==== 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 2F0I . 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) . 7882.0 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 . 32 23.5 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 . 10 7.4 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 . 27 19.9 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 2 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 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 0 243 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.7 22.1 63.3 7.6 2 7 A L - 0 0 51 68,-0.1 2,-0.3 1,-0.1 70,-0.1 -0.269 360.0-162.7 -57.3 146.1 24.5 60.6 6.3 3 8 A H - 0 0 107 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.989 14.2-126.3-136.3 145.3 27.7 62.0 4.7 4 9 A K E -A 70 0A 97 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.593 22.1-167.7 -84.7 146.1 30.3 60.6 2.4 5 10 A E E -A 69 0A 48 64,-2.7 64,-3.1 -2,-0.3 2,-0.0 -0.988 25.8-106.9-130.3 146.8 34.0 60.7 3.3 6 11 A P E +A 68 0A 105 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.278 38.5 173.2 -73.3 156.6 37.0 60.0 1.0 7 12 A A E -A 67 0A 12 60,-1.7 60,-0.6 15,-0.1 2,-0.4 -0.971 24.2-128.1-152.3 163.3 39.0 56.8 1.2 8 13 A T E -B 21 0A 97 13,-1.9 13,-3.3 -2,-0.3 2,-0.1 -0.962 27.7-111.1-124.2 138.7 41.8 55.2 -0.8 9 14 A L E +B 20 0A 47 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.342 37.0 165.3 -68.4 139.5 41.8 51.7 -2.1 10 15 A I E - 0 0 73 9,-2.2 2,-0.3 1,-0.2 10,-0.2 0.678 67.7 -28.5-110.1 -58.8 44.3 49.3 -0.6 11 16 A K E -B 19 0A 128 8,-2.0 8,-3.2 0, 0.0 2,-0.4 -0.963 48.6-127.2-157.8 135.9 43.0 46.0 -1.8 12 17 A A E +B 18 0A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.735 28.2 179.1 -78.3 135.6 39.7 44.4 -2.8 13 18 A I - 0 0 40 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.791 56.8 -21.8-106.1 -35.5 39.3 41.2 -0.8 14 19 A D S S- 0 0 5 3,-2.0 -1,-0.4 40,-0.1 3,-0.4 -0.909 77.9 -79.6-163.4 176.4 36.0 39.6 -1.9 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.821 132.3 30.1 -61.7 -28.2 32.7 40.7 -3.5 16 21 A D S S+ 0 0 3 1,-0.1 15,-2.9 20,-0.1 2,-0.4 0.421 115.0 64.6-116.3 2.6 31.6 42.0 -0.1 17 22 A T E + C 0 30A 9 -3,-0.4 -4,-2.5 13,-0.2 -3,-2.0 -0.978 50.2 171.9-135.4 130.3 34.8 43.1 1.5 18 23 A V E -BC 12 29A 4 11,-2.2 11,-3.2 -2,-0.4 2,-0.5 -0.995 26.2-135.3-136.0 142.0 37.4 45.7 0.6 19 24 A K E +BC 11 28A 80 -8,-3.2 -9,-2.2 -2,-0.4 -8,-2.0 -0.888 34.6 175.1 -95.8 125.9 40.5 47.1 2.5 20 25 A L E -BC 9 27A 1 7,-2.8 7,-2.9 -2,-0.5 2,-0.7 -0.905 37.8-118.1-130.8 154.4 40.7 50.9 2.4 21 26 A M E -BC 8 26A 68 -13,-3.3 -13,-1.9 -2,-0.3 2,-0.5 -0.854 40.9-179.0 -89.3 115.9 42.8 53.7 3.8 22 27 A Y E > - C 0 25A 17 3,-2.6 3,-2.2 -2,-0.7 -15,-0.1 -0.981 64.0 -21.1-126.9 123.4 40.4 55.7 5.9 23 28 A K T 3 S- 0 0 157 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.884 129.7 -50.1 41.4 51.5 41.4 58.8 7.8 24 29 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.345 119.1 105.3 79.0 -2.5 45.0 57.6 7.6 25 30 A Q E < S-C 22 0A 120 -3,-2.2 -3,-2.6 2,-0.0 2,-0.3 -0.886 72.1-122.9-110.8 131.7 44.3 54.0 8.9 26 31 A P E +C 21 0A 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.599 44.8 175.0 -67.1 135.2 44.2 50.8 6.9 27 32 A M E -C 20 0A 45 -7,-2.9 -7,-2.8 -2,-0.3 2,-0.5 -0.999 32.6-129.9-140.8 144.2 40.7 49.4 7.6 28 33 A T E -C 19 0A 33 -2,-0.3 55,-2.7 53,-0.3 2,-0.4 -0.825 27.5-159.4 -87.9 131.1 38.7 46.4 6.4 29 34 A F E -Cd 18 83A 1 -11,-3.2 -11,-2.2 -2,-0.5 2,-0.4 -0.942 9.4-155.2-113.9 135.1 35.2 47.4 5.2 30 35 A R E -Cd 17 84A 34 53,-3.1 55,-1.7 -2,-0.4 2,-0.5 -0.890 32.1-114.2 -95.8 131.9 32.2 45.0 4.9 31 36 A L E > - d 0 85A 3 -15,-2.9 3,-1.0 -2,-0.4 55,-0.2 -0.587 35.8-119.7 -72.1 121.2 29.6 46.3 2.4 32 37 A L T 3 S+ 0 0 14 53,-2.4 55,-0.1 -2,-0.5 -1,-0.1 -0.317 82.0 3.3 -60.2 138.6 26.4 47.2 4.3 33 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.5 80,-0.1 2,-0.4 0.380 104.7 100.6 76.6 6.0 23.1 45.4 3.5 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.959 50.0-161.5-129.2 143.1 24.3 43.0 0.9 35 40 A D E -H 105 0B 75 70,-2.9 70,-2.7 -2,-0.4 -3,-0.0 -0.968 17.2-174.2-111.7 117.9 25.3 39.3 0.8 36 41 A T - 0 0 7 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.750 38.3 -96.1-102.6 159.3 27.4 38.2 -2.1 37 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.499 53.3-131.4 -63.3 144.8 28.5 34.7 -2.9 38 43 A E - 0 0 45 1,-0.1 9,-2.2 -2,-0.1 3,-0.3 -0.705 28.5-164.2-107.9 157.1 31.9 34.3 -1.4 39 44 A T S S+ 0 0 39 -2,-0.3 2,-0.2 11,-0.2 -1,-0.1 0.611 102.5 40.2 -98.4 -25.4 35.3 33.0 -2.6 40 45 A K S S+ 0 0 143 10,-0.1 -1,-0.2 6,-0.1 6,-0.2 -0.623 81.9 164.0-120.7 59.0 36.5 32.8 1.0 41 46 A H - 0 0 40 4,-2.1 5,-0.0 -3,-0.3 0, 0.0 -0.661 43.5-126.0 -82.3 139.3 33.3 31.5 2.7 42 47 A P S S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.896 99.3 8.0 -47.5 -50.1 33.9 30.1 6.2 43 48 A K S S+ 0 0 173 2,-0.1 -2,-0.0 -3,-0.0 0, 0.0 0.887 133.5 38.3-104.4 -52.7 32.3 26.8 5.5 44 49 A K S S- 0 0 160 1,-0.2 2,-0.6 -4,-0.0 -5,-0.0 0.912 82.7-158.1 -73.4 -47.2 31.4 26.3 1.8 45 50 A G + 0 0 23 2,-0.0 -4,-2.1 0, 0.0 2,-0.8 -0.909 64.0 18.1 112.3-111.1 34.5 28.0 0.1 46 51 A V S S- 0 0 102 -2,-0.6 -7,-0.2 -6,-0.2 3,-0.1 -0.819 79.6-168.8-103.5 89.2 34.1 29.2 -3.5 47 52 A E > - 0 0 62 -9,-2.2 3,-1.4 -2,-0.8 2,-0.5 -0.215 34.5 -73.3 -76.9 171.8 30.4 29.5 -4.1 48 53 A K T 3 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.2 -9,-0.0 -0.591 120.7 10.5 -76.1 111.1 28.6 30.0 -7.4 49 54 A Y T 3> S+ 0 0 46 -2,-0.5 4,-3.2 -3,-0.1 5,-0.3 0.213 97.5 115.5 97.6 0.6 28.9 33.6 -8.7 50 55 A G H <> S+ 0 0 0 -3,-1.4 4,-2.5 -12,-0.2 -11,-0.2 0.933 76.4 43.0 -59.7 -54.7 31.5 34.2 -6.0 51 56 A P H > S+ 0 0 61 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.945 