==== 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 2EYF . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 68.1 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 . 33 24.4 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 . 9 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.7 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 . 1 2 1 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 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 81 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 161.4 -12.5 23.5 -6.9 2 8 A H - 0 0 122 68,-0.4 68,-0.4 69,-0.1 2,-0.3 -0.994 360.0-113.3-156.2 154.7 -13.9 20.5 -5.1 3 9 A K - 0 0 94 -2,-0.3 66,-0.2 66,-0.1 83,-0.0 -0.600 23.8-167.6 -92.4 146.7 -12.6 17.7 -3.0 4 10 A E E -A 68 0A 35 64,-2.5 64,-3.5 -2,-0.3 2,-0.1 -0.986 25.7-107.4-129.0 149.8 -12.6 14.0 -3.8 5 11 A P E +A 67 0A 99 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.335 38.1 168.9 -73.9 151.1 -11.9 11.0 -1.6 6 12 A A E -A 66 0A 12 60,-2.0 60,-0.7 15,-0.1 2,-0.4 -0.937 27.3-125.8-150.0 168.2 -8.7 9.0 -1.8 7 13 A T E -B 20 0A 96 13,-1.9 13,-2.7 -2,-0.3 2,-0.1 -0.959 27.8-112.6-121.1 135.7 -7.1 6.3 0.3 8 14 A L E +B 19 0A 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.380 37.6 165.4 -63.4 139.3 -3.6 6.4 1.7 9 15 A I E - 0 0 73 9,-2.5 2,-0.3 1,-0.2 10,-0.2 0.675 67.1 -20.6-113.5 -51.8 -1.2 3.9 0.2 10 16 A K E -B 18 0A 124 8,-2.2 8,-3.4 0, 0.0 2,-0.4 -0.940 49.9-133.4-156.6 132.1 2.1 5.2 1.3 11 17 A A E -B 17 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.741 24.8-177.6 -77.5 138.1 3.7 8.5 2.5 12 18 A I E - 0 0 51 4,-2.5 2,-0.2 1,-0.4 5,-0.2 0.839 53.8 -43.2-105.4 -53.6 6.9 9.0 0.6 13 19 A D E > S-B 16 0A 4 3,-2.1 3,-0.6 39,-0.1 -1,-0.4 -0.796 81.8 -52.1-154.7-156.8 8.4 12.1 1.9 14 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 1,-0.2 83,-0.1 0.841 132.6 17.1 -58.6 -40.7 7.5 15.7 3.0 15 21 A D T 3 S+ 0 0 6 21,-0.1 15,-2.8 20,-0.1 2,-0.4 0.217 114.2 74.7-124.9 19.1 5.7 16.6 -0.2 16 22 A T E < +BC 13 29A 13 -3,-0.6 -4,-2.5 13,-0.2 -3,-2.1 -0.988 48.2 167.1-135.4 127.7 5.0 13.3 -1.9 17 23 A V E -BC 11 28A 1 11,-2.0 11,-3.7 -2,-0.4 2,-0.5 -0.981 28.7-133.8-134.5 148.0 2.4 10.7 -1.0 18 24 A K E +BC 10 27A 66 -8,-3.4 -9,-2.5 -2,-0.3 -8,-2.2 -0.917 33.8 174.8-101.2 125.7 1.0 7.7 -2.8 19 25 A L E -BC 8 26A 0 7,-2.8 7,-2.8 -2,-0.5 2,-0.6 -0.881 37.3-118.8-128.0 158.1 -2.8 7.4 -2.8 20 26 A M E -BC 7 25A 67 -13,-2.7 -13,-1.9 -2,-0.3 2,-0.5 -0.891 39.6-180.0 -91.8 117.6 -5.5 5.2 -4.3 21 27 A Y E > - C 0 24A 29 3,-2.4 3,-1.4 -2,-0.6 -15,-0.1 -0.974 64.9 -18.8-130.3 121.2 -7.5 7.6 -6.4 22 28 A K T 3 S- 0 0 128 -2,-0.5 -1,-0.1 -17,-0.4 -16,-0.1 0.863 130.4 -48.3 48.7 43.0 -10.6 6.4 -8.3 23 29 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.0 -17,-0.0 0.465 119.9 90.9 87.2 -1.1 -9.3 2.8 -8.1 24 30 A Q E < S-C 21 0A 94 -3,-1.4 -3,-2.4 2,-0.0 -1,-0.2 -0.977 77.1-110.8-131.0 145.3 -5.7 3.2 -9.2 25 31 A P E +C 20 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.481 43.1 175.9 -67.3 141.1 -2.5 3.9 -7.2 26 32 A M E -C 19 0A 38 -7,-2.8 -7,-2.8 -2,-0.1 2,-0.5 -0.995 30.5-130.5-145.9 141.1 -1.1 7.3 -8.0 27 33 A T E -C 18 0A 44 -2,-0.3 55,-2.6 53,-0.3 2,-0.4 -0.815 27.7-157.9 -88.2 132.0 1.8 9.4 -6.7 28 34 A F E -Cd 17 82A 0 -11,-3.7 -11,-2.0 -2,-0.5 2,-0.5 -0.948 7.9-154.6-114.8 134.5 0.7 12.9 -5.7 29 35 A R E -Cd 16 83A 42 53,-3.1 55,-1.5 -2,-0.4 2,-0.4 -0.900 30.7-114.8 -98.5 130.3 3.0 15.9 -5.4 30 36 A L E > - d 0 84A 2 -15,-2.8 3,-1.0 -2,-0.5 55,-0.2 -0.511 34.5-119.7 -69.2 123.3 1.7 18.6 -3.0 31 37 A L T 3 S+ 0 0 13 53,-2.6 55,-0.1 -2,-0.4 -1,-0.1 -0.348 81.9 2.4 -60.8 138.2 0.9 21.8 -4.9 32 38 A L T 3 S+ 0 0 11 75,-0.2 74,-1.5 1,-0.1 2,-0.4 0.382 104.7 100.3 79.3 5.1 2.7 25.1 -4.1 33 39 A V E < -H 105 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.965 50.4-159.6-132.1 147.9 5.1 23.8 -1.4 34 40 A D E -H 104 0B 52 70,-2.6 70,-2.1 -2,-0.4 3,-0.0 -0.983 13.9-172.0-115.3 112.6 8.7 22.9 -1.3 35 41 A T - 0 0 11 -2,-0.5 68,-0.2 68,-0.2 14,-0.1 -0.694 36.2 -93.9 -99.3 158.3 9.9 20.6 1.6 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 2,-0.1 -0.413 51.8-107.4 -63.5 148.4 13.5 19.8 2.4 37 43 A E - 0 0 32 1,-0.1 9,-1.7 2,-0.1 12,-0.2 -0.394 27.2-172.2 -83.8 151.7 14.6 16.5 0.8 38 44 A V S S+ 0 0 43 7,-0.2 -1,-0.1 11,-0.2 2,-0.1 0.619 79.3 21.9-113.7 -26.2 15.2 13.2 2.4 39 45 A K + 0 0 78 6,-0.1 5,-0.4 10,-0.0 4,-0.3 -0.171 66.9 113.4-116.5-150.5 16.7 11.4 -0.6 40 46 A H >> - 0 0 90 3,-0.1 4,-2.5 2,-0.1 3,-0.7 0.893 66.7-116.9 74.8 101.2 18.3 12.6 -3.9 41 47 A P T 34 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.629 102.5 80.3 -38.3 -32.8 21.9 11.7 -4.3 42 48 A K T 34 S- 0 0 117 1,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.960 128.5 -23.1 -40.2 -80.4 22.8 15.4 -4.4 43 49 A K T <4 S- 0 0 107 -3,-0.7 2,-1.4 -4,-0.3 -1,-0.2 0.645 80.6-154.7-111.6 -17.9 22.8 16.0 -0.6 44 50 A G S < S+ 0 0 18 -4,-2.5 2,-0.8 -5,-0.4 -1,-0.2 -0.656 75.5 29.8 81.9 -91.5 20.5 13.1 0.4 45 51 A V S S- 0 0 87 -2,-1.4 -7,-0.2 -4,-0.1 3,-0.1 -0.796 74.9-165.6-108.3 93.8 19.0 14.4 3.6 46 52 A E > - 0 0 64 -9,-1.7 3,-1.4 -2,-0.8 2,-0.2 -0.294 42.1 -77.2 -67.0 163.3 18.7 18.2 3.8 47 53 A K T 3 S+ 0 0 145 1,-0.3 -1,-0.1 2,-0.2 -10,-0.1 -0.424 120.2 13.4 -65.3 129.8 18.0 19.8 7.2 48 54 A Y T 3> S+ 0 0 41 -2,-0.2 4,-2.8 -3,-0.1 5,-0.3 0.291 96.5 115.1 78.8 -4.2 14.3 19.5 8.3 49 55 A G H <> S+ 0 0 1 -3,-1.4 4,-2.2 -12,-0.2 5,-0.2 0.984 77.5 41.4 -53.5 -59.5 13.9 16.9 5.6 50 56 A P H > S+ 0 0 63 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.903 115.4 53.2 -60.9 -34.2 13.3 14.1 8.0 51 57 