==== 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 2EY6 . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7495.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 67.9 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 25.4 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 . 11 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.1 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 0 109 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 145.9 0.5 36.8 21.2 2 8 A H - 0 0 131 68,-0.3 68,-0.6 69,-0.1 2,-0.4 -0.944 360.0-135.8-122.5 141.2 3.9 38.1 19.9 3 9 A K E -A 69 0A 74 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.804 24.0-168.5 -90.5 135.5 6.3 36.8 17.3 4 10 A E E -A 68 0A 37 64,-2.8 64,-3.0 -2,-0.4 2,-0.0 -0.959 23.7-105.7-126.5 147.5 10.0 36.8 18.2 5 11 A P E +A 67 0A 89 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.292 39.7 170.5 -71.4 151.1 13.0 36.2 16.0 6 12 A A E -A 66 0A 13 60,-2.0 60,-0.7 15,-0.1 2,-0.4 -0.973 25.1-129.9-150.2 165.4 15.0 33.1 16.1 7 13 A T E -B 20 0A 97 13,-1.7 13,-3.3 -2,-0.3 2,-0.1 -0.964 28.0-112.8-123.7 135.7 17.8 31.4 14.1 8 14 A L E +B 19 0A 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.399 35.8 166.5 -68.0 134.8 17.8 27.9 12.8 9 15 A I E - 0 0 70 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.775 66.0 -25.5-104.4 -57.4 20.3 25.5 14.3 10 16 A K E -B 18 0A 116 8,-1.8 8,-3.2 0, 0.0 2,-0.5 -0.963 48.9-126.9-157.0 135.4 19.1 22.1 13.2 11 17 A A E +B 17 0A 14 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.760 29.0 177.6 -79.2 132.1 15.9 20.4 12.1 12 18 A I E - 0 0 45 4,-1.9 2,-0.3 -2,-0.5 5,-0.2 0.806 56.3 -25.3-104.0 -42.0 15.5 17.3 14.3 13 19 A D E > S-B 16 0A 3 3,-2.1 3,-0.7 40,-0.1 -1,-0.4 -0.916 76.4 -78.0-157.6-178.0 12.2 15.7 13.2 14 20 A G T 3 S+ 0 0 0 -2,-0.3 23,-0.1 22,-0.3 83,-0.1 0.829 131.1 31.5 -58.3 -32.1 8.9 16.6 11.7 15 21 A D T 3 S+ 0 0 5 20,-0.2 15,-2.6 1,-0.1 2,-0.4 0.364 115.1 61.0-109.8 4.9 7.7 18.0 15.0 16 22 A T E < +BC 13 29A 7 -3,-0.7 -3,-2.1 13,-0.2 -4,-1.9 -0.992 50.1 174.0-139.8 130.5 10.9 19.3 16.6 17 23 A V E -BC 11 28A 1 11,-2.1 11,-3.0 -2,-0.4 2,-0.5 -0.997 25.7-133.4-134.3 145.9 13.5 21.9 15.6 18 24 A K E +BC 10 27A 84 -8,-3.2 -9,-2.7 -2,-0.4 -8,-1.8 -0.828 33.4 176.7 -97.6 127.1 16.5 23.3 17.4 19 25 A L E -BC 8 26A 0 7,-2.8 7,-2.5 -2,-0.5 2,-0.7 -0.921 37.0-118.6-128.1 150.9 16.7 27.1 17.3 20 26 A M E -BC 7 25A 73 -13,-3.3 -13,-1.7 -2,-0.3 2,-0.5 -0.812 42.5-179.3 -84.2 117.4 19.0 29.9 18.6 21 27 A Y E > - C 0 24A 36 3,-3.2 3,-2.0 -2,-0.7 -15,-0.1 -0.980 63.4 -17.9-129.8 125.8 16.5 31.9 20.8 22 28 A K T 3 S- 0 0 117 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.836 130.0 -52.9 44.5 43.6 17.5 35.0 22.7 23 29 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.541 121.0 103.1 72.5 16.6 