==== 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 1EYA . 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) . 7528.0 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 . 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 . 10 7.4 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 . 27 20.0 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 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 7 A L 0 0 89 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 159.5 25.8 62.1 6.8 2 8 A H - 0 0 158 68,-0.3 68,-0.6 69,-0.1 2,-0.4 -0.975 360.0-136.7-127.5 135.2 29.2 63.3 5.7 3 9 A K E -A 69 0A 98 -2,-0.4 66,-0.2 66,-0.2 64,-0.0 -0.725 21.1-166.1 -88.3 135.5 31.5 62.1 3.0 4 10 A E E -A 68 0A 43 64,-2.5 64,-3.3 -2,-0.4 2,-0.1 -0.964 22.9-111.9-123.0 139.7 35.2 61.9 3.8 5 11 A P E +A 67 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.415 40.7 168.5 -67.8 145.8 38.1 61.4 1.4 6 12 A A E -A 66 0A 13 60,-2.0 60,-0.7 15,-0.1 2,-0.4 -0.890 26.6-128.7-144.6 173.1 40.0 58.2 1.5 7 13 A T E -B 20 0A 96 13,-1.6 13,-2.0 -2,-0.3 58,-0.0 -0.994 26.4-112.8-128.5 128.3 42.6 56.5 -0.7 8 14 A L E +B 19 0A 47 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.290 37.6 164.4 -53.5 134.7 42.5 52.9 -2.0 9 15 A I E - 0 0 71 9,-2.3 2,-0.3 1,-0.3 10,-0.2 0.612 68.1 -27.7-109.6 -51.2 45.1 50.6 -0.6 10 16 A K E -B 18 0A 112 8,-2.2 8,-3.9 50,-0.0 2,-0.4 -0.951 48.6-129.5-166.1 141.5 43.7 47.3 -1.6 11 17 A A E -B 17 0A 21 -2,-0.3 6,-0.2 6,-0.3 3,-0.1 -0.823 22.6-178.8 -92.2 132.2 40.3 45.7 -2.5 12 18 A I - 0 0 40 4,-2.5 2,-0.3 -2,-0.4 5,-0.2 0.823 59.3 -27.2 -99.2 -32.6 39.9 42.4 -0.5 13 19 A D S S- 0 0 5 3,-1.8 -1,-0.3 40,-0.1 3,-0.2 -0.876 77.7 -73.2-167.2 176.6 36.6 41.1 -1.7 14 20 A G S S+ 0 0 0 -2,-0.3 83,-0.1 35,-0.2 3,-0.1 0.802 132.5 30.1 -60.0 -31.9 33.3 42.2 -3.1 15 21 A D S S+ 0 0 6 1,-0.1 15,-3.0 14,-0.1 2,-0.4 0.391 114.5 62.9-115.9 4.3 32.3 43.5 0.4 16 22 A T E + C 0 29A 11 -3,-0.2 -4,-2.5 13,-0.2 -3,-1.8 -0.986 50.8 172.6-138.9 129.0 35.6 44.5 1.9 17 23 A V E -BC 11 28A 2 11,-2.0 11,-3.3 -2,-0.4 2,-0.5 -0.978 26.0-133.5-132.4 146.3 38.1 47.2 0.9 18 24 A K E +BC 10 27A 73 -8,-3.9 -9,-2.3 -2,-0.3 -8,-2.2 -0.889 35.3 172.7-102.7 120.1 41.3 48.4 2.6 19 25 A L E -BC 8 26A 0 7,-3.6 7,-2.2 -2,-0.5 2,-0.7 -0.877 39.2-120.5-129.2 158.4 41.6 52.2 2.7 20 26 A M E +BC 7 25A 74 -13,-2.0 -13,-1.6 -2,-0.3 2,-0.4 -0.936 40.4 176.1 -97.9 112.0 43.7 55.0 4.1 21 27 A Y E > - C 0 