==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(PHOSPHORIC DIESTER) 07-JAN-94 1SYF . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.R.HYNES,A.HODEL,R.O.FOX . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 62.5 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 . 30 22.1 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 . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.1 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 . 1 2 1 2 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 0 241 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 138.5 -1.8 39.3 22.8 2 7 A L - 0 0 40 68,-0.1 2,-0.3 113,-0.0 70,-0.1 -0.409 360.0-166.9 -77.9 154.7 0.8 37.0 21.2 3 8 A H - 0 0 108 68,-0.4 68,-0.5 -2,-0.1 2,-0.3 -0.991 18.6-120.9-145.2 146.6 3.9 38.5 19.5 4 9 A K - 0 0 90 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.661 24.1-168.0 -87.6 138.0 6.6 37.1 17.2 5 10 A E E -A 69 0A 29 64,-3.0 64,-3.2 -2,-0.3 2,-0.0 -0.958 26.6-106.5-123.7 145.4 10.3 37.1 18.2 6 11 A P E +A 68 0A 106 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.311 39.9 169.3 -72.1 155.9 13.3 36.4 15.9 7 12 A A E -A 67 0A 13 60,-1.8 60,-0.7 15,-0.1 2,-0.4 -0.927 26.4-125.1-154.5 169.1 15.3 33.1 16.1 8 13 A T E -D 21 0B 94 13,-2.1 13,-3.4 -2,-0.3 2,-0.1 -0.996 26.1-113.5-127.0 131.8 17.9 31.4 14.0 9 14 A L E +D 20 0B 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.331 35.5 166.3 -64.1 136.5 17.8 27.9 12.6 10 15 A I E - 0 0 66 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.706 68.4 -28.2-106.4 -64.1 20.4 25.5 14.0 11 16 A K E -D 19 0B 118 8,-1.8 8,-3.5 0, 0.0 2,-0.3 -0.966 49.1-126.1-159.9 141.4 18.9 22.2 12.8 12 17 A A E -D 18 0B 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.697 24.3-177.4 -85.7 136.6 15.5 20.6 11.8 13 18 A I - 0 0 63 4,-2.0 2,-0.2 1,-0.4 5,-0.2 0.822 57.1 -39.7-103.4 -48.9 15.0 17.3 13.7 14 19 A D S S- 0 0 13 3,-1.9 -1,-0.4 39,-0.1 3,-0.3 -0.765 83.3 -56.3-158.8-162.4 11.8 15.9 12.3 15 20 A G S S+ 0 0 0 22,-0.3 83,-0.1 -2,-0.2 23,-0.1 0.821 132.4 18.3 -60.1 -37.2 8.3 17.1 11.3 16 21 A D S S+ 0 0 7 21,-0.1 15,-2.4 20,-0.1 2,-0.4 0.284 113.1 71.1-122.0 12.8 7.5 18.8 14.6 17 22 A T E + E 0 30B 12 -3,-0.3 -4,-2.0 13,-0.2 -3,-1.9 -0.999 51.3 165.8-133.6 126.6 10.8 19.3 16.4 18 23 A V E -DE 12 29B 2 11,-1.9 11,-3.4 -2,-0.4 2,-0.5 -0.953 30.3-130.8-139.0 152.9 13.5 21.9 15.4 19 24 A K E +DE 11 28B 69 -8,-3.5 -9,-2.3 -2,-0.3 -8,-1.8 -0.926 33.6 173.6-107.5 129.9 16.5 23.3 17.2 20 25 A L E -DE 9 27B 0 7,-2.5 7,-2.5 -2,-0.5 2,-0.6 -0.908 38.2-117.5-131.0 160.9 16.9 27.1 17.1 21 26 A M E -DE 8 26B 72 -13,-3.4 -13,-2.1 -2,-0.3 2,-0.5 -0.887 40.5-176.2 -97.5 119.2 19.1 29.7 18.5 22 27 A Y E > - E 0 25B 16 3,-2.9 3,-1.8 -2,-0.6 -15,-0.1 -0.988 64.6 -18.6-127.3 120.4 16.7 31.8 20.7 23 28 A K T 3 S- 0 0 152 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.924 131.3 -49.9 49.8 47.4 17.9 35.0 22.5 24 29 A G T 3 S+ 0 0 68 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.537 120.0 97.1 72.0 13.3 21.4 33.7 22.1 25 30 A Q E < S-E 22 0B 114 -3,-1.8 -3,-2.9 -5,-0.0 2,-0.3 -0.994 73.7-115.1-133.3 142.3 21.0 30.1 23.4 26 31 A P E +E 21 0B 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.533 44.2 167.6 -71.1 130.7 20.4 26.8 