==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEASE 15-FEB-97 1NUC . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.WYNN,P.C.HARKINS,F.M.RICHARDS,R.O.FOX . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7381.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 68.9 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 25.2 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 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 99 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 129.0 0.6 36.3 21.4 2 8 A H - 0 0 147 68,-0.2 68,-0.6 69,-0.1 2,-0.2 -0.894 360.0-132.7-114.4 139.8 3.8 38.0 20.2 3 9 A K E -A 69 0A 73 -2,-0.4 66,-0.2 66,-0.2 64,-0.0 -0.647 23.7-169.8 -89.0 150.3 6.1 36.5 17.5 4 10 A E E -A 68 0A 38 64,-2.0 64,-2.9 -2,-0.2 2,-0.1 -0.967 23.9-104.1-138.2 154.1 9.9 36.4 18.1 5 11 A P E +A 67 0A 92 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.432 37.6 171.6 -77.2 152.9 12.9 35.6 16.0 6 12 A A E -A 66 0A 12 60,-1.8 60,-0.7 15,-0.1 2,-0.4 -0.941 25.6-128.6-154.2 162.3 14.8 32.3 16.1 7 13 A T E -B 20 0A 95 13,-1.9 13,-2.7 -2,-0.3 2,-0.1 -0.983 25.9-116.8-123.9 128.4 17.6 30.7 14.1 8 14 A L E +B 19 0A 43 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.376 34.5 168.9 -63.6 130.4 17.4 27.2 12.6 9 15 A I E - 0 0 73 9,-2.8 2,-0.3 1,-0.2 10,-0.2 0.726 67.6 -29.5-103.8 -52.0 20.0 24.8 14.0 10 16 A K E -B 18 0A 117 8,-1.9 8,-3.1 50,-0.0 2,-0.3 -0.924 49.9-125.9-170.7 132.9 18.6 21.6 12.7 11 17 A A E -B 17 0A 11 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.676 24.1-176.8 -79.7 134.5 15.3 19.9 11.7 12 18 A I E - 0 0 62 4,-2.0 2,-0.3 1,-0.4 5,-0.2 0.832 57.4 -41.2 -99.8 -49.9 14.9 16.6 13.6 13 19 A D E > S-B 16 0A 13 3,-2.2 3,-0.7 39,-0.1 -1,-0.4 -0.881 83.2 -52.8-159.7-165.2 11.7 15.3 12.2 14 20 A G T 3 S+ 0 0 0 22,-0.3 83,-0.1 -2,-0.3 23,-0.1 0.786 131.0 16.7 -52.7 -39.7 8.2 16.4 11.3 15 21 A D T 3 S+ 0 0 9 21,-0.1 15,-2.5 20,-0.1 2,-0.4 0.270 116.8 66.0-122.3 12.8 7.2 18.1 14.5 16 22 A T E < +BC 13 29A 15 -3,-0.7 -3,-2.2 13,-0.2 -4,-2.0 -0.996 50.5 156.3-137.8 138.9 10.5 18.7 16.3 17 23 A C E -BC 11 28A 3 11,-1.9 11,-3.5 -2,-0.4 2,-0.5 -0.951 37.3-115.1-152.2 166.8 13.5 20.9 15.4 18 24 A K E +BC 10 27A 53 -8,-3.1 -9,-2.8 -2,-0.3 -8,-1.9 -0.947 36.6 175.5-112.4 129.0 16.4 22.6 17.2 19 25 A L E -BC 8 26A 0 7,-3.0 7,-2.8 -2,-0.5 2,-0.7 -0.906 35.3-122.2-131.2 157.1 16.6 26.4 17.2 20 26 A M E +BC 7 25A 74 -13,-2.7 -13,-1.9 -2,-0.3 2,-0.4 -0.906 39.5 178.3 -96.7 116.1 18.8 29.1 18.7 21 27 A Y E > - C 0 24A 35 3,-2.7 3,-1.7 -2,-0.7 -15,-0.1 -0.994 65.6 -11.2-126.6 124.4 16.3 31.2 20.7 22 28 A K T 3 S- 0 0 117 -2,-0.4 -1,-0.2 -17,-0.4 -16,-0.1 0.924 131.6 -53.9 54.8 41.9 17.5 34.2 22.8 23 29 A G T 3 S+ 0 0 68 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.652 119.4 107.9 