24A 21 3,-2.2 3,-2.1 -2,-0.7 -15,-0.1 -0.987 65.2 -11.1-124.6 123.0 41.3 57.1 6.2 22 28 A K T 3 S- 0 0 159 -17,-0.5 -1,-0.1 -2,-0.4 -16,-0.1 0.851 131.2 -53.3 51.2 39.2 42.4 60.1 8.2 23 29 A G T 3 S+ 0 0 67 1,-0.1 -1,-0.3 -3,-0.0 -17,-0.0 0.220 119.5 89.1 86.1 -11.4 46.0 59.0 7.7 24 30 A Q E < S-C 21 0A 81 -3,-2.1 -3,-2.2 1,-0.0 -1,-0.1 -0.920 78.8-103.7-124.2 153.2 45.9 55.4 8.9 25 31 A P E +C 20 0A 80 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.322 45.9 168.5 -64.9 149.0 45.2 52.1 7.1 26 32 A M E -C 19 0A 36 -7,-2.2 -7,-3.6 2,-0.0 2,-0.5 -0.957 32.2-127.5-164.3 146.1 41.8 50.6 7.8 27 33 A V E -C 18 0A 42 -2,-0.3 55,-2.8 53,-0.3 2,-0.4 -0.864 24.9-158.8 -99.1 126.3 39.5 47.9 6.5 28 34 A F E -Cd 17 82A 0 -11,-3.3 -11,-2.0 -2,-0.5 2,-0.5 -0.873 7.8-152.5-108.6 140.0 36.0 48.8 5.5 29 35 A R E -Cd 16 83A 48 53,-3.2 55,-1.5 -2,-0.4 2,-0.4 -0.929 31.5-113.9-104.3 123.9 33.0 46.4 5.3 30 36 A L E > - d 0 84A 1 -15,-3.0 3,-1.0 -2,-0.5 55,-0.2 -0.432 35.6-123.8 -60.3 119.9 30.4 47.6 2.8 31 37 A L T 3 S+ 0 0 8 53,-2.2 55,-0.1 -2,-0.4 3,-0.1 -0.350 79.9 4.6 -64.1 144.8 27.2 48.5 4.8 32 38 A L T 3 S+ 0 0 9 75,-0.2 74,-1.4 1,-0.1 2,-0.4 0.531 98.8 114.1 60.0 20.5 23.8 46.8 4.0 33 39 A V E < -H 105 0B 1 -3,-1.0 2,-0.5 72,-0.2 72,-0.2 -0.974 48.1-160.7-123.0 144.9 25.0 44.4 1.4 34 40 A D E -H 104 0B 74 70,-2.1 70,-2.9 -2,-0.4 -3,-0.0 -0.995 23.1-177.9-118.7 109.7 25.2 40.6 1.4 35 41 A I - 0 0 5 -2,-0.5 2,-1.6 68,-0.2 68,-0.1 -0.625 41.2 -92.6-111.4 160.3 27.6 39.1 -1.1 36 42 A P - 0 0 6 0, 0.0 10,-0.4 0, 0.0 17,-0.2 -0.626 58.2-122.7 -77.4 85.2 28.7 35.7 -2.3 37 43 A E + 0 0 47 -2,-1.6 12,-0.2 1,-0.1 3,-0.1 0.138 38.8 172.3 -30.1 126.7 31.7 35.4 0.1 38 44 A T + 0 0 33 7,-0.2 2,-1.4 1,-0.2 7,-0.3 0.704 68.0 66.4-110.9 -36.0 35.1 34.8 -1.5 39 45 A K S S+ 0 0 140 6,-0.0 -1,-0.2 4,-0.0 -2,-0.1 -0.677 79.6 122.4 -88.1 84.8 37.5 35.2 1.5 40 46 A H - 0 0 94 -2,-1.4 3,-0.3 1,-0.3 5,-0.2 -0.923 61.0-114.7-141.4 161.9 36.4 32.1 3.4 41 47 A P S > S- 0 0 109 0, 0.0 2,-2.4 0, 0.0 3,-0.6 0.602 93.9 -9.3 -67.2-130.1 37.7 28.9 4.9 42 48 A K T 3 S+ 0 0 194 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.456 103.6 105.9 -72.4 82.0 36.5 25.6 3.5 43 49 A K T 3 S- 0 0 91 -2,-2.4 -1,-0.2 -3,-0.3 -4,-0.0 0.401 77.3-132.8-133.7 -9.0 33.8 27.2 1.4 44 50 A G < - 0 0 71 -3,-0.6 -2,-0.1 -4,-0.2 -6,-0.0 0.915 55.9 -83.4 49.9 50.9 35.3 26.9 -2.1 45 51 A V - 0 0 77 -4,-0.3 2,-0.3 -7,-0.3 -7,-0.2 0.113 