21.1 33.8 22.3 24 30 A Q E < S-C 21 0A 133 -3,-2.0 -3,-3.2 -5,-0.0 2,-0.2 -0.997 73.5-121.0-125.2 127.7 20.5 30.3 23.7 25 31 A P E +C 20 0A 82 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.460 41.8 173.9 -58.1 133.3 20.1 27.1 21.8 26 32 A M E -C 19 0A 49 -7,-2.5 -7,-2.8 -2,-0.2 2,-0.4 -0.989 31.5-130.1-143.9 139.1 16.7 25.6 22.6 27 33 A T E -C 18 0A 41 -2,-0.3 55,-2.7 -9,-0.2 2,-0.4 -0.769 28.3-158.2 -84.0 131.1 14.8 22.6 21.2 28 34 A F E -Cd 17 82A 0 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.4 -0.931 9.8-153.3-115.3 138.8 11.2 23.5 20.2 29 35 A R E -Cd 16 83A 38 53,-3.2 55,-1.8 -2,-0.4 2,-0.4 -0.908 31.5-113.9 -99.5 130.6 8.2 21.2 19.9 30 36 A L E > - d 0 84A 1 -15,-2.6 3,-0.9 -2,-0.4 55,-0.2 -0.565 36.6-120.2 -68.8 124.6 5.6 22.4 17.4 31 37 A L T 3 S+ 0 0 13 53,-2.5 55,-0.1 -2,-0.4 -1,-0.1 -0.335 80.2 3.9 -64.6 141.3 2.3 23.2 19.3 32 38 A L T 3 S+ 0 0 14 75,-0.2 74,-2.7 1,-0.1 2,-0.4 0.406 101.2 105.3 79.6 5.2 -1.0 21.5 18.6 33 39 A V E < -H 105 0B 0 -3,-0.9 2,-0.6 72,-0.3 72,-0.2 -0.945 54.0-153.7-125.9 141.3 0.2 19.0 16.0 34 40 A D E -H 104 0B 68 70,-3.3 70,-2.7 -2,-0.4 -3,-0.0 -0.944 24.6-173.6-102.3 114.2 0.8 15.3 16.0 35 41 A V - 0 0 7 -2,-0.6 -20,-0.2 68,-0.2 68,-0.2 -0.921 32.6-106.7-112.4 131.8 3.4 14.5 13.3 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.317 49.3-135.3 -55.9 134.7 4.4 11.0 12.2 37 43 A E - 0 0 46 1,-0.1 9,-3.3 2,-0.1 12,-0.2 -0.616 32.9-162.5-101.5 155.1 7.9 10.6 13.6 38 44 A T S S+ 0 0 31 7,-0.2 -1,-0.1 11,-0.2 -25,-0.1 0.545 98.3 42.5 -98.7 -15.7 11.3 9.3 12.5 39 45 A K S S+ 0 0 107 6,-0.1 -2,-0.1 10,-0.1 5,-0.1 0.485 76.9 106.1 -95.0-122.2 12.2 9.1 16.2 40 46 A H - 0 0 63 3,-0.1 3,-0.2 1,-0.1 0, 0.0 0.465 61.1-128.1 61.6 146.1 9.7 7.8 18.7 41 47 A P S S+ 0 0 96 0, 0.0 2,-3.0 0, 0.0 4,-0.1 0.809 94.6 70.5 -98.1 -43.1 10.0 4.3 20.3 42 48 A K S S- 0 0 152 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.325 132.3 -5.1 -78.2 66.4 6.6 2.6 19.7 43 49 A K S S- 0 0 131 -2,-3.0 2,-0.9 -3,-0.2 -1,-0.2 -0.243 80.9-149.0 148.1 -37.3 7.5 2.4 16.0 44 50 A G S S+ 0 0 25 -5,-0.1 2,-0.8 2,-0.0 -2,-0.1 -0.708 86.7 27.0 74.9-107.7 10.8 4.1 15.5 45 51 A V S S- 0 0 90 -2,-0.9 -7,-0.2 -4,-0.1 2,-0.2 -0.742 86.0-159.9 -87.1 115.6 10.3 5.4 11.9 46 52 A E > - 0 0 38 -9,-3.3 3,-1.8 -2,-0.8 2,-0.1 -0.561 32.3 -82.8 -88.1 162.4 6.6 5.8 11.3 47 53 A K T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.0 -0.433 119.3 14.8 -61.1 134.6 4.9 5.9 8.0 48 54 A Y T 3> S+ 0 0 54 -2,-0.1 4,-2.7 -3,-0.1 -1,-0.3 0.380 96.4 116.7 73.9 0.3 5.0 9.4 6.4 49 55 A G H <> S+ 0 0 0 -3,-1.8 4,-2.7 -12,-0.2 5,-0.3 0.962 73.5 44.6 -59.1 -55.7 7.7 10.2 9.0 50 56 A P H > S+ 0 0 68 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.927 115.0 51.1 -58.1 -39.0 10.5 10.8 6.5 51 57 A E H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.884 