==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-00 1EY9 . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.CHEN,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) . 7574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 67.4 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 . 4 3.0 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 . 12 8.9 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 1 1 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 1 1 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 7 A L 0 0 94 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 147.0 25.9 62.1 6.8 2 8 A H - 0 0 156 68,-0.4 68,-0.5 69,-0.1 2,-0.3 -0.973 360.0-133.6-125.4 137.5 29.2 63.5 5.5 3 9 A K - 0 0 96 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.678 23.6-168.5 -85.1 143.2 31.5 62.2 2.8 4 10 A E E -A 68 0A 54 64,-2.4 64,-2.6 -2,-0.3 2,-0.1 -0.974 24.1-108.2-127.0 143.6 35.2 62.1 3.7 5 11 A P E +A 67 0A 107 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.391 39.5 171.1 -72.5 148.6 38.2 61.5 1.3 6 12 A A E -A 66 0A 12 60,-2.0 60,-0.7 15,-0.1 2,-0.4 -0.919 25.8-129.5-142.7 169.6 40.1 58.2 1.5 7 13 A T E -B 20 0A 96 13,-1.7 13,-2.6 -2,-0.3 2,-0.1 -0.992 27.1-113.9-124.5 133.6 42.7 56.6 -0.7 8 14 A L E +B 19 0A 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.385 36.8 166.3 -60.8 135.9 42.6 53.1 -2.0 9 15 A I E - 0 0 73 9,-2.5 2,-0.3 1,-0.3 10,-0.2 0.651 67.4 -25.5-107.9 -52.7 45.2 50.7 -0.6 10 16 A K E -B 18 0A 125 8,-1.8 8,-2.8 50,-0.0 2,-0.4 -0.952 50.2-128.8-160.9 134.9 43.8 47.4 -1.7 11 17 A A E +B 17 0A 21 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.711 27.0 179.2 -84.2 140.1 40.5 45.8 -2.7 12 18 A I - 0 0 55 4,-2.0 2,-0.3 1,-0.5 5,-0.2 0.790 55.4 -23.5-112.3 -30.0 40.0 42.6 -0.7 13 19 A D S S- 0 0 5 3,-1.6 -1,-0.5 40,-0.1 3,-0.4 -0.926 78.3 -77.3-170.9 169.8 36.7 41.1 -1.7 14 20 A G S S+ 0 0 0 -2,-0.3 83,-0.1 1,-0.2 3,-0.1 0.769 132.1 28.9 -55.0 -27.2 33.3 42.1 -3.1 15 21 A D S S+ 0 0 1 1,-0.1 15,-3.0 14,-0.0 2,-0.4 0.482 113.0 65.2-118.3 -2.5 32.4 43.5 0.3 16 22 A T E + C 0 29A 11 -3,-0.4 -4,-2.0 13,-0.2 -3,-1.6 -0.990 51.0 174.4-131.9 132.2 35.7 44.6 1.9 17 23 A V E -BC 11 28A 1 11,-2.2 11,-3.3 -2,-0.4 2,-0.5 -0.995 24.7-135.6-137.8 137.9 38.2 47.2 1.0 18 24 A K E +BC 10 27A 69 -8,-2.8 -9,-2.5 -2,-0.3 -8,-1.8 -0.816 33.3 175.7 -96.3 125.5 41.3 48.5 2.6 19 25 A L E -BC 8 26A 0 7,-3.2 7,-2.4 -2,-0.5 2,-0.7 -0.932 37.8-121.7-131.9 152.4 41.6 52.3 2.6 20 26 A M E +BC 7 25A 62 -13,-2.6 -13,-1.7 -2,-0.3 2,-0.5 -0.870 40.8 179.1 -89.8 113.1 43.9 55.0 4.0 21 27 A Y E > - C 0 24A 20 3,-2.6 3,-2.1 -2,-0.7 -15,-0.1 -0.987 62.9 -17.7-124.8 119.3 41.5 57.1 6.1 22 28 A K T 3 S- 0 0 153 -17,-0.5 -1,-0.2 -2,-0.5 -16,-0.1 0.890 130.4 -47.0 49.5 49.2 42.7 60.2 8.0 23 29 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.3 -3,-0.1 -17,-0.0 0.212 122.2 89.9 81.8 -13.2 46.3 59.1 7.7 24 30 A Q E < S-C 21 0A 82 -3,-2.1 -3,-2.6 2,-0.0 -1,-0.1 -0.923 77.1-111.8-126.5 147.7 45.9 55.5 8.8 25 31 A P E +C 20 0A 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.365 42.9 170.7 -60.2 