63.6 -85.6 42.8-162.6 34.4 30.5 -2.8 46 52 A E > - 0 0 63 -10,-0.4 3,-1.2 0, 0.0 2,-0.4 -0.997 33.4 -88.4-149.1 148.2 30.8 31.3 -3.9 47 53 A K T 3 S- 0 0 157 -2,-0.3 -10,-0.0 1,-0.3 -2,-0.0 -0.360 117.1 -1.5 -56.6 106.2 28.6 31.5 -7.0 48 54 A Y T >> S+ 0 0 41 -2,-0.4 4,-2.9 -13,-0.0 3,-1.2 -0.105 103.9 111.4 93.3 -22.6 28.9 35.1 -8.3 49 55 A G H <> S+ 0 0 0 -3,-1.2 4,-2.8 1,-0.3 -35,-0.2 0.864 76.2 49.6 -45.8 -45.9 31.3 35.9 -5.5 50 56 A P H 3> S+ 0 0 61 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.802 111.5 50.3 -69.4 -21.2 34.3 36.2 -7.8 51 57 A E H <> S+ 0 0 101 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.908 109.6 49.7 -80.7 -33.4 32.2 38.5 -10.0 52 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.943 112.3 49.2 -65.7 -40.4 31.2 40.6 -7.0 53 59 A S H X S+ 0 0 28 -4,-2.8 4,-2.7 -5,-0.3 5,-0.2 0.964 111.2 47.5 -62.4 -44.2 34.8 40.9 -6.1 54 60 A A H X S+ 0 0 33 -4,-1.8 4,-3.0 -5,-0.2 5,-0.2 0.897 112.2 51.8 -65.3 -35.8 36.0 41.8 -9.6 55 61 A F H X S+ 0 0 52 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.966 111.9 43.8 -58.8 -59.3 33.2 44.4 -9.8 56 62 A T H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.949 116.6 48.3 -54.6 -48.9 34.1 46.1 -6.5 57 63 A K H X S+ 0 0 74 -4,-2.7 4,-2.7 -5,-0.3 5,-0.3 0.903 111.9 48.4 -58.0 -47.8 37.8 46.0 -7.4 58 64 A K H X S+ 0 0 98 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.963 111.9 51.5 -57.5 -48.5 37.3 47.4 -10.9 59 65 A M H < S+ 0 0 39 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.922 118.8 31.7 -59.0 -44.5 35.2 50.1 -9.5 60 66 A V H >< S+ 0 0 4 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.2 0.860 114.7 58.0 -85.8 -31.6 37.5 51.4 -6.8 61 67 A E H 3< S+ 0 0 92 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.894 112.6 41.8 -65.3 -35.2 40.8 50.6 -8.6 62 68 A N T 3< S+ 0 0 133 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.404 92.3 111.8 -89.1 4.6 39.8 52.8 -11.5 63 69 A A < - 0 0 22 -3,-1.2 3,-0.2 1,-0.1 -55,-0.1 -0.508 54.9-154.7 -86.2 153.1 38.3 55.7 -9.5 64 70 A K S S+ 0 0 178 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.844 86.6 27.4 -81.0 -38.7 39.8 59.1 -9.3 65 71 A K - 0 0 139 -58,-0.0 24,-4.0 2,-0.0 2,-0.4 -0.987 64.8-166.8-133.2 121.6 38.2 59.8 -6.0 66 72 A I E -AE 6 88A 13 -60,-0.7 -60,-2.0 -2,-0.4 2,-0.4 -0.876 13.4-174.8 -96.6 129.5 37.2 57.4 -3.2 67 73 A E E -AE 5 87A 55 20,-3.2 20,-3.2 -2,-0.4 2,-0.4 -0.967 12.4-148.5-124.8 151.4 35.0 58.7 -0.5 68 74 A V E -AE 4 86A 0 -64,-3.3 -64,-2.5 -2,-0.4 2,-0.5 -0.886 7.2-167.6-114.2 141.0 33.8 57.1 2.7 69 75 A E E -AE 3 85A 12 16,-2.1 16,-2.3 -2,-0.4 -66,-0.2 -0.853 8.2-155.3-129.7 104.4 30.5 57.8 4.4 70 76 A F E - E 0 84A 29 -68,-0.6 -68,-0.3 -2,-0.5 14,-0.2 -0.373 17.4-133.2 -70.6 153.0 29.8 56.5 7.9 71 77 A D - 0 0 0 12,-0.8 41,-0.1 3,-0.2 -1,-0.1 -0.255 26.0-101.5 -92.9-164.0 26.2 55.9 8.9 72 78 A K S S+ 0 0 110 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.581 98.9 70.4 -97.8 -6.9 24.6 57.1 12.2 73 79 A G S S- 0 0 19 1,-0.3 38,-0.2 36,-0.1 2,-0.1 0.224 107.6 -31.3 -78.7-156.0 24.7 53.7 13.9 74 80 A Q - 0 0 95 36,-1.3 -1,-0.3 35,-0.1 -3,-0.2 -0.460 53.0-154.4 -66.5 139.7 27.7 51.8 15.1 75 81 A R + 0 0 131 -2,-0.1 8,-1.9 -3,-0.1 2,-0.3 0.452 69.8 38.2-102.2 -6.1 30.8 52.5 13.0 76 82 A T B -F 82 0A 75 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.993 69.7-136.9-141.3 151.7 32.9 49.3 13.5 77 83 A D > - 0 0 21 4,-1.7 3,-1.8 -2,-0.3 -2,-0.1 -0.309 44.5 -84.9 -94.4-172.4 32.0 45.7 13.8 78 84 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.685 127.6 57.3 -70.6 -11.2 33.5 43.1 16.2 79 85 A Y T 3 S- 0 0 178 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.371 119.3-106.9 -99.1 8.0 36.4 42.6 13.9 80 86 A G S < S+ 0 0 50 -3,-1.8 2,-0.3 1,-0.3 -53,-0.3 0.644 70.7 145.0 82.8 10.0 37.4 46.2 13.9 81 87 A R - 0 0 64 -55,-0.1 -4,-1.7 -53,-0.1 -1,-0.3 -0.646 52.8-116.7 -87.0 140.4 36.2 46.9 10.4 82 88 A G E -dF 28 76A 0 -55,-2.8 -53,-3.2 -2,-0.3 2,-0.6 -0.445 22.6-141.4 -68.3 147.5 34.7 50.3 9.5 83 89 A L E +d 29 0A 8 -8,-1.9 -12,-0.8 -55,-0.2 2,-0.3 -0.950 46.2 127.9-114.4 109.4 31.0 50.1 8.5 84 90 A A E -dE 30 70A 0 -55,-1.5 -53,-2.2 -2,-0.6 2,-0.5 -0.962 61.9-101.2-155.7 167.9 30.4 52.5 5.7 85 91 A Y E - 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0 0 144 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.929 42.3-176.0 48.5 53.2 16.7 38.9 -13.5 131 137 A L > < - 0 0 40 -5,-2.4 3,-3.7 3,-0.1 4,-0.2 -0.657 43.0 -59.5 -83.7 136.3 20.3 40.1 -13.0 132 138 A N G > S+ 0 0 52 -2,-0.3 3,-2.4 1,-0.3 -30,-0.2 0.087 135.9 29.3 31.8 -95.7 23.1 37.7 -12.0 133 139 A I G 3 S+ 0 0 42 -32,-2.6 -1,-0.3 1,-0.3 -31,-0.1 0.764 126.1 50.1 -65.3 -12.7 22.1 36.3 -8.6 134 140 A W G < 0 0 69 -3,-3.7 -1,-0.3 -33,-0.2 -2,-0.3 0.336 360.0 360.0-102.3 7.4 18.5 36.7 -9.7 135 141 A S < 0 0 106 -3,-2.4 -4,-0.1 -4,-0.2 -5,-0.1 0.576 360.0 360.0 -74.9 360.0 19.1 34.9 -13.0