==== 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) 27-OCT-94 1STH . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.J.LOLL,S.QUIRK,E.E.LATTMAN . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 67.6 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 . 34 25.0 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 . 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 . 13 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.6 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 6 A K 0 0 125 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0-162.8 -2.3 38.5 22.4 2 7 A L - 0 0 45 68,-0.1 2,-0.4 113,-0.0 70,-0.1 -0.466 360.0-155.8 -86.6 162.5 0.5 36.2 21.2 3 8 A H - 0 0 116 68,-0.3 68,-0.5 -2,-0.1 2,-0.2 -0.997 13.5-123.4-140.9 145.2 3.6 37.7 19.6 4 9 A K E -A 70 0A 87 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.570 26.4-170.6 -80.0 141.2 6.1 36.3 17.2 5 10 A E E -A 69 0A 30 64,-2.4 64,-2.8 -2,-0.2 2,-0.0 -0.982 27.3-103.2-127.5 148.7 9.8 36.4 18.2 6 11 A P E +A 68 0A 93 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.330 39.3 173.8 -66.2 147.9 12.9 35.7 16.0 7 12 A A E -A 67 0A 11 60,-1.9 60,-0.7 15,-0.1 2,-0.4 -0.931 24.6-129.5-147.8 163.4 14.8 32.4 16.2 8 13 A T E -B 21 0A 96 13,-2.0 13,-2.9 -2,-0.3 2,-0.1 -0.980 25.8-116.4-119.3 130.1 17.6 30.9 14.2 9 14 A L E +B 20 0A 48 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.418 34.6 168.3 -64.9 131.7 17.5 27.3 12.8 10 15 A I E - 0 0 79 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.755 67.9 -31.3-102.7 -56.2 20.1 24.9 14.2 11 16 A K E -B 19 0A 116 8,-1.8 8,-3.4 0, 0.0 2,-0.4 -0.979 50.4-125.5-161.5 137.7 18.8 21.6 12.9 12 17 A A E -B 18 0A 12 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.779 23.1-173.3 -88.7 137.1 15.4 20.0 12.0 13 18 A I E - 0 0 46 4,-2.1 2,-0.2 1,-0.4 5,-0.2 0.870 57.1 -43.8 -97.7 -56.0 15.0 16.7 13.8 14 19 A D E > S-B 17 0A 11 3,-2.1 3,-0.6 39,-0.1 -1,-0.4 -0.815 84.1 -49.7-155.3-156.5 11.8 15.3 12.4 15 20 A G T 3 S+ 0 0 0 22,-0.3 83,-0.1 -2,-0.2 23,-0.1 0.815 131.5 15.5 -59.3 -36.7 8.3 16.4 11.4 16 21 A D T 3 S+ 0 0 9 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.337 115.0 70.0-124.9 13.0 7.3 18.1 14.6 17 22 A T E < +BC 14 30A 14 -3,-0.6 -4,-2.1 13,-0.2 -3,-2.1 -0.997 51.6 165.3-135.9 128.9 10.6 18.7 16.5 18 23 A V E -BC 12 29A 2 11,-2.1 11,-3.1 -2,-0.4 2,-0.5 -0.971 32.2-125.7-141.2 150.6 13.3 21.2 15.5 19 24 A K E +BC 11 28A 72 -8,-3.4 -9,-2.7 -2,-0.3 -8,-1.8 -0.909 35.8 174.6-103.7 132.6 16.4 22.6 17.3 20 25 A L E -BC 9 27A 0 7,-2.3 7,-2.8 -2,-0.5 2,-0.6 -0.912 37.0-122.3-134.6 152.5 16.6 26.4 17.3 21 26 A M E -BC 8 26A 72 -13,-2.9 -13,-2.0 -2,-0.3 2,-0.5 -0.899 38.5-179.2 -91.5 116.9 18.8 29.2 18.8 22 27 A Y E > - C 0 25A 29 3,-2.9 3,-2.0 -2,-0.6 -15,-0.1 -0.980 65.6 -17.0-126.8 118.3 16.2 31.3 20.8 23 28 A K T 3 S- 0 0 106 