21.6 27 32 A M E -E 20 0B 35 -7,-2.5 -7,-2.5 -2,-0.3 2,-0.4 -0.993 35.8-124.1-144.8 150.6 17.0 25.3 22.4 28 33 A T E -E 19 0B 44 -2,-0.3 55,-3.1 53,-0.3 2,-0.4 -0.799 29.0-159.8 -94.2 132.5 14.8 22.5 21.1 29 34 A F E -Ef 18 83B 0 -11,-3.4 -11,-1.9 -2,-0.4 2,-0.5 -0.920 7.3-158.6-114.7 142.9 11.3 23.7 20.1 30 35 A R E -Ef 17 84B 20 53,-3.4 55,-1.3 -2,-0.4 -13,-0.2 -0.985 30.3-113.6-117.5 127.4 8.2 21.5 19.7 31 36 A L E > - f 0 85B 4 -15,-2.4 3,-0.8 -2,-0.5 55,-0.2 -0.458 32.4-116.8 -64.8 133.0 5.4 22.9 17.6 32 37 A L T 3 S+ 0 0 13 53,-2.1 55,-0.1 1,-0.2 -1,-0.1 -0.285 84.5 3.8 -67.4 149.7 2.2 23.7 19.4 33 38 A L T 3 S+ 0 0 4 75,-0.5 74,-1.2 80,-0.2 2,-0.3 0.509 108.2 86.6 55.8 14.4 -1.1 21.9 18.7 34 39 A V E < -H 106 0C 0 -3,-0.8 2,-0.3 72,-0.3 72,-0.2 -0.903 52.0-157.4-135.8 169.9 0.1 19.3 16.1 35 40 A D E -H 105 0C 52 70,-1.6 70,-1.7 -2,-0.3 3,-0.1 -0.928 7.7-163.7-148.4 116.2 1.7 15.9 15.8 36 41 A T - 0 0 2 -2,-0.3 68,-0.2 68,-0.2 -20,-0.1 -0.687 44.1 -82.0 -92.6 153.8 3.6 14.7 12.8 37 42 A P - 0 0 14 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.201 53.7-102.4 -60.7 140.8 4.2 10.9 12.5 38 43 A E + 0 0 57 1,-0.1 9,-2.1 -24,-0.1 12,-0.2 -0.360 40.8 167.4 -67.3 145.0 7.1 9.5 14.5 39 44 A T S S+ 0 0 29 7,-0.2 -1,-0.1 11,-0.1 7,-0.1 0.358 72.5 41.7-134.9 -3.1 10.4 8.6 13.0 40 45 A K S S+ 0 0 143 5,-0.2 6,-0.1 3,-0.1 -2,-0.0 0.813 82.0 86.0-117.3 -43.7 12.6 8.0 16.0 41 46 A H S > S- 0 0 90 4,-0.2 4,-0.7 2,-0.1 -3,-0.0 -0.479 70.2-130.0 -72.4 136.8 11.1 6.1 19.0 42 47 A P T 4 S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.621 88.4 89.6 -53.8 -19.2 11.3 2.3 19.0 43 48 A K T 4 S- 0 0 150 1,-0.2 -2,-0.1 2,-0.1 -3,-0.1 -0.717 110.1 -5.8 -88.8 128.1 7.5 2.3 19.8 44 49 A K T 4 S- 0 0 185 -2,-0.5 -1,-0.2 2,-0.1 2,-0.2 0.184 101.7-143.3 72.7 -14.1 5.4 2.3 16.6 45 50 A G < - 0 0 27 -4,-0.7 2,-0.9 1,-0.1 -4,-0.2 -0.447 59.2 -5.6 68.5-136.1 8.7 2.6 14.8 46 51 A V S S- 0 0 101 -2,-0.2 -7,-0.2 -7,-0.1 3,-0.1 -0.861 80.2-149.3 -94.8 95.8 8.8 4.8 11.6 47 52 A E > - 0 0 56 -9,-2.1 3,-1.9 -2,-0.9 2,-0.1 -0.186 27.4 -87.2 -70.3 157.3 5.2 5.8 11.0 48 53 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 2,-0.1 -10,-0.1 -0.465 116.0 17.9 -64.5 134.0 3.8 6.4 7.5 49 54 A Y T 3> S+ 0 0 41 -2,-0.1 4,-2.7 -3,-0.1 -1,-0.3 0.277 93.5 114.8 81.9 -3.3 4.2 10.0 6.3 50 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.6 1,-0.2 -35,-0.2 0.978 78.1 42.4 -56.2 -57.4 6.9 10.4 9.1 51 56 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.861 114.5 52.2 -59.4 -40.7 9.7 10.9 6.5 52 57 A E H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.896 109.0 48.3 -64.9 -42.6 7.6 13.1 4.4 53 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.925 112.3 50.8 -63.0 -43.7 6.6 15.4 7.3 54 59 A S H X S+ 0 0 25 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.916 110.7 47.9 -58.6 -49.2 10.3 15.6 8.3 55 60 A A H X S+ 0 0 59 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.874 110.7 52.7 -61.3 -41.6 11.2 16.5 4.7 56 61 A F H X S+ 0 0 58 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.967 112.1 42.5 -58.1 -58.8 8.5 19.2 4.6 57 62 A T H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.4 0.942 112.6 54.9 -53.9 -48.1 9.5 21.0 7.7 58 63 A K H X S+ 0 0 100 