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.882 109.8 44.8 -66.4 -42.2 11.0 16.3 10.1 52 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.905 113.5 53.5 -67.7 -38.2 8.8 17.4 7.3 53 59 A S H X S+ 0 0 23 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.944 110.2 44.8 -61.1 -48.1 8.6 13.8 6.2 54 60 A A H X S+ 0 0 47 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.897 112.7 53.2 -68.8 -31.2 7.5 12.6 9.6 55 61 A F H X S+ 0 0 58 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.970 111.4 43.5 -66.0 -50.4 5.0 15.4 9.8 56 62 A T H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.959 116.3 50.5 -57.1 -45.4 3.4 14.6 6.5 57 63 A K H X S+ 0 0 72 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.925 111.5 44.6 -60.3 -48.4 3.4 10.9 7.3 58 64 A K H X S+ 0 0 84 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.937 112.1 54.3 -67.8 -37.9 1.9 11.2 10.7 59 65 A M H < S+ 0 0 32 -4,-2.5 4,-0.3 -5,-0.3 -2,-0.2 0.934 116.4 35.0 -64.2 -40.1 -0.7 13.6 9.4 60 66 A V H >< S+ 0 0 4 -4,-2.5 3,-0.7 -5,-0.2 -1,-0.2 0.885 116.5 53.5 -84.6 -30.4 -2.0 11.3 6.6 61 67 A E H 3< S+ 0 0 84 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.850 110.9 46.5 -69.2 -29.8 -1.5 8.1 8.5 62 68 A N T 3< S+ 0 0 131 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.499 91.9 106.6 -87.7 -1.8 -3.6 9.2 11.5 63 69 A A < - 0 0 21 -3,-0.7 3,-0.1 -4,-0.3 -3,-0.0 -0.398 55.2-158.8 -78.9 150.0 -6.4 10.6 9.4 64 70 A K S S+ 0 0 190 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.813 84.8 31.9 -93.9 -25.8 -9.7 8.9 9.1 65 71 A K - 0 0 115 -58,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.998 65.0-168.6-127.1 131.7 -10.6 10.7 5.8 66 72 A I E -AE 6 88A 13 -60,-0.7 -60,-2.0 -2,-0.4 2,-0.4 -0.956 11.0-177.2-112.6 132.1 -8.1 11.8 3.0 67 73 A E E -AE 5 87A 42 20,-2.2 20,-3.1 -2,-0.4 2,-0.4 -0.977 13.1-149.5-127.2 147.1 -9.4 14.1 0.2 68 74 A V E -AE 4 86A 1 -64,-3.5 -64,-2.5 -2,-0.4 2,-0.4 -0.911 5.8-164.0-114.6 144.6 -7.6 15.5 -2.8 69 75 A E E - E 0 85A 8 16,-2.6 16,-2.7 -2,-0.4 -66,-0.1 -0.935 7.5-154.2-126.3 107.0 -8.3 18.8 -4.4 70 76 A F E - E 0 84A 24 -2,-0.4 -68,-0.4 -68,-0.4 14,-0.2 -0.434 16.6-132.6 -73.3 151.6 -7.0 19.5 -8.0 71 77 A D - 0 0 1 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.077 32.6 -90.7 -89.6-162.1 -6.5 23.1 -9.0 72 78 A K S S+ 0 0 132 39,-0.6 40,-0.2 -2,-0.0 3,-0.1 0.651 102.7 56.2 -91.5 -15.8 -7.7 24.7 -12.3 73 79 A G S S- 0 0 16 1,-0.3 37,-0.1 38,-0.1 2,-0.0 0.239 108.3 -20.4 -92.7-149.0 -4.6 24.0 -14.5 74 80 A Q - 0 0 116 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.291 50.4-156.3 -65.6 144.3 -2.8 20.8 -15.4 75 81 A R S S+ 0 0 112 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.492 73.2 44.4-108.1 -3.5 -3.5 18.0 -13.0 76 82 A T B S-F 82 0A 78 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.966 