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.935 130.9 -50.4 51.7 45.6 17.5 34.4 22.7 24 29 A G T 3 S+ 0 0 67 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.533 119.3 104.5 74.9 3.8 21.0 33.1 22.5 25 30 A Q E < -C 22 0A 95 -3,-2.0 -3,-2.9 2,-0.0 2,-0.4 -0.971 68.7-125.4-119.7 138.2 20.3 29.6 23.8 26 31 A P E +C 21 0A 93 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.626 42.2 163.4 -68.6 126.5 20.0 26.2 21.9 27 32 A M E -C 20 0A 41 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.4 -0.971 39.2-123.4-139.2 152.5 16.7 24.5 22.6 28 33 A T E -C 19 0A 37 -2,-0.3 55,-2.7 53,-0.3 2,-0.4 -0.815 30.8-156.0 -97.9 137.5 14.7 21.8 21.0 29 34 A F E -Cd 18 83A 0 -11,-3.1 -11,-2.1 -2,-0.4 2,-0.5 -0.957 5.9-154.3-111.3 141.5 11.2 23.0 20.1 30 35 A R E -Cd 17 84A 19 53,-3.1 55,-1.6 -2,-0.4 2,-0.3 -0.960 28.5-113.8-116.6 129.9 8.1 20.8 19.8 31 36 A L E > - d 0 85A 2 -15,-2.7 3,-0.9 -2,-0.5 55,-0.2 -0.498 33.5-118.5 -66.6 123.7 5.4 22.1 17.5 32 37 A L T 3 S+ 0 0 11 53,-2.6 55,-0.1 -2,-0.3 -1,-0.1 -0.324 83.5 4.5 -62.6 141.8 2.1 22.9 19.4 33 38 A L T 3 S+ 0 0 3 75,-0.4 74,-1.4 80,-0.1 2,-0.3 0.460 107.0 89.5 68.2 14.9 -1.1 21.0 18.6 34 39 A V E < -H 106 0B 0 -3,-0.9 2,-0.4 72,-0.3 72,-0.2 -0.930 51.6-158.3-136.6 160.0 0.1 18.5 16.1 35 40 A D E -H 105 0B 35 70,-2.2 70,-1.9 -2,-0.3 3,-0.1 -0.968 11.5-163.2-136.7 120.6 1.6 15.0 15.9 36 41 A T - 0 0 5 -2,-0.4 68,-0.2 68,-0.2 -20,-0.1 -0.714 38.3 -87.6 -96.0 156.4 3.6 13.9 12.9 37 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.243 55.6 -98.4 -60.9 146.7 4.2 10.1 12.2 38 43 A E + 0 0 34 1,-0.1 9,-2.9 7,-0.1 12,-0.2 -0.346 39.6 171.7 -73.6 141.4 7.3 8.8 13.9 39 44 A T S S+ 0 0 33 7,-0.2 7,-0.3 11,-0.2 -1,-0.1 0.568 78.2 33.5-106.9 -32.4 10.7 8.3 12.4 40 45 A K S S+ 0 0 106 5,-0.2 4,-0.2 1,-0.1 6,-0.1 0.667 82.7 75.3 -92.9-115.5 12.5 7.5 15.6 41 46 A H > - 0 0 85 1,-0.1 4,-0.7 3,-0.1 3,-0.5 0.436 59.9-137.9 -14.7 112.8 11.3 5.6 18.8 42 47 A P T 4 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.558 104.3 62.0 -49.8 -13.7 11.0 1.7 18.7 43 48 A K T 4 S+ 0 0 176 2,-0.0 2,-0.2 0, 0.0 -2,-0.1 -0.376 129.7 9.4-109.7 46.1 7.7 1.9 20.6 44 49 A K T 4 S+ 0 0 101 -3,-0.5 -3,-0.1 -4,-0.2 2,-0.1 -0.536 99.5 168.0-179.1 -92.6 6.3 4.0 17.7 45 50 A G < - 0 0 14 -4,-0.7 2,-1.1 -2,-0.2 -5,-0.2 -0.391 48.3 -12.4 96.1-175.0 9.0 3.7 14.9 46 51 A V S S- 0 0 114 -7,-0.3 -7,-0.2 -6,-0.1 2,-0.2 -0.415 76.7-172.3 -66.4 98.4 9.3 4.5 11.1 47 52 A E > - 0 0 73 -9,-2.9 3,-2.4 -2,-1.1 2,-0.1 -0.566 34.2 -82.5 -94.4 156.7 5.6 5.1 10.5 48 53 A K T 3 S+ 0 0 148 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.1 -0.381 119.7 14.0 -60.8 128.6 4.0 5.6 7.1 49 54 A Y T 3> S+ 0 0 42 -2,-0.1 4,-2.7 -12,-0.1 -1,-0.3 0.256 94.5 110.9 79.7 1.8 4.4 9.3 6.2 50 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.5 -12,-0.2 -35,-0.2 0.945 78.9 48.0 -64.5 -48.2 