112.0 44.5 -65.2 -42.1 8.1 12.9 4.4 52 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.922 114.0 51.5 -69.9 -37.0 7.0 15.0 7.3 53 59 A S H X S+ 0 0 27 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.930 110.3 47.2 -64.3 -44.5 10.6 15.4 8.5 54 60 A A H X S+ 0 0 36 -4,-2.7 4,-2.4 -5,-0.3 5,-0.3 0.881 110.3 54.7 -63.7 -34.0 11.8 16.5 5.1 55 61 A F H X S+ 0 0 62 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.958 111.9 41.8 -63.7 -52.5 8.9 19.0 4.8 56 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.965 114.5 51.8 -59.0 -45.9 9.7 20.7 8.0 57 63 A K H X S+ 0 0 76 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.933 112.1 45.9 -58.3 -45.0 13.5 20.6 7.3 58 64 A K H X S+ 0 0 95 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.918 110.5 53.5 -68.4 -38.3 13.0 22.2 3.9 59 65 A M H < S+ 0 0 38 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.932 117.2 35.4 -65.0 -40.1 10.7 24.8 5.1 60 66 A V H >< S+ 0 0 3 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.855 114.1 54.9 -85.9 -28.7 13.0 26.1 7.9 61 67 A E H 3< S+ 0 0 91 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.830 112.6 44.4 -70.2 -28.4 16.3 25.6 6.1 62 68 A N T 3< S+ 0 0 123 -4,-1.6 -1,-0.2 -5,-0.3 2,-0.2 0.300 90.0 109.2 -97.5 4.8 15.2 27.7 3.1 63 69 A A < - 0 0 22 -3,-0.8 3,-0.2 -4,-0.2 -3,-0.0 -0.540 55.9-154.0 -84.6 149.5 13.5 30.6 5.1 64 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.827 86.8 28.3 -82.2 -35.1 15.0 34.1 5.3 65 71 A K - 0 0 145 -58,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.991 64.1-168.3-133.6 126.7 13.3 34.7 8.6 66 72 A I E -AE 6 88A 14 -60,-0.7 -60,-2.0 -2,-0.4 2,-0.4 -0.919 12.6-177.2-107.7 136.7 12.2 32.3 11.4 67 73 A E E -AE 5 87A 57 20,-2.0 20,-2.5 -2,-0.4 2,-0.4 -0.981 13.7-149.6-132.4 147.2 9.9 33.5 14.2 68 74 A V E -AE 4 86A 0 -64,-3.0 -64,-2.8 -2,-0.4 2,-0.4 -0.903 7.7-167.4-112.4 146.7 8.6 31.8 17.2 69 75 A E E -AE 3 85A 10 16,-2.1 16,-2.8 -2,-0.4 -66,-0.2 -0.958 8.6-153.7-134.7 111.8 5.3 32.6 18.9 70 76 A F E - E 0 84A 20 -68,-0.6 -68,-0.3 -2,-0.4 14,-0.2 -0.469 16.4-129.9 -78.1 157.4 4.5 31.2 22.3 71 77 A D - 0 0 2 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.220 33.6 -88.1 -93.6-166.8 0.9 30.7 23.3 72 78 A K S S+ 0 0 112 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.562 103.3 45.5 -80.1 -17.7 -0.9 31.9 26.5 73 79 A G S S- 0 0 15 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.154 108.1 -7.2-103.3-145.2 -0.1 28.9 28.8 74 80 A Q - 0 0 133 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.293 50.8-160.4 -53.4 136.4 3.0 26.8 29.6 75 81 A R S S+ 0 0 124 -3,-0.1 8,-2.6 -5,-0.1 2,-0.3 0.475 71.7 40.7-102.9 -5.0 5.9 27.6 27.3 76 82 A T B S-F 82 0A 76 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.979 73.0-136.4-138.0 152.0 8.0 