73.0-138.1-133.1 153.0 -0.3 15.9 -13.6 77 83 A D > - 0 0 32 4,-1.9 3,-2.1 -2,-0.3 -2,-0.1 -0.438 42.8 -86.1 -98.7-176.5 3.3 17.0 -13.9 78 84 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.680 127.6 58.6 -65.7 -13.7 5.9 15.7 -16.4 79 85 A Y T 3 S- 0 0 158 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.358 120.7-107.0 -96.2 8.6 6.7 12.8 -14.1 80 86 A G S < S+ 0 0 51 -3,-2.1 2,-0.3 1,-0.3 -53,-0.3 0.538 72.3 146.2 78.5 10.4 3.1 11.6 -14.1 81 87 A R - 0 0 65 -55,-0.1 -4,-1.9 -53,-0.1 -1,-0.3 -0.606 52.9-116.6 -80.9 137.5 2.5 12.8 -10.6 82 88 A G E -dF 28 76A 0 -55,-2.6 -53,-3.1 -2,-0.3 2,-0.6 -0.448 23.3-142.0 -65.6 145.1 -0.9 14.2 -9.6 83 89 A L E +d 29 0A 25 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.922 44.0 131.5-111.3 107.0 -0.8 17.9 -8.7 84 90 A A E -dE 30 70A 0 -55,-1.5 -53,-2.6 -2,-0.6 2,-0.4 -0.940 60.8-106.4-152.5 168.8 -3.1 18.6 -5.8 85 91 A Y E - E 0 69A 0 -16,-2.7 -16,-2.6 -2,-0.3 2,-0.5 -0.863 41.9-147.8 -92.1 130.5 -4.0 20.0 -2.4 86 92 A I E - E 0 68A 1 -2,-0.4 7,-2.7 -18,-0.2 8,-0.7 -0.938 9.7-160.6-109.6 133.3 -4.3 17.2 0.1 87 93 A Y E -GE 92 67A 17 -20,-3.1 -20,-2.2 -2,-0.5 2,-0.5 -0.928 6.5-165.1-113.1 131.7 -6.7 17.3 3.0 88 94 A A E > S-GE 91 66A 6 3,-2.8 3,-1.9 -2,-0.4 -22,-0.2 -0.978 82.4 -26.3-114.6 113.5 -6.5 15.1 6.2 89 95 A D T 3 S- 0 0 73 -24,-2.7 -1,-0.2 -2,-0.5 -23,-0.1 0.868 129.8 -46.1 45.4 47.1 -9.7 15.1 8.2 90 96 A G T 3 S+ 0 0 50 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.413 116.2 111.5 87.0 -7.2 -10.5 18.5 6.7 91 97 A K E < -G 88 0A 114 -3,-1.9 -3,-2.8 4,-0.0 2,-0.4 -0.920 69.9-122.1-108.8 127.2 -7.1 20.2 7.3 92 98 A M E > -G 87 0A 16 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.463 13.8-157.1 -67.9 117.2 -4.9 21.0 4.3 93 99 A V H > S+ 0 0 0 -7,-2.7 4,-2.1 -2,-0.4 5,-0.2 0.904 92.6 58.8 -59.0 -38.5 -1.5 19.2 4.6 94 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.916 109.7 41.9 -59.6 -42.1 0.1 21.7 2.3 95 101 A E H > S+ 0 0 34 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.925 110.3 56.6 -72.5 -41.6 -0.9 24.6 4.6 96 102 A A H X S+ 0 0 5 -4,-2.3 4,-1.7 1,-0.2 6,-0.2 0.908 106.9 50.6 -55.2 -40.8 0.0 22.8 7.9 97 103 A L H <>S+ 0 0 0 -4,-2.1 5,-2.9 -5,-0.2 6,-0.6 0.946 114.9 42.1 -61.3 -45.9 3.6 22.2 6.6 98 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-2.1 -5,-0.2 5,-0.2 0.929 109.7 56.7 -69.1 -45.1 4.0 25.8 5.7 99 105 A R H 3<5S+ 0 0 69 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 108.9 50.0 -55.8 -32.1 2.4 27.0 8.9 100 106 A Q T 3<5S- 0 0 78 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.257 115.5-110.8 -90.2 9.3 5.0 25.0 10.9 101 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.6 2,-0.2 -3,-0.2 0.782 88.8 116.3 65.9 25.1 8.1 26.2 9.1 102 108 A L S - 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