139.3 45.2 52.2 7.0 26 32 A M E -C 19 0A 40 -7,-2.4 -7,-3.2 -2,-0.1 2,-0.4 -0.978 31.3-127.4-155.1 141.2 41.8 50.8 7.8 27 33 A T E -C 18 0A 38 -2,-0.3 55,-2.5 53,-0.3 2,-0.4 -0.768 26.2-156.2 -91.5 133.7 39.6 47.9 6.6 28 34 A F E -Cd 17 82A 0 -11,-3.3 -11,-2.2 -2,-0.4 2,-0.5 -0.963 10.1-156.4-119.1 132.1 36.1 48.8 5.5 29 35 A R E -Cd 16 83A 35 53,-2.7 55,-1.8 -2,-0.4 2,-0.4 -0.856 32.8-117.3 -92.9 124.9 33.0 46.5 5.3 30 36 A L E > - d 0 84A 2 -15,-3.0 3,-0.9 -2,-0.5 55,-0.2 -0.585 33.4-118.7 -68.7 128.5 30.4 47.8 2.9 31 37 A L T 3 S+ 0 0 7 53,-2.2 55,-0.1 -2,-0.4 3,-0.1 -0.315 82.8 4.3 -65.7 141.7 27.2 48.7 4.7 32 38 A L T 3 S+ 0 0 11 75,-0.2 74,-1.5 1,-0.2 2,-0.4 0.559 99.1 111.4 70.7 16.7 23.9 46.9 3.9 33 39 A V E < -H 105 0B 0 -3,-0.9 2,-0.4 72,-0.3 72,-0.2 -0.972 45.3-165.2-122.5 143.4 25.2 44.5 1.3 34 40 A D E -H 104 0B 67 70,-2.2 70,-2.7 -2,-0.4 -3,-0.0 -0.987 17.6-167.7-124.8 118.9 25.5 40.7 1.5 35 41 A I - 0 0 11 -2,-0.4 2,-2.0 68,-0.2 68,-0.1 -0.504 39.6-103.1 -97.1 152.3 27.7 39.0 -1.2 36 42 A P - 0 0 6 0, 0.0 13,-0.2 0, 0.0 16,-0.1 -0.450 63.1-136.2 -76.1 60.4 28.2 35.5 -2.4 37 43 A E - 0 0 69 -2,-2.0 9,-0.8 1,-0.1 12,-0.2 0.414 29.5-164.4 -18.6 140.3 31.5 35.7 -0.4 38 44 A T S S+ 0 0 32 11,-0.2 2,-0.9 7,-0.2 5,-0.1 0.615 80.6 73.4-103.8 -26.2 34.8 34.4 -1.7 39 45 A K + 0 0 119 6,-0.1 -1,-0.1 10,-0.1 -2,-0.1 -0.817 66.8 147.4 -92.1 101.2 36.4 34.4 1.7 40 46 A H > - 0 0 75 -2,-0.9 3,-0.5 -3,-0.1 5,-0.0 -1.000 57.8-119.3-140.9 137.8 34.8 31.5 3.6 41 47 A P T 3 S- 0 0 124 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.757 102.2 -10.5 -41.0 -38.8 36.1 29.1 6.3 42 48 A K T 3 S+ 0 0 178 -3,-0.0 2,-0.1 0, 0.0 -3,-0.1 -0.502 97.5 103.3-171.2 91.8 35.6 26.1 3.9 43 49 A K S < S- 0 0 144 -3,-0.5 -5,-0.1 -5,-0.1 -4,-0.0 -0.138 70.1-100.0-137.8-126.4 33.7 26.3 0.6 44 50 A G S S- 0 0 65 -2,-0.1 -6,-0.1 -6,-0.0 0, 0.0 0.214 76.1 -69.4-160.9 14.5 34.6 26.4 -3.1 45 51 A V - 0 0 84 -7,-0.1 3,-0.2 -8,-0.1 -7,-0.2 0.961 66.8-105.9 80.5 80.1 34.2 30.1 -3.9 46 52 A E > - 0 0 66 -9,-0.8 3,-2.1 1,-0.2 2,-0.3 0.296 41.9 -82.7 -32.8 143.3 30.5 31.0 -3.8 47 53 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 -0.437 116.6 4.6 -65.2 118.0 28.5 31.5 -6.9 48 54 A Y T 3> S+ 0 0 67 -2,-0.3 4,-3.0 -3,-0.2 -1,-0.3 0.170 98.0 113.2 87.7 -5.7 28.9 35.1 -8.1 49 55 A G H <> S+ 0 0 0 -3,-2.1 4,-3.0 -12,-0.2 5,-0.3 0.956 77.2 47.8 -56.3 -49.9 31.6 35.8 -5.4 50 56 A P H > S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.922 113.6 47.7 -59.2 -39.3 34.3 36.1 -8.0 51 57 A E H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 112.4 49.1 -68.9 -39.8 32.2 38.5 -10.1 52 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.930 112.0 48.6 -63.2 -45.6 31.2 40.6 -7.1 53 59 A S H X S+ 0 0 33 -4,-3.0 4,-2.2 -5,-0.3 -1,-0.2 0.923 112.5 48.3 -62.4 -36.9 34.8 40.8 -6.0 54 60 A A H X S+ 0 0 38 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.913 109.9 52.8 -70.7 -35.8 35.9 41.8 -9.5 55 61 A F H X S+ 0 0 52 -4,-2.4 4,-2.2 -5,-0.2 5,-0.2 0.969 111.4 44.4 -61.0 -51.4 33.2 44.4 -9.8 56 62 A T H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.957 