.5 129.6 8.3 21.3 19.7 30 36 A L E > - d 0 84A 1 -15,-2.6 3,-1.0 -2,-0.5 55,-0.2 -0.476 34.5-116.8 -64.5 124.8 5.5 22.6 17.4 31 37 A L T 3 S+ 0 0 12 53,-2.8 55,-0.1 -2,-0.3 -1,-0.1 -0.402 84.6 2.3 -66.1 145.5 2.3 23.3 19.3 32 38 A L T 3 S+ 0 0 3 75,-0.4 74,-1.7 1,-0.2 2,-0.4 0.416 102.7 108.4 63.3 15.7 -0.9 21.4 18.5 33 39 A V E < -H 105 0B 0 -3,-1.0 2,-0.4 72,-0.3 72,-0.2 -0.902 45.3-166.8-124.9 147.4 0.5 19.1 15.9 34 40 A D E -H 104 0B 28 70,-2.3 70,-2.4 -2,-0.4 3,-0.0 -0.954 10.9-172.8-132.0 112.9 1.3 15.4 15.8 35 41 A T - 0 0 1 -2,-0.4 68,-0.2 68,-0.2 14,-0.1 -0.698 39.3 -94.0 -98.3 152.1 3.4 14.1 12.9 36 42 A P - 0 0 7 0, 0.0 -22,-0.3 0, 0.0 17,-0.1 -0.422 53.4-112.0 -62.6 138.8 4.0 10.4 12.3 37 43 A E - 0 0 52 6,-0.1 9,-3.8 1,-0.1 12,-0.3 -0.467 33.3-179.6 -81.0 153.5 7.3 9.5 14.0 38 44 A T S S+ 0 0 11 7,-0.3 2,-0.8 11,-0.2 -1,-0.1 0.625 74.0 56.6-113.0 -44.0 10.6 8.5 12.3 39 45 A K S S+ 0 0 152 10,-0.1 -1,-0.2 6,-0.0 6,-0.1 -0.818 79.3 93.5-103.9 95.7 12.8 8.0 15.3 40 46 A H - 0 0 86 -2,-0.8 4,-0.1 -3,-0.1 -3,-0.0 -0.667 57.4-145.0 176.9 134.1 11.5 5.4 17.8 41 47 A P S > S+ 0 0 127 0, 0.0 2,-0.8 0, 0.0 3,-0.7 0.861 95.2 71.8 -59.3 -39.9 11.7 1.8 18.9 42 48 A K T 3 S- 0 0 144 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 -0.758 125.3 -7.1 -87.7 105.2 8.0 2.1 19.9 43 49 A K T 3 S- 0 0 146 -2,-0.8 -1,-0.2 2,-0.1 -6,-0.1 0.654 98.8-146.1 79.0 21.7 5.8 2.3 16.8 44 50 A G < - 0 0 29 -3,-0.7 2,-0.5 1,-0.1 -2,-0.1 0.152 57.0 -14.3 30.5-124.7 9.1 2.6 14.7 45 51 A V S S- 0 0 97 -6,-0.1 -7,-0.3 -4,-0.1 2,-0.2 -0.973 76.8-149.1-106.8 109.5 8.9 4.8 11.5 46 52 A E > - 0 0 55 -9,-3.8 3,-1.9 -2,-0.5 2,-0.1 -0.493 28.6 -85.6 -87.9 161.3 5.3 5.6 10.7 47 53 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.0 -0.383 120.0 18.0 -61.2 134.5 3.9 6.1 7.2 48 54 A Y T 3> S+ 0 0 47 -2,-0.1 4,-3.2 -3,-0.1 5,-0.3 0.232 93.6 113.7 81.3 -11.3 4.4 9.8 6.3 49 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.4 -12,-0.3 -35,-0.2 0.962 81.1 41.8 -50.5 -60.4 7.0 10.2 9.1 50 56 A P H > S+ 0 0 62 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.836 115.3 52.2 -52.5 -43.1 9.8 10.8 6.5 51 57 A E H > S+ 0 0 90 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.915 109.6 47.5 -61.3 -50.4 7.5 13.0 4.5 52 58 A A H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.876 113.2 49.6 -61.3 -42.0 6.6 15.2 7.5 53 59 A S H X S+ 0 0 22 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.903 111.2 47.8 -65.6 -44.3 10.2 15.5 8.5 54 60 A A H X S+ 0 0 51 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.859 110.7 52.6 -65.0 -39.3 11.3 16.5 5.0 55 61 A F H X S+ 0 0 60 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.953 112.8 42.3 -61.1 -51.8 8.5 19.1 4.8 56 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.958 116.0 51.2 -59.9 -46.8 9.5 20.8 8.1 57 63 A K H X S+ 0 0 88 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.941 113.3 43.3 -53.1 -55.5 13.2 20.6 7.2 58 64 A K H X S+ 0 0 95 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.909 113.6 52.6 -60.8 -42.3 12.7 22.1 3.7 59 65 A M H < S+ 0 0 39 -4,-2.5 4,-0.4 -5,-0.3 -2,-0.2 0.937 117.1 35.4 -59.6 -51.1 10.4 24.8 5.1 60 66 A V H < S+ 0 0 3 -4,-2.8 3,-0.5 -5,-0.2 -2,-0.2 0.867 116.2 52.3 -78.1 -33.9 12.7 26.0 7.8 61 67 A E H < S+ 0 0 76 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.822 111.4 48.1 -71.6 -27.6 16.0 25.6 6.0 62 68 A N S < S+ 0 0 122 -4,-1.9 -1,-0.2 -5,-0.3 2,-0.2 0.512 91.4 102.3 -85.7 -11.7 14.8 27.6 3.0 63 69 A A - 0 0 21 -3,-0.5 3,-0.1 -4,-0.4 -3,-0.0 -0.516 54.9-162.2 -75.2 145.0 13.4 30.4 5.2 64 70 A K S S+ 0 0 180 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.611 85.2 38.7 -96.7 -18.7 15.4 33.5 5.4 65 71 A K - 0 0 137 -58,-0.0 24,-3.2 2,-0.0 2,-0.4 -0.962 65.8-172.9-136.3 118.3 13.4 34.5 8.6 66 72 A I E -AE 6 88A 14 -60,-0.7 -60,-1.7 -2,-0.4 2,-0.4 -0.923 9.8-172.9-107.3 135.9 12.3 32.1 11.3 67 73 A E E -AE 5 87A 56 20,-2.7 20,-3.3 -2,-0.4 2,-0.4 -0.970 13.1-147.5-130.5 147.6 10.0 33.4 14.1 68 74 A V E -AE 4 86A 0 -64,-3.0 -64,-2.0 -2,-0.4 2,-0.4 -0.876 9.8-169.4-111.6 133.7 8.8 31.8 17.3 69 75 A E E -AE 3 85A 14 16,-2.4 16,-3.0 -2,-0.4 -66,-0.2 -0.913 8.3-156.7-131.7 107.3 5.4 32.5 18.8 70 76 A F E - E 0 84A 14 -68,-0.6 -68,-0.3 -2,-0.4 14,-0.2 -0.427 15.3-130.1 -75.6 157.1 4.6 31.2 22.3 71 77 A D - 0 0 5 12,-0.6 41,-0.2 3,-0.3 -1,-0.1 -0.163 34.2 -88.1 -92.2-167.6 1.1 30.7 23.4 72 78 A K S S+ 0 0 125 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.625 104.1 50.9 -80.5 -20.5 -0.6 32.0 26.6 73 79 A G S S- 0 0 19 1,-0.3 37,-0.0 36,-0.1 -2,-0.0 0.139 107.0 -16.6 -96.3-147.4 0.3 29.1 28.9 74 80 A Q - 0 0 126 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.177 48.8-153.4 -57.4 142.7 3.5 27.2 29.7 75 81 A R S S+ 0 0 122 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.505 74.8 43.5-103.0 -3.8 6.4 27.7 27.3 76 82 A T B S-F 82 0A 69 6,-0.3 6,-0.2 -48,-0.1 2,-0.2 -0.925 71.7-139.0-139.2 153.0 8.2 24.5 27.9 77 83 A D > - 0 0 24 4,-1.4 3,-2.0 -2,-0.3 -2,-0.1 -0.411 46.2 -82.4 -98.5-179.1 7.0 20.9 28.2 78 84 A K T 3 S+ 0 0 176 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.694 128.8 57.9 -60.3 -19.3 8.3 