69.0 16.6 21.0 33.1 22.2 24 30 A Q E < -C 21 0A 130 -3,-1.7 -3,-2.7 2,-0.0 2,-0.2 -0.983 69.3-124.5-133.2 127.8 20.4 29.6 23.5 25 31 A P E +C 20 0A 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.469 42.5 163.0 -66.7 132.4 20.1 26.3 21.6 26 32 A M E -C 19 0A 37 -7,-2.8 -7,-3.0 -2,-0.2 2,-0.4 -0.996 39.0-122.2-149.1 151.1 16.8 24.5 22.3 27 33 A T E -C 18 0A 45 -2,-0.3 55,-2.6 -9,-0.3 2,-0.4 -0.808 30.8-157.5 -97.3 133.2 14.7 21.8 20.8 28 34 A F E -Cd 17 82A 0 -11,-3.5 -11,-1.9 -2,-0.4 2,-0.4 -0.883 7.7-157.5-110.4 147.1 11.2 22.9 19.9 29 35 A R E -Cd 16 83A 17 53,-2.7 55,-1.3 -2,-0.4 -13,-0.2 -0.992 30.0-112.5-123.9 128.3 8.1 20.7 19.6 30 36 A L E > - d 0 84A 5 -15,-2.5 3,-0.8 -2,-0.4 55,-0.2 -0.448 33.2-119.8 -65.6 130.7 5.2 22.1 17.4 31 37 A L T 3 S+ 0 0 10 53,-2.6 55,-0.1 1,-0.2 77,-0.1 -0.378 83.7 7.0 -71.2 150.7 2.1 22.9 19.4 32 38 A L T 3 S+ 0 0 2 75,-0.5 74,-1.8 80,-0.2 2,-0.3 0.426 110.6 85.7 60.3 9.7 -1.3 21.2 18.7 33 39 A V E < -H 105 0B 0 -3,-0.8 2,-0.3 72,-0.3 72,-0.2 -0.879 53.3-157.5-138.6 166.4 -0.0 18.7 16.2 34 40 A D E -H 104 0B 27 70,-1.6 70,-1.6 -2,-0.3 3,-0.1 -0.926 7.8-165.2-145.3 112.3 1.5 15.3 15.8 35 41 A T - 0 0 2 -2,-0.3 68,-0.2 68,-0.2 -20,-0.1 -0.678 44.3 -83.0 -90.0 154.6 3.5 14.1 12.8 36 42 A P - 0 0 5 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.265 50.1-103.0 -61.2 146.0 4.1 10.3 12.5 37 43 A E + 0 0 34 1,-0.1 9,-2.7 -24,-0.1 12,-0.2 -0.314 43.2 160.8 -69.1 145.5 7.0 8.7 14.4 38 44 A T S S+ 0 0 27 7,-0.3 7,-0.2 11,-0.1 -1,-0.1 0.329 76.6 44.5-139.0 -11.9 10.3 7.8 12.7 39 45 A K S S+ 0 0 122 5,-0.2 6,-0.1 1,-0.1 -2,-0.0 0.889 85.1 77.6-100.6 -75.4 12.4 7.6 15.9 40 46 A H >> - 0 0 86 1,-0.1 4,-3.2 4,-0.1 3,-1.8 -0.215 61.0-150.1 -51.3 119.5 10.9 5.8 18.9 41 47 A P T 34 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.734 92.5 72.2 -61.1 -28.9 11.0 2.0 18.6 42 48 A K T 34 S+ 0 0 177 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.680 118.9 19.0 -61.2 -18.8 7.8 1.6 20.7 43 49 A K T <4 S- 0 0 99 -3,-1.8 -1,-0.2 1,-0.1 2,-0.2 0.680 98.4-157.6-116.8 -45.4 6.1 3.0 17.6 44 50 A G < - 0 0 26 -4,-3.2 2,-1.1 2,-0.1 -5,-0.2 -0.467 51.6 -30.0 91.4-170.3 8.5 2.4 14.8 45 51 A V S S- 0 0 100 -7,-0.2 -7,-0.3 -2,-0.2 2,-0.2 -0.766 72.6-153.6 -85.2 101.8 8.6 4.3 11.5 46 52 A E > - 0 0 71 -9,-2.7 3,-2.4 -2,-1.1 -2,-0.1 -0.502 30.5 -84.9 -76.1 147.6 4.9 5.1 11.0 47 53 A K T 3 S+ 0 0 140 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.1 -0.259 117.1 16.6 -53.9 131.5 3.5 5.7 7.5 48 54 A Y T 3> S+ 0 0 40 -3,-0.1 4,-2.7 -13,-0.1 -1,-0.3 0.324 92.4 113.7 83.1 -4.0 4.1 9.3 6.3 49 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.4 -12,-0.2 -35,-0.3 0.978 78.4 44.5 -59.9 -56.5 6.7 9.9 9.0 50 56 A P H > S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.854 114.5 51.5 -56.0 -38.0 9.6 10.3 6.5 51 57 A E H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.923 108.4 49.6 -65.3 -45.9 7.4 12.5 4.4 52 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.885 111.2 50.3 -62.5 -39.3 6.4 14.7 7.3 53 59 A S H X S+ 0 0 22 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.937 110.5 49.1 -64.4 -44.2 10.1 15.1 8.2 54 60 A A H X S+ 0 0 42 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.903 110.6 50.7 -62.2 -41.0 11.0 16.0 4.7 55 61 A F H X S+ 0 0 59 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.968 114.6 42.5 -61.4 -53.1 8.3 18.6 4.4 56 62 A T H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.931 114.3 51.2 -59.1 -46.8 9.3 20.3 7.7 57 63 A K H X S+ 0 0 94 -4,-2.9 4,-2.7 -5,-0.2 5,-0.3 0.955 112.9 45.5 -56.2 -52.2 13.0 20.1 6.9 58 64 A K H X S+ 0 0 110 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.944 113.2 51.1 -56.4 -50.5 12.4 21.7 3.5 59 65 A M H < S+ 0 0 41 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.893 116.6 36.9 -57.4 -47.5 10.2 24.4 4.9 60 66 A V H >< S+ 0 0 3 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.867 115.1 53.5 -78.8 -32.5 12.5 25.6 7.6 61 67 A E H 3< S+ 0 0 89 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.839 109.5 47.8 -71.9 -31.7 15.7 25.2 5.8 62 68 A N T 3< S+ 0 0 126 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.434 88.6 112.8 -88.1 -0.1 14.6 27.3 2.8 63 69 A A < - 0 0 24 -3,-0.7 3,-0.1 -4,-0.3 -3,-0.0 -0.435 59.2-150.2 -79.4 146.0 13.2 30.2 4.8 64 70 A K S S+ 0 0 167 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.895 87.7 15.0 -74.1 -43.1 14.7 33.7 4.9 65 71 A K - 0 0 132 -3,-0.1 24,-2.9 -58,-0.0 2,-0.4 -0.991 61.8-157.6-143.3 143.1 13.4 34.0 8.5 66 72 A I E -AE 6 88A 15 -60,-0.7 -60,-1.8 -2,-0.4 2,-0.3 -0.901 12.7-175.9-115.2 137.5 12.0 31.9 11.3 67 73 A E E -AE 5 87A 55 20,-2.0 20,-2.9 -2,-0.4 2,-0.4 -0.963 12.4-149.8-131.0 147.6 9.8 33.1 14.2 68 74 A V E -AE 4 86A 0 -64,-2.9 -64,-2.0 -2,-0.3 2,-0.5 -0.947 7.5-166.1-118.1 141.0 8.5 31.3 17.2 69 75 A E E -AE 3 85A 12 16,-2.1 16,-2.4 -2,-0.4 -66,-0.2 -0.980 8.7-153.9-130.4 112.4 5.2 32.2 18.9 70 76 A F E - E 0 84A 13 -68,-0.6 -68,-0.2 -2,-0.5 14,-0.2 -0.503 15.6-128.1 -80.5 157.9 4.5 30.8 22.3 71 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.079 34.3 -91.6 -88.8-161.1 0.9 30.4 23.4 72 78 A K S S+ 0 0 139 39,-0.5 40,-0.2 -71,-0.1 3,-0.1 0.577 103.3 61.7 -92.6 -8.8 -0.5 31.7 26.7 73 79 A G S S- 0 0 17 1,-0.3 37,-0.1 36,-0.1 -2,-0.0 0.116 107.0 -26.3 -93.5-148.1 0.2 28.7 28.9 74 80 A Q - 0 0 134 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.301 50.9-145.7 -65.4 148.4 3.5 27.0 29.8 75 81 A R S S+ 0 0 148 -3,-0.1 8,-2.8 -5,-0.1 2,-0.3 0.487 76.0 38.3 -96.4 -6.6 6.3 27.4 27.3 76 82 A T B S-F 82 0A 65 6,-0.3 6,-0.2 -48,-0.1 2,-0.2 -0.938 