113.1 53.2 -58.7 -44.8 34.2 46.1 -6.5 57 63 A K H X S+ 0 0 75 -4,-2.2 4,-3.0 -5,-0.3 5,-0.3 0.948 110.1 45.3 -53.6 -52.5 37.8 46.0 -7.5 58 64 A K H X S+ 0 0 92 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.903 111.3 54.2 -63.9 -39.4 37.4 47.6 -10.9 59 65 A M H X S+ 0 0 35 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.2 0.926 117.5 33.9 -63.6 -40.4 35.1 50.3 -9.4 60 66 A V H < S+ 0 0 4 -4,-2.4 3,-0.3 -5,-0.2 -2,-0.2 0.886 116.9 53.4 -85.8 -32.6 37.6 51.4 -6.8 61 67 A E H < S+ 0 0 88 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.840 112.8 45.2 -63.9 -35.1 40.8 50.8 -8.8 62 68 A N H < S+ 0 0 132 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.634 91.6 104.0 -87.2 -12.9 39.5 52.9 -11.6 63 69 A A < - 0 0 21 -4,-0.6 3,-0.1 -3,-0.3 -3,-0.0 -0.373 54.2-159.3 -74.9 149.5 38.2 55.8 -9.5 64 70 A K S S+ 0 0 183 1,-0.2 2,-0.4 -2,-0.0 -1,-0.1 0.726 85.6 36.3 -88.6 -28.5 40.1 59.1 -9.3 65 71 A K - 0 0 139 -58,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.989 65.2-171.4-129.4 122.4 38.3 60.0 -6.0 66 72 A I E -AE 6 88A 12 -60,-0.7 -60,-2.0 -2,-0.4 2,-0.3 -0.950 10.2-176.3-110.7 136.0 37.2 57.6 -3.2 67 73 A E E -AE 5 87A 54 20,-2.2 20,-2.9 -2,-0.4 2,-0.4 -0.965 13.5-148.4-130.3 152.5 35.0 58.9 -0.4 68 74 A V E -AE 4 86A 0 -64,-2.6 -64,-2.4 -2,-0.3 2,-0.4 -0.912 7.4-166.7-116.4 140.5 33.8 57.2 2.8 69 75 A E E - E 0 85A 9 16,-2.2 16,-2.7 -2,-0.4 -66,-0.2 -0.926 7.2-156.5-131.3 104.7 30.4 57.9 4.4 70 76 A F E - E 0 84A 26 -68,-0.5 -68,-0.4 -2,-0.4 14,-0.2 -0.488 16.4-134.4 -74.2 153.5 29.8 56.6 7.9 71 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.269 28.0 -97.4 -95.2-170.9 26.1 56.2 9.0 72 78 A K S S+ 0 0 113 39,-0.4 40,-0.1 -2,-0.1 3,-0.1 0.464 99.2 68.2 -95.9 -3.1 24.6 57.3 12.3 73 79 A G S S- 0 0 15 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.028 106.1 -30.0 -90.4-155.9 24.8 53.9 14.0 74 80 A Q - 0 0 98 36,-1.4 -1,-0.3 35,-0.1 -3,-0.2 -0.374 53.3-154.1 -63.0 139.1 27.8 51.9 15.2 75 81 A R + 0 0 116 -3,-0.1 8,-2.6 -5,-0.1 2,-0.3 0.487 68.6 38.3-102.6 -3.6 30.9 52.6 13.0 76 82 A T B -F 82 0A 76 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.978 70.0-134.7-139.1 154.8 32.9 49.4 13.4 77 83 A D > - 0 0 21 4,-2.1 3,-1.9 -2,-0.3 -2,-0.0 -0.385 44.9 -86.3 -98.0-173.2 32.0 45.7 13.7 78 84 A K T 3 S+ 0 0 165 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.694 127.7 57.3 -73.1 -12.4 33.5 43.2 16.1 79 85 A Y T 3 S- 0 0 179 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.344 119.9-106.4 -93.2 5.1 36.4 42.6 13.8 80 86 A G S < S+ 0 0 49 -3,-1.9 2,-0.3 1,-0.3 -53,-0.3 0.545 70.8 145.0 83.8 9.4 37.4 46.3 13.8 81 87 A R - 0 0 61 -55,-0.1 -4,-2.1 -53,-0.1 -1,-0.3 -0.659 52.8-118.7 -81.5 137.5 36.2 46.9 10.2 82 88 A G E -dF 28 76A 0 -55,-2.5 -53,-2.7 -2,-0.3 2,-0.7 -0.485 22.4-138.7 -70.4 139.7 34.7 50.4 9.6 83 89 A L E +d 29 0A 11 -8,-2.6 -12,-0.6 -55,-0.2 2,-0.3 -0.885 46.6 131.4-106.6 112.8 31.1 50.2 8.5 84 90 A A E -dE 30 70A 0 -55,-1.8 -53,-2.2 -2,-0.7 2,-0.4 -0.971 60.2-104.6-154.8 166.1 30.4 52.6 5.7 85 91 A Y E - 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