==== 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 13-NOV-05 2F0F . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 66.2 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 . 33 24.3 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 . 3 2.2 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 . 8 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 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 . 2 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 0 236 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 111.5 62.6 21.8 -8.0 2 7 A L - 0 0 53 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.404 360.0-173.8 -67.3 143.5 60.2 24.3 -6.5 3 8 A H - 0 0 115 68,-0.2 68,-0.5 69,-0.1 2,-0.3 -0.957 21.3-116.6-135.1 158.4 61.7 27.2 -4.7 4 9 A K E -A 70 0A 99 -2,-0.3 66,-0.2 66,-0.2 83,-0.0 -0.676 22.5-162.3 -95.2 149.9 60.3 30.1 -2.6 5 10 A E E -A 69 0A 33 64,-2.4 64,-2.6 -2,-0.3 2,-0.0 -0.961 26.9-104.6-127.5 144.9 60.5 33.7 -3.5 6 11 A P E +A 68 0A 108 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.338 43.1 169.6 -68.7 153.1 60.0 36.7 -1.2 7 12 A A E -A 67 0A 13 60,-1.6 60,-0.6 15,-0.1 2,-0.4 -0.924 27.0-125.3-153.0 168.1 56.8 38.7 -1.5 8 13 A T E -D 21 0B 96 13,-1.7 13,-3.4 -2,-0.3 58,-0.0 -0.991 24.6-118.3-128.7 129.1 55.0 41.4 0.5 9 14 A L E +D 20 0B 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.299 33.7 167.5 -62.0 135.9 51.5 41.3 1.9 10 15 A I E - 0 0 74 9,-2.4 2,-0.3 1,-0.3 10,-0.2 0.716 65.5 -30.0-108.9 -50.3 49.2 43.9 0.5 11 16 A K E -D 19 0B 124 8,-2.2 8,-4.0 0, 0.0 2,-0.4 -0.933 48.2-126.8-168.7 139.6 45.8 42.6 1.7 12 17 A A E +D 18 0B 16 -2,-0.3 6,-0.2 6,-0.3 3,-0.1 -0.763 26.2 175.1 -87.9 138.1 44.0 39.4 2.6 13 18 A I - 0 0 33 4,-2.5 2,-0.3 1,-0.4 5,-0.2 0.715 58.8 -13.0-115.6 -36.4 40.7 39.0 0.8 14 19 A D S S- 0 0 6 3,-1.8 -1,-0.4 39,-0.1 3,-0.3 -0.908 77.9 -85.4-157.1 178.9 39.2 35.6 1.6 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.887 130.7 32.1 -63.4 -32.0 40.3 32.3 3.1 16 21 A D S S+ 0 0 3 21,-0.1 15,-2.9 20,-0.1 2,-0.4 0.439 115.0 63.4-105.0 -4.0 41.7 31.2 -0.2 17 22 A T E + E 0 30B 11 -3,-0.3 -4,-2.5 13,-0.2 -3,-1.8 -0.952 50.1 172.2-136.7 127.1 42.8 34.6 -1.7 18 23 A V E -DE 12 29B 0 11,-2.1 11,-2.4 -2,-0.4 2,-0.5 -0.974 28.1-131.3-133.0 143.3 45.4 37.2 -0.9 19 24 A K E +DE 11 28B 84 -8,-4.0 -9,-2.4 -2,-0.4 -8,-2.2 -0.830 36.9 176.3 -92.1 129.1 46.7 40.3 -2.6 20 25 A I E -DE 9 27B 0 7,-2.6 7,-2.0 -2,-0.5 2,-0.8 -0.947 36.5-121.7-136.3 146.5 50.5 40.3 -2.6 21 26 A M E -DE 8 26B 70 -13,-3.4 -13,-1.7 -2,-0.3 2,-0.5 -0.841 39.0-179.3 -88.7 110.9 53.3 42.5 -4.0 22 27 A Y E > - E 0 25B 20 3,-2.5 3,-1.4 -2,-0.8 -15,-0.1 -0.976 65.7 -18.6-124.7 122.2 55.3 40.1 -6.2 23 28 A K T 3 S- 0 0 169 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.888 130.0 -52.0 