18.3 30.7 79 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.391 118.8-108.6 -92.6 0.5 11.3 17.5 28.4 80 86 A G S < S+ 0 0 49 -3,-2.0 2,-0.3 1,-0.3 -53,-0.2 0.629 70.9 143.9 85.0 10.4 12.5 21.1 28.5 81 87 A R - 0 0 63 -55,-0.1 -4,-1.4 1,-0.1 -1,-0.3 -0.677 55.3-114.1 -85.8 140.0 11.4 21.8 24.9 82 88 A G E -dF 28 76A 0 -55,-3.2 -53,-3.2 -2,-0.3 2,-0.6 -0.427 25.8-141.8 -67.7 142.9 10.0 25.3 24.0 83 89 A L E +d 29 0A 21 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.948 43.1 133.1-110.1 110.7 6.3 25.1 23.0 84 90 A A E -dE 30 70A 0 -55,-1.6 -53,-2.8 -2,-0.6 2,-0.5 -0.948 61.1-105.7-152.1 171.5 5.6 27.4 20.1 85 91 A Y E - E 0 69A 0 -16,-3.0 -16,-2.4 -2,-0.3 2,-0.5 -0.856 43.7-148.7 -93.4 124.7 4.0 28.3 16.8 86 92 A I E - E 0 68A 0 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.961 8.9-160.1-109.5 132.5 7.0 28.5 14.3 87 93 A Y E -GE 92 67A 17 -20,-3.3 -20,-2.7 -2,-0.5 2,-0.5 -0.932 6.4-166.2-111.8 128.9 6.9 30.8 11.4 88 94 A A E > S-GE 91 66A 5 3,-2.8 3,-2.5 -2,-0.4 -22,-0.2 -0.990 84.3 -22.9-113.0 112.5 9.1 30.4 8.3 89 95 A D T 3 S- 0 0 52 -24,-3.2 -1,-0.2 -2,-0.5 -23,-0.1 0.893 129.3 -50.7 49.6 44.4 9.0 33.7 6.2 90 96 A G T 3 S+ 0 0 42 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.334 115.1 116.1 78.2 -4.9 5.7 34.5 7.8 91 97 A K E < -G 88 0A 128 -3,-2.5 -3,-2.8 4,-0.0 2,-0.5 -0.851 69.2-123.5 -94.8 129.2 4.1 31.1 7.1 92 98 A M E > -G 87 0A 16 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.572 14.3-156.6 -73.0 118.6 3.2 29.0 10.2 93 99 A V H > S+ 0 0 0 -7,-3.2 4,-2.2 -2,-0.5 5,-0.2 0.891 91.2 59.5 -60.6 -39.2 4.9 25.7 9.9 94 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.907 111.2 39.3 -57.2 -43.3 2.4 24.1 12.3 95 101 A E H > S+ 0 0 41 2,-0.2 4,-3.5 -3,-0.2 -1,-0.2 0.878 109.8 59.8 -73.2 -41.6 -0.5 24.9 9.9 96 102 A A H X S+ 0 0 16 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.915 107.7 46.1 -51.9 -49.6 1.4 24.1 6.7 97 103 A L H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 6,-0.6 0.930 114.7 46.8 -59.9 -48.3 1.9 20.5 7.9 98 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.9 -5,-0.2 5,-0.2 0.942 110.1 53.3 -60.1 -50.1 -1.7 20.2 8.9 99 105 A R H 3<5S+ 0 0 69 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 108.8 50.8 -53.5 -36.4 -2.9 21.7 5.7 100 106 A Q T 3<5S- 0 0 78 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.281 115.6-112.3 -83.2 -1.8 -0.8 19.1 3.7 101 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.6 2,-0.2 -3,-0.2 0.844 87.6 118.0 68.7 33.0 -2.2 16.1 5.6 102 108 A L S - 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