24.4 27.8 77 83 A D > - 0 0 35 4,-2.1 3,-1.6 -2,-0.3 -2,-0.1 -0.319 43.6 -84.2 -97.3-170.8 7.0 20.8 28.1 78 84 A K T 3 S+ 0 0 187 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.642 126.5 56.5 -76.2 -11.9 8.3 18.2 30.6 79 85 A Y T 3 S- 0 0 176 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.312 120.6-104.2 -93.5 6.5 11.4 17.4 28.4 80 86 A G S < S+ 0 0 49 -3,-1.6 2,-0.3 1,-0.3 -53,-0.2 0.597 74.2 142.6 87.8 5.4 12.5 21.0 28.4 81 87 A R - 0 0 61 -55,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.620 55.0-113.8 -82.9 142.5 11.4 21.8 24.9 82 88 A G E -dF 28 76A 0 -55,-2.7 -53,-3.2 -2,-0.3 2,-0.7 -0.367 23.4-141.3 -63.5 144.2 9.8 25.1 24.0 83 89 A L E +d 29 0A 28 -8,-2.6 -12,-0.6 -55,-0.2 2,-0.3 -0.910 45.3 133.5-109.4 108.1 6.1 24.9 23.0 84 90 A A E -dE 30 70A 0 -55,-1.8 -53,-2.5 -2,-0.7 2,-0.4 -0.956 60.8-108.0-150.6 168.3 5.5 27.3 20.1 85 91 A Y E - E 0 69A 0 -16,-2.8 -16,-2.1 -2,-0.3 2,-0.4 -0.853 41.2-151.9 -91.0 133.2 4.0 28.2 16.8 86 92 A I E - E 0 68A 2 -2,-0.4 7,-3.1 -18,-0.2 8,-0.7 -0.972 8.4-162.4-116.2 131.6 7.0 28.5 14.3 87 93 A Y E -GE 92 67A 17 -20,-2.5 -20,-2.0 -2,-0.4 2,-0.5 -0.905 7.9-163.2-113.5 137.2 6.8 30.7 11.2 88 94 A A E > S-GE 91 66A 4 3,-2.6 3,-2.0 -2,-0.4 -22,-0.2 -0.983 84.1 -22.8-118.6 115.1 9.1 30.6 8.2 89 95 A D T 3 S- 0 0 59 -24,-3.0 -1,-0.2 -2,-0.5 -23,-0.1 0.895 130.0 -48.3 47.6 48.0 8.8 33.8 6.2 90 96 A G T 3 S+ 0 0 51 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.411 115.5 115.3 83.3 -8.9 5.4 34.5 7.7 91 97 A K E < -G 88 0A 128 -3,-2.0 -3,-2.6 4,-0.0 2,-0.3 -0.862 68.3-124.9-102.8 123.7 4.1 31.0 7.0 92 98 A M E > -G 87 0A 17 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.458 12.8-155.5 -70.8 123.8 3.2 28.9 10.1 93 99 A V H > S+ 0 0 1 -7,-3.1 4,-2.1 -2,-0.3 5,-0.2 0.905 92.5 55.7 -64.6 -39.5 5.0 25.6 9.9 94 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.931 111.2 42.9 -60.7 -40.6 2.5 23.9 12.1 95 101 A E H > S+ 0 0 42 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.902 109.5 57.7 -70.7 -41.4 -0.4 24.8 9.8 96 102 A A H X S+ 0 0 17 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.900 106.0 49.5 -58.6 -40.8 1.5 24.0 6.7 97 103 A L H <>S+ 0 0 0 -4,-2.1 5,-2.8 -5,-0.2 6,-0.4 0.941 113.4 46.2 -60.3 -43.5 2.1 20.4 7.8 98 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.6 -5,-0.2 5,-0.2 0.926 108.6 54.5 -67.3 -43.8 -1.6 20.0 8.6 99 105 A R H 3<5S+ 0 0 70 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.803 109.1 50.3 -58.5 -31.6 -2.8 21.5 5.3 100 106 A Q T 3<5S- 0 0 80 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.332 116.4-110.4 -88.9 5.2 -0.6 19.0 3.4 101 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.8 2,-0.2 33,-0.2 0.839 88.1 115.9 70.1 29.0 -1.9 15.9 5.3 102 108 A L S - 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