41.8 51.6 58.4 41.2 -8.1 24 29 A G T 3 S+ 0 0 68 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.557 119.1 107.2 67.7 19.3 57.2 44.8 -7.6 25 30 A Q E < -E 22 0B 117 -3,-1.4 -3,-2.5 2,-0.0 -1,-0.1 -0.974 69.8-125.5-129.1 124.1 53.7 44.2 -9.0 26 31 A P E +E 21 0B 63 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.442 42.5 169.4 -65.4 140.0 50.5 44.0 -7.0 27 32 A M E -E 20 0B 44 -7,-2.0 -7,-2.6 -2,-0.1 2,-0.4 -0.998 36.5-122.1-152.4 147.0 48.8 40.7 -7.8 28 33 A T E -E 19 0B 32 -2,-0.3 55,-2.9 -9,-0.2 2,-0.4 -0.811 31.0-160.1 -92.6 136.0 45.9 38.5 -6.5 29 34 A F E -Ef 18 83B 0 -11,-2.4 -11,-2.1 -2,-0.4 2,-0.5 -0.949 9.7-154.2-121.5 135.3 46.9 35.0 -5.5 30 35 A R E -Ef 17 84B 36 53,-3.2 55,-1.7 -2,-0.4 2,-0.5 -0.905 31.1-114.0-103.8 130.7 44.7 32.0 -5.2 31 36 A L E > - f 0 85B 1 -15,-2.9 3,-1.0 -2,-0.5 55,-0.2 -0.546 35.1-119.1 -70.7 120.4 46.0 29.3 -2.7 32 37 A L T 3 S+ 0 0 13 53,-2.3 55,-0.1 -2,-0.5 -1,-0.1 -0.277 82.4 1.7 -53.8 133.3 46.9 26.1 -4.6 33 38 A L T 3 S+ 0 0 13 75,-0.1 74,-2.2 80,-0.1 2,-0.4 0.377 104.6 96.6 75.7 5.6 45.1 22.9 -3.8 34 39 A V E < -H 106 0C 1 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.953 50.5-158.9-129.0 147.5 42.6 24.0 -1.2 35 40 A D E -H 105 0C 62 70,-2.7 70,-1.9 -2,-0.4 3,-0.1 -0.956 16.0-171.5-123.0 114.6 39.0 25.1 -1.1 36 41 A T - 0 0 9 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.663 37.2 -95.6 -96.3 154.9 37.9 27.1 1.9 37 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.398 55.4-126.6 -62.7 149.6 34.3 28.1 2.7 38 43 A E - 0 0 43 1,-0.1 9,-2.0 -24,-0.1 12,-0.3 -0.756 35.8-173.0-112.5 154.4 33.7 31.5 1.2 39 44 A T S S+ 0 0 35 -2,-0.3 -1,-0.1 11,-0.3 -25,-0.1 0.556 103.3 42.6-101.4 -22.7 32.6 34.9 2.3 40 45 A K S S+ 0 0 121 10,-0.1 6,-0.2 6,-0.0 -1,-0.1 -0.177 79.8 159.1-113.4 36.4 32.7 36.1 -1.3 41 46 A H B > -I 45 0D 56 4,-2.5 4,-0.5 1,-0.2 9,-0.0 -0.446 40.1-141.1 -59.9 125.6 31.2 33.0 -2.8 42 47 A P T 4 S+ 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.867 94.1 27.7 -58.4 -35.2 29.9 34.0 -6.2 43 48 A K T 4 S+ 0 0 180 2,-0.1 -2,-0.1 -3,-0.0 0, 0.0 0.937 133.5 19.9 -95.8 -58.1 26.8 31.9 -5.7 44 49 A K T 4 S- 0 0 185 1,-0.2 2,-0.7 -4,-0.0 -1,-0.0 0.717 87.3-145.5 -96.1 -18.3 25.8 31.4 -2.1 45 50 A G B < +I 41 0D 26 -4,-0.5 -4,-2.5 1,-0.1 2,-0.5 -0.822 68.4 14.4 108.8-102.7 27.6 34.3 -0.4 46 51 A V S S- 0 0 93 -2,-0.7 -7,-0.3 -6,-0.2 3,-0.1 -0.773 77.4-167.4-118.4 78.7 29.0 33.8 3.2 47 52 A E > - 0 0 62 -9,-2.0 3,-1.7 -2,-0.5 2,-0.3 -0.038 37.1 -71.2 -65.2 170.6 29.0 30.0 3.8 48 53 A K T 3 S+ 0 0 136 1,-0.3 -1,-0.2 2,-0.2 -10,-0.1 -0.525 123.3 13.7 -71.3 124.6 29.5 28.3 7.2 49 54 A Y T 3> S+ 0 0 43 -2,-0.3 4,-3.4 -3,-0.1 5,-0.3 0.273 95.9 115.5 87.4 -1.0 33.1 28.6 8.4 50 55 A G H <> S+ 0 0 0 -3,-1.7 4,-2.3 -12,-0.3 -11,-0.3 0.954 77.6 42.6 -57.0 -56.2 33.7 