116.9 49.7 -60.8 -40.9 34.4 34.8 -8.4 52 57 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 112.3 44.9 -64.8 -41.7 32.1 36.9 -10.5 53 58 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-0.3 0.936 115.1 50.3 -67.6 -39.7 30.9 39.1 -7.6 54 59 A S H X S+ 0 0 26 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.911 110.4 48.0 -65.1 -39.2 34.4 39.3 -6.5 55 60 A A H X S+ 0 0 47 -4,-2.8 4,-2.5 -5,-0.2 5,-0.3 0.880 110.0 53.9 -70.7 -32.9 35.7 40.4 -9.9 56 61 A F H X S+ 0 0 54 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.965 109.5 45.6 -64.6 -49.0 32.9 43.0 -10.2 57 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.957 114.4 50.4 -60.7 -43.1 33.7 44.7 -6.9 58 63 A K H X S+ 0 0 89 -4,-1.9 4,-3.0 -5,-0.3 5,-0.3 0.969 111.7 44.8 -59.0 -52.7 37.4 44.7 -7.7 59 64 A K H X S+ 0 0 144 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.939 114.7 51.0 -58.3 -43.0 37.1 46.2 -11.2 60 65 A M H < S+ 0 0 27 -4,-2.3 4,-0.3 -5,-0.3 -1,-0.2 0.943 117.6 35.5 -64.0 -44.4 34.7 48.8 -9.9 61 66 A V H >< S+ 0 0 4 -4,-2.7 3,-0.5 -5,-0.2 -1,-0.2 0.823 118.0 52.9 -81.5 -26.2 36.8 50.0 -7.0 62 67 A E H 3< S+ 0 0 94 -4,-3.0 -2,-0.2 -5,-0.4 -1,-0.2 0.868 110.9 45.6 -75.0 -31.2 40.1 49.6 -8.9 63 68 A N T 3< S+ 0 0 127 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.414 89.0 112.4 -92.5 3.7 38.9 51.7 -11.8 64 69 A A < - 0 0 24 -3,-0.5 3,-0.1 -4,-0.3 -3,-0.0 -0.458 55.2-154.4 -80.3 149.6 37.4 54.5 -9.9 65 70 A K S S+ 0 0 197 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.875 88.2 23.9 -75.6 -46.2 38.8 58.0 -9.8 66 71 A K - 0 0 141 -58,-0.0 24,-3.4 -60,-0.0 2,-0.4 -0.994 65.6-167.0-126.1 129.6 37.2 58.7 -6.4 67 72 A L E -AE 7 89A 15 -60,-0.6 -60,-1.7 -2,-0.4 2,-0.3 -0.914 12.6-177.3-109.6 140.7 36.2 56.2 -3.6 68 73 A E E -AE 6 88A 45 20,-2.4 20,-2.6 -2,-0.4 2,-0.4 -0.988 15.6-145.2-135.0 149.5 34.0 57.4 -0.8 69 74 A V E -AE 5 87A 0 -64,-3.1 -64,-2.7 -2,-0.3 2,-0.4 -0.884 8.8-166.0-113.0 146.8 32.7 55.7 2.3 70 75 A E E -AE 4 86A 9 16,-2.2 16,-2.8 -2,-0.4 -66,-0.2 -0.930 8.1-154.4-132.9 107.0 29.3 56.4 3.9 71 76 A F E - E 0 85A 16 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.443 15.6-132.2 -74.0 151.7 28.5 55.1 7.4 72 77 A D - 0 0 6 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.111 33.6 -90.0 -90.3-166.2 24.9 54.5 8.4 73 78 A K S S+ 0 0 135 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.521 102.3 53.9 -90.8 -5.7 23.2 55.8 11.6 74 79 A G S S- 0 0 20 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.121 107.7 -16.7-102.8-147.7 24.0 52.7 13.8 75 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.327 51.9-156.5 -56.7 138.9 27.1 50.8 14.8 76 81 A R S S+ 0 0 115 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.495 72.9 42.7-101.7 -3.9 30.0 51.6 12.4 77 82 A T B S-F 83 0A 80 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.977 