72.9-131.1-138.9 158.8 8.1 24.1 27.6 77 83 A D > - 0 0 24 4,-1.5 3,-2.7 -2,-0.3 -2,-0.0 -0.478 45.2 -82.9 -99.6-179.0 6.9 20.5 28.1 78 84 A K T 3 S+ 0 0 183 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.709 129.8 55.8 -57.7 -23.9 8.1 17.9 30.6 79 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.343 119.6-110.6 -88.9 1.2 11.0 17.0 28.3 80 86 A G < + 0 0 43 -3,-2.7 2,-0.3 1,-0.3 -53,-0.2 0.622 68.0 147.1 80.3 12.4 12.1 20.6 28.3 81 87 A R - 0 0 63 -55,-0.1 -4,-1.5 1,-0.1 -53,-0.3 -0.619 55.1-110.4 -82.7 138.9 11.2 21.3 24.7 82 88 A G E -dF 28 76A 0 -55,-2.6 -53,-2.7 -2,-0.3 2,-0.6 -0.470 29.1-143.6 -66.3 136.9 10.0 24.8 23.8 83 89 A L E +d 29 0A 22 -8,-2.8 -12,-0.5 -55,-0.2 2,-0.3 -0.925 42.5 126.2-107.3 111.6 6.3 24.6 22.9 84 90 A A E -dE 30 70A 0 -55,-1.3 -53,-2.6 -2,-0.6 2,-0.5 -0.915 63.1-103.1-154.9 175.0 5.3 27.0 20.1 85 91 A Y E - E 0 69A 0 -16,-2.4 -16,-2.1 -2,-0.3 2,-0.4 -0.941 44.8-149.7-101.6 122.9 3.8 27.8 16.7 86 92 A I E - E 0 68A 2 -2,-0.5 7,-3.0 -18,-0.2 8,-0.5 -0.887 8.6-159.1-104.5 136.1 6.7 28.1 14.3 87 93 A Y E -GE 92 67A 18 -20,-2.9 -20,-2.0 -2,-0.4 2,-0.6 -0.942 8.4-164.5-116.9 133.0 6.6 30.4 11.3 88 94 A A E > S-GE 91 66A 5 3,-2.8 3,-1.6 -2,-0.4 -22,-0.2 -0.969 85.9 -22.3-116.3 108.0 8.8 30.1 8.2 89 95 A D T 3 S- 0 0 48 -24,-2.9 -1,-0.2 -2,-0.6 -23,-0.1 0.922 129.1 -49.9 55.7 47.0 8.6 33.4 6.3 90 96 A G T 3 S+ 0 0 50 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.467 114.9 115.9 76.0 0.0 5.2 34.1 7.9 91 97 A K E < -G 88 0A 131 -3,-1.6 -3,-2.8 4,-0.0 2,-0.4 -0.921 68.5-124.0-105.2 124.5 3.7 30.8 7.1 92 98 A M E > -G 87 0A 17 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.514 13.2-158.1 -69.6 118.8 2.9 28.6 10.1 93 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.3 -2,-0.4 5,-0.2 0.904 91.3 58.1 -63.1 -40.3 4.6 25.2 9.9 94 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.942 111.8 40.4 -55.6 -49.4 2.1 23.6 12.2 95 101 A E H > S+ 0 0 44 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.886 110.4 58.9 -67.8 -39.8 -0.9 24.5 9.9 96 102 A A H X S+ 0 0 16 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.925 107.7 46.3 -55.5 -47.0 1.1 23.7 6.8 97 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 6,-0.6 0.914 113.4 47.6 -63.4 -45.7 1.6 20.1 7.9 98 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.2 5,-0.2 0.927 108.5 55.8 -63.3 -40.4 -2.0 19.6 9.0 99 105 A R H 3<5S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.783 107.9 49.6 -63.1 -27.1 -3.2 21.1 5.6 100 106 A Q T 3<5S- 0 0 79 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.323 115.6-112.7 -92.4 2.7 -1.1 18.5 3.8 101 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.5 -4,-0.2 -3,-0.2 0.851 87.6 117.7 67.7 30.8 -2.5 15.6 5.7 102 108 A L S - 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