31.3 5.7 51 56 A P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.930 116.8 50.5 -61.1 -40.9 34.3 34.1 8.2 52 57 A E H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.904 110.6 45.8 -60.4 -48.2 36.5 31.7 10.2 53 58 A A H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 5,-0.2 0.919 114.6 53.4 -61.6 -36.6 38.6 30.5 7.3 54 59 A S H X S+ 0 0 27 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.884 107.6 45.2 -65.9 -43.9 38.9 34.1 6.4 55 60 A A H X S+ 0 0 42 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.880 111.0 56.4 -72.4 -31.8 40.1 35.5 9.7 56 61 A F H X S+ 0 0 57 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.970 109.0 43.4 -61.7 -53.0 42.6 32.7 10.0 57 62 A T H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.4 0.940 115.8 51.1 -58.8 -44.6 44.3 33.4 6.7 58 63 A K H X S+ 0 0 92 -4,-1.7 4,-3.0 -5,-0.2 5,-0.2 0.955 112.2 44.1 -54.1 -56.2 44.3 37.1 7.5 59 64 A K H X S+ 0 0 136 -4,-3.1 4,-3.2 1,-0.2 -2,-0.2 0.949 114.8 50.9 -58.6 -47.7 45.8 36.7 10.9 60 65 A M H < S+ 0 0 36 -4,-2.8 4,-0.3 -5,-0.3 -2,-0.2 0.951 117.4 35.6 -55.8 -57.9 48.4 34.3 9.6 61 66 A V H >< S+ 0 0 3 -4,-3.1 3,-1.0 1,-0.2 -1,-0.2 0.890 118.5 54.2 -66.4 -35.0 49.6 36.4 6.7 62 67 A E H 3< S+ 0 0 90 -4,-3.0 -2,-0.2 -5,-0.4 -1,-0.2 0.908 108.7 45.0 -68.8 -40.3 49.1 39.6 8.7 63 68 A N T 3< S+ 0 0 128 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.375 90.8 114.9 -85.3 7.6 51.3 38.6 11.7 64 69 A A < - 0 0 24 -3,-1.0 3,-0.2 -4,-0.3 -3,-0.0 -0.465 54.4-157.6 -85.9 150.9 54.1 37.2 9.7 65 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.879 86.9 28.1 -76.6 -44.2 57.6 38.6 9.5 66 71 A K - 0 0 129 -58,-0.0 24,-3.4 2,-0.0 2,-0.4 -0.990 62.3-170.2-130.2 120.1 58.2 36.9 6.2 67 72 A I E +AB 7 89A 16 -60,-0.6 -60,-1.6 -2,-0.4 2,-0.3 -0.896 14.0 176.3-104.9 138.4 55.9 36.0 3.3 68 73 A E E -AB 6 88A 50 20,-2.1 20,-2.7 -2,-0.4 2,-0.4 -0.987 17.2-146.0-136.4 151.2 57.1 33.8 0.5 69 74 A V E -AB 5 87A 0 -64,-2.6 -64,-2.4 -2,-0.3 2,-0.4 -0.914 7.1-164.3-117.4 147.5 55.4 32.3 -2.5 70 75 A E E -AB 4 86A 10 16,-2.3 16,-2.8 -2,-0.4 -66,-0.2 -0.966 9.7-150.9-131.4 115.3 56.2 29.0 -4.1 71 76 A F - 0 0 11 -68,-0.5 -68,-0.2 -2,-0.4 14,-0.2 -0.436 14.7-131.3 -79.6 153.9 54.9 28.2 -7.6 72 77 A D - 0 0 7 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.199 33.7 -92.7 -92.1-165.9 54.2 24.6 -8.6 73 78 A K S S+ 0 0 130 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.535 102.1 60.2 -89.5 -7.2 55.4 23.0 -11.9 74 79 A G S S- 0 0 18 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.119 106.6 -25.2 -97.6-149.0 52.4 23.7 -14.0 75 80 A Q - 0 0 115 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.270 50.8-152.2 -61.2 145.2 50.7 27.0 -15.0 76 81 A R S S+ 0 0 115 -3,-0.1 8,-3.1 -5,-0.1 2,-0.3 0.593 73.5 43.8-106.0 -5.1 51.3 29.8 -12.6 