73.2-137.4-134.9 152.7 32.0 48.4 13.0 78 83 A D > - 0 0 34 4,-2.2 3,-2.1 -2,-0.3 -2,-0.1 -0.402 43.3 -84.3 -97.6-174.2 31.1 44.8 13.3 79 84 A K T 3 S+ 0 0 171 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.670 127.1 57.3 -67.2 -14.1 32.4 42.1 15.8 80 85 A Y T 3 S- 0 0 154 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.405 120.7-104.9 -96.3 6.8 35.4 41.4 13.5 81 86 A G S < S+ 0 0 48 -3,-2.1 2,-0.4 1,-0.3 -53,-0.3 0.541 72.8 146.4 85.6 4.4 36.5 45.0 13.5 82 87 A R - 0 0 61 -55,-0.1 -4,-2.2 1,-0.1 -1,-0.3 -0.630 52.9-115.5 -81.6 134.1 35.2 45.6 10.0 83 88 A G E -dF 29 77A 0 -55,-2.7 -53,-3.1 -2,-0.4 2,-0.6 -0.331 24.0-142.4 -54.3 139.6 33.9 49.1 9.0 84 89 A L E +d 30 0A 28 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.934 45.0 129.8-112.2 107.4 30.2 48.9 8.1 85 90 A A E -dE 31 71A 0 -55,-1.7 -53,-2.4 -2,-0.6 2,-0.4 -0.968 61.7-107.7-154.8 163.7 29.5 51.2 5.2 86 91 A Y E - E 0 70A 0 -16,-2.8 -16,-2.2 -2,-0.3 2,-0.4 -0.829 41.0-148.6 -91.8 133.5 28.1 52.0 1.8 87 92 A I E - E 0 69A 4 -2,-0.4 7,-2.4 -18,-0.2 8,-0.7 -0.948 8.8-160.1-109.0 135.4 31.0 52.4 -0.6 88 93 A Y E -GE 93 68A 15 -20,-2.6 -20,-2.4 -2,-0.4 2,-0.5 -0.951 7.1-164.5-118.0 129.9 30.8 54.8 -3.7 89 94 A A E > S-GE 92 67A 0 3,-2.5 3,-2.4 -2,-0.4 -22,-0.2 -0.992 84.2 -26.3-112.6 114.4 33.1 54.6 -6.8 90 95 A D T 3 S- 0 0 63 -24,-3.4 -1,-0.2 -2,-0.5 -23,-0.1 0.870 129.1 -46.5 40.8 51.8 32.9 57.9 -8.6 91 96 A G T 3 S+ 0 0 52 -25,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.377 115.4 113.3 83.6 -11.6 29.4 58.5 -7.2 92 97 A K E < -G 89 0A 100 -3,-2.4 -3,-2.5 4,-0.0 2,-0.5 -0.873 68.7-126.0-101.6 125.5 28.0 55.1 -7.9 93 98 A M E > -G 88 0A 16 -2,-0.6 4,-2.4 -5,-0.2 -5,-0.3 -0.453 12.9-157.1 -70.9 119.4 27.2 52.9 -4.9 94 99 A V H > S+ 0 0 0 -7,-2.4 4,-2.2 -2,-0.5 5,-0.2 0.886 91.5 59.3 -61.6 -36.5 28.9 49.6 -5.2 95 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.918 110.2 41.5 -61.7 -42.3 26.5 48.0 -2.9 96 101 A E H > S+ 0 0 43 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.904 110.5 56.7 -69.3 -42.4 23.6 48.8 -5.2 97 102 A A H X S+ 0 0 17 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.911 106.1 51.0 -55.9 -41.8 25.5 48.0 -8.4 98 103 A L H <>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 6,-0.6 0.919 114.5 43.1 -60.5 -43.1 26.1 44.4 -7.1 99 104 A V H ><5S+ 0 0 0 -4,-1.3 3,-1.7 4,-0.2 -1,-0.2 0.906 109.5 55.8 -71.4 -42.4 22.5 43.9 -6.3 100 105 A R H 3<5S+ 0 0 70 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.856 108.6 51.0 -60.1 -30.1 21.2 45.5 -9.5 101 106 A Q T 3<5S- 0 0 81 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.340 115.6-112.3 -88.4 3.6 23.4 43.0 -11.4 102 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.6 2,-0.2 -3,-0.2 0.835 88.4 115.8 68.8 26.4 22.1 39.9 -9.6 103 108 A L S - 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