7.0 9.9 8.9 51 56 A P H > S+ 0 0 62 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.908 114.4 46.9 -58.7 -41.4 9.8 10.3 6.2 52 57 A E H > S+ 0 0 78 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.882 110.9 49.8 -74.7 -37.6 7.6 12.7 4.3 53 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.933 112.7 48.6 -62.0 -43.0 6.6 14.8 7.3 54 59 A S H X S+ 0 0 21 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.942 112.9 47.1 -59.2 -46.4 10.3 15.1 8.4 55 60 A A H X S+ 0 0 42 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.878 110.1 53.0 -66.1 -38.1 11.3 16.1 4.9 56 61 A F H X S+ 0 0 57 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.963 113.3 42.6 -62.5 -52.9 8.5 18.6 4.5 57 62 A T H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.938 114.9 51.4 -58.9 -42.8 9.5 20.4 7.9 58 63 A K H X S+ 0 0 87 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.944 113.3 44.4 -57.6 -50.1 13.2 20.2 7.0 59 64 A K H X S+ 0 0 102 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.927 113.4 51.2 -59.5 -49.7 12.6 21.8 3.6 60 65 A M H < S+ 0 0 37 -4,-2.7 4,-0.3 -5,-0.2 -2,-0.2 0.909 117.9 35.1 -59.7 -47.1 10.3 24.4 5.0 61 66 A V H >< S+ 0 0 4 -4,-2.8 3,-0.8 -5,-0.2 -1,-0.2 0.874 116.1 53.5 -80.2 -32.6 12.6 25.7 7.8 62 67 A E H 3< S+ 0 0 81 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.870 111.8 44.8 -71.6 -32.8 16.0 25.2 5.9 63 68 A N T 3< S+ 0 0 124 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.499 91.2 110.1 -85.4 -0.7 14.8 27.3 2.9 64 69 A A < - 0 0 22 -3,-0.8 3,-0.1 -4,-0.3 -3,-0.0 -0.388 57.8-153.2 -77.0 150.9 13.3 30.0 5.0 65 70 A K S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.822 86.5 24.3 -78.9 -41.2 14.8 33.5 5.1 66 71 A K - 0 0 133 -58,-0.0 24,-2.8 -60,-0.0 2,-0.4 -0.994 63.2-163.3-133.8 131.6 13.3 34.1 8.6 67 72 A I E -AE 7 89A 14 -60,-0.7 -60,-1.9 -2,-0.4 2,-0.3 -0.930 14.2-177.7-109.4 134.7 12.1 31.7 11.4 68 73 A E E -AE 6 88A 48 20,-2.4 20,-2.8 -2,-0.4 2,-0.4 -0.965 12.3-151.8-127.7 148.6 9.8 33.1 14.1 69 74 A V E -AE 5 87A 0 -64,-2.8 -64,-2.4 -2,-0.3 2,-0.4 -0.924 4.9-163.8-117.9 145.5 8.4 31.3 17.2 70 75 A E E -AE 4 86A 10 16,-2.3 16,-2.7 -2,-0.4 -66,-0.2 -0.946 8.2-153.4-132.0 111.4 5.2 32.1 18.8 71 76 A F E - E 0 85A 19 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.448 15.9-130.1 -77.8 154.1 4.5 30.9 22.3 72 77 A D - 0 0 3 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.173 33.2 -91.1 -91.4-167.2 0.9 30.4 23.4 73 78 A K S S+ 0 0 123 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.506 103.5 54.7 -92.8 -2.0 -0.5 31.7 26.7 74 79 A G S S- 0 0 15 1,-0.3 37,-0.0 38,-0.1 -2,-0.0 -0.007 109.0 -16.8-104.1-144.7 0.1 28.7 29.0 75 80 A Q - 0 0 124 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.3 -0.248 49.0-151.8 -64.6 145.8 3.5 27.0 29.7 76 81 A R S S+ 0 0 120 -3,-0.1 8,-2.6 -5,-0.1 2,-0.3 0.521 76.5 38.6 -92.9 -15.0 6.3 27.5 27.3 77 82 A T B S-F 83 0A 70 6,-0.3 6,-0.2 -48,-0.1 2,-0.2 -0.948 72.9-134.9-133.6 154.9 8.1 24.2 27.8 78 83 A D > - 0 0 33 4,-1.9 3,-2.4 -2,-0.3 -2,-0.0 -0.485 45.1 -81.4 -94.1-172.6 7.0 20.6 28.3 79 84 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.684 128.6 57.0 -64.7 -19.8 8.2 18.0 30.8 80 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.326 119.3-107.8 -90.3 3.5 11.2 17.2 28.5 81 86 A G S < S+ 0 0 48 -3,-2.4 2,-0.3 1,-0.3 -53,-0.3 0.585 71.9 144.8 82.8 8.2 12.4 20.8 28.5 82 87 A R - 0 0 63 -55,-0.1 -4,-1.9 1,-0.1 -1,-0.3 -0.624 55.1-115.4 -83.3 139.4 11.3 21.3 24.9 83 88 A G E -dF 29 77A 0 -55,-2.7 -53,-3.1 -2,-0.3 2,-0.6 -0.477 25.6-142.6 -67.5 139.3 10.0 24.8 23.9 84 89 A L E +d 30 0A 24 -8,-2.6 -12,-0.5 -55,-0.2 2,-0.3 -0.925 42.5 133.2-109.9 110.8 6.3 24.6 23.0 85 90 A A E -dE 31 71A 0 -55,-1.6 -53,-2.6 -2,-0.6 2,-0.5 -0.948 61.3-108.3-151.4 166.6 5.5 27.0 20.1 86 91 A Y E - E 0 70A 0 -16,-2.7 -16,-2.3 -2,-0.3 2,-0.5 -0.900 43.7-149.8 -91.0 126.1 3.9 27.7 16.8 87 92 A I E - E 0 69A 1 -2,-0.5 7,-2.8 -18,-0.2 8,-0.6 -0.920 9.2-161.0-107.3 135.4 6.8 28.0 14.4 88 93 A Y E -GE 93 68A 19 -20,-2.8 -20,-2.4 -2,-0.5 2,-0.6 -0.941 8.1-163.8-116.2 134.5 6.7 30.4 11.3 89 94 A A E > S-GE 92 67A 6 3,-2.6 3,-2.2 -2,-0.4 -22,-0.2 -0.980 86.1 -21.7-120.5 111.2 8.9 30.1 8.2 90 95 A D T 3 S- 0 0 72 -24,-2.8 -1,-0.2 -2,-0.6 -23,-0.1 0.888 129.3 -51.0 46.0 47.6 8.6 33.4 6.3 91 96 A G T 3 S+ 0 0 50 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.425 113.8 116.2 78.9 -1.1 5.3 34.1 7.9 92 97 A K E < -G 89 0A 114 -3,-2.2 -3,-2.6 4,-0.0 2,-0.5 -0.886 68.7-124.2 -98.2 127.9 3.8 30.6 7.1 93 98 A M E > -G 88 0A 15 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.539 13.9-156.7 -72.9 118.8 3.0 28.6 10.2 94 99 A V H > S+ 0 0 1 -7,-2.8 4,-2.4 -2,-0.5 5,-0.2 0.914 91.7 58.8 -61.7 -38.1 4.7 25.2 9.9 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.927 111.8 40.0 -62.2 -40.1 2.2 23.5 12.3 96 101 A E H > S+ 0 0 29 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.895 110.2 57.8 -74.1 -42.3 -0.7 24.5 10.0 97 102 A A H X S+ 0 0 3 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.932 108.0 48.4 -54.3 -45.1 1.2 23.7 6.7 98 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 2,-0.2 6,-0.6 0.918 113.7 45.2 -60.9 -47.2 1.7 20.0 7.9 99 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.8 -5,-0.2 -2,-0.2 0.928 109.6 55.5 -64.1 -42.1 -1.9 19.6 8.9 100 105 A R H 3<5S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 109.1 49.0 -62.3 -30.7 -3.1 21.1 5.6 101 106 A Q T 3<5S- 0 0 78 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.342 114.6-114.5 -85.1 0.1 -1.0 18.5 3.8 102 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.6 -4,-0.2 -3,-0.2 0.870 86.3 118.0 68.1 30.4 -2.3 15.5 5.7 103 108 A L S - 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