77 82 A T B S-G 83 0B 78 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.979 73.5-135.5-131.1 152.2 48.1 31.9 -13.2 78 83 A D > - 0 0 31 4,-2.4 3,-1.9 -2,-0.3 -2,-0.1 -0.300 42.5 -86.6 -92.1-174.5 44.5 30.9 -13.5 79 84 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.608 126.1 59.6 -70.4 -5.2 41.9 32.1 -16.0 80 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.425 120.9-104.2 -99.8 3.3 41.1 35.1 -13.7 81 86 A G S < S+ 0 0 48 -3,-1.9 2,-0.2 1,-0.3 -53,-0.2 0.390 75.3 143.5 93.3 -6.7 44.6 36.4 -13.8 82 87 A R - 0 0 61 -55,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.440 54.2-117.4 -73.2 133.5 45.2 35.1 -10.2 83 88 A G E -fG 29 77B 0 -55,-2.9 -53,-3.2 -6,-0.2 2,-0.6 -0.443 24.6-140.1 -63.5 143.6 48.6 33.7 -9.3 84 89 A L E +f 30 0B 26 -8,-3.1 -12,-0.5 -55,-0.2 2,-0.3 -0.923 45.1 116.4-106.9 119.7 48.5 30.0 -8.4 85 90 A A E -f 31 0B 0 -55,-1.7 -53,-2.3 -2,-0.6 2,-0.5 -0.991 63.6 -93.4-170.7 171.9 50.8 29.1 -5.5 86 91 A Y E -B 70 0A 0 -16,-2.8 -16,-2.3 -2,-0.3 2,-0.4 -0.870 41.5-149.3 -97.6 131.4 51.7 27.8 -2.1 87 92 A I E -B 69 0A 0 -2,-0.5 7,-2.6 -18,-0.2 8,-0.7 -0.928 6.8-158.7-108.8 134.6 52.0 30.7 0.4 88 93 A Y E -BC 68 93A 18 -20,-2.7 -20,-2.1 -2,-0.4 2,-0.6 -0.951 6.1-166.3-112.5 126.8 54.4 30.6 3.4 89 94 A A E > S-BC 67 92A 3 3,-2.8 3,-2.0 -2,-0.4 -22,-0.2 -0.982 83.9 -26.2-110.2 110.6 54.1 32.8 6.5 90 95 A D T 3 S- 0 0 51 -24,-3.4 -1,-0.2 -2,-0.6 -23,-0.1 0.841 129.0 -46.1 44.0 48.4 57.3 32.6 8.4 91 96 A G T 3 S+ 0 0 51 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.333 116.4 111.8 88.9 -10.6 58.1 29.2 7.0 92 97 A K E < S-C 89 0A 130 -3,-2.0 -3,-2.8 4,-0.0 2,-0.6 -0.878 70.1-123.0-104.4 131.4 54.7 27.7 7.6 93 98 A M E > -C 88 0A 14 -2,-0.5 4,-2.7 -5,-0.2 -5,-0.3 -0.567 13.8-157.6 -78.6 115.6 52.5 26.9 4.6 94 99 A V H > S+ 0 0 0 -7,-2.6 4,-2.2 -2,-0.6 5,-0.2 0.887 91.8 57.6 -58.7 -36.4 49.2 28.7 4.9 95 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.923 111.1 42.1 -66.4 -36.6 47.5 26.2 2.6 96 101 A E H > S+ 0 0 44 1,-0.2 4,-3.0 -3,-0.2 -1,-0.2 0.917 109.5 57.2 -73.9 -41.7 48.4 23.3 4.9 97 102 A A H X S+ 0 0 18 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.905 106.2 51.6 -52.7 -43.4 47.6 25.2 8.0 98 103 A L H <>S+ 0 0 0 -4,-2.2 5,-3.0 -5,-0.2 6,-0.6 0.906 112.8 44.1 -60.9 -42.6 44.1 25.8 6.7 99 104 A V H ><5S+ 0 0 0 -4,-1.3 3,-1.0 4,-0.2 -2,-0.2 0.867 111.1 53.6 -72.5 -40.1 43.5 22.1 6.0 100 105 A R H 3<5S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 109.1 49.8 -65.1 -32.2 45.1 20.9 9.2 101 106 A Q T 3<5S- 0 0 84 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.385 115.8-113.4 -85.7 -0.6 42.7 23.2 11.2 102 107 A G T < 5S+ 0 0 0 -3,-1.0 32,-2.4 2,-0.2 -3,-0.2 0.855 87.4 115.7 73.7 27.5 39.6 21.9 9.3 103 108 A L S - 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