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.942 110.6 45.0 -51.9 -51.8 13.2 20.8 6.9 59 64 A K H X S+ 0 0 140 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.885 112.4 51.8 -61.7 -44.3 12.7 22.4 3.5 60 65 A M H < S+ 0 0 35 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.906 116.6 37.0 -61.9 -47.9 10.5 25.1 4.9 61 66 A V H < S+ 0 0 4 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.811 115.8 53.7 -76.6 -33.3 12.8 26.3 7.7 62 67 A E H < S+ 0 0 93 -4,-2.7 -2,-0.2 -5,-0.4 -1,-0.2 0.827 110.4 45.9 -72.0 -29.5 16.0 25.8 5.7 63 68 A N S < S+ 0 0 118 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.482 90.4 110.2 -88.5 -6.1 14.8 28.0 2.8 64 69 A A - 0 0 24 -3,-0.4 3,-0.1 -4,-0.4 -3,-0.0 -0.363 56.2-155.2 -74.4 151.9 13.5 30.8 4.9 65 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.810 86.9 24.7 -84.1 -38.8 15.1 34.3 5.1 66 71 A K - 0 0 147 -58,-0.0 24,-2.7 -60,-0.0 2,-0.4 -0.994 63.7-165.1-131.9 133.2 13.5 34.9 8.5 67 72 A I E -AB 7 89A 13 -60,-0.7 -60,-1.8 -2,-0.4 2,-0.3 -0.920 13.3-175.3-116.1 137.8 12.4 32.5 11.3 68 73 A E E -AB 6 88A 55 20,-2.2 20,-2.6 -2,-0.4 2,-0.4 -0.964 12.8-150.1-130.5 150.0 10.1 33.8 14.1 69 74 A V E -AB 5 87A 0 -64,-3.2 -64,-3.0 -2,-0.3 2,-0.4 -0.935 7.4-169.1-118.4 144.5 8.8 32.1 17.3 70 75 A E E - B 0 86A 8 16,-2.0 16,-2.5 -2,-0.4 -66,-0.2 -0.950 10.1-154.0-135.8 108.8 5.5 33.0 19.0 71 76 A F - 0 0 15 -68,-0.5 -68,-0.4 -2,-0.4 14,-0.2 -0.480 15.8-129.8 -77.6 157.6 4.8 31.6 22.4 72 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.006 34.2 -87.6 -89.8-160.6 1.2 31.1 23.5 73 78 A K S S+ 0 0 144 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.549 103.0 48.4 -90.1 -11.6 -0.3 32.4 26.8 74 79 A G S S- 0 0 19 1,-0.3 39,-0.1 38,-0.1 -2,-0.0 0.074 106.8 -8.9-107.7-142.2 0.5 29.4 29.1 75 80 A Q - 0 0 113 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.3 -0.201 49.2-156.0 -60.2 143.1 3.6 27.3 29.8 76 81 A R S S+ 0 0 114 -3,-0.1 8,-2.0 -5,-0.1 2,-0.3 0.515 73.4 40.5 -99.0 -4.8 6.5 27.9 27.5 77 82 A T B S-G 83 0B 73 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.958 71.4-134.1-140.0 155.1 8.3 24.6 27.9 78 83 A D > - 0 0 32 4,-2.1 3,-1.7 -2,-0.3 -2,-0.1 -0.333 46.5 -85.1 -95.1-176.1 7.2 20.9 28.1 79 84 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.707 127.5 58.0 -67.5 -16.7 8.4 18.3 30.6 80 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.220 120.2-104.8 -91.9 8.7 11.4 17.5 28.4 81 86 A G S < S+ 0 0 48 -3,-1.7 2,-0.3 1,-0.3 -53,-0.3 0.545 74.0 143.4 77.6 8.3 12.7 21.2 28.4 82 87 A R - 0 0 62 -55,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.650 54.0-116.7 -83.1 140.4 11.5 21.8 24.8 83 88 A G E -fG 29 77B 0 -55,-3.1 -53,-3.4 -2,-0.3 2,-0.6 -0.492 22.5-142.0 -74.9 141.0 10.0 25.3 24.0 84 89 A L E +f 30 0B 25 -8,-2.0 -12,-0.5 -55,-0.2 2,-0.3 -0.947 43.4 129.6-107.0 110.6 6.4 25.2 23.0 85 90 A A E -f 31 0B 0 -55,-1.3 -53,-2.1 -2,-0.6 2,-0.5 -0.954 61.2-105.7-152.4 172.5 5.6 27.7 20.2 86 91 A Y E -B 70 0A 0 -16,-2.5 -16,-2.0 -2,-0.3 2,-0.4 -0.889 43.0-150.6 -95.7 129.8 4.1 28.5 16.8 87 92 A I E -B 69 0A 1 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.944 8.3-160.4-111.2 136.5 7.0 28.8 14.3 88 93 A Y E -BC 68 93A 16 -20,-2.6 -20,-2.2 -2,-0.4 2,-0.5 -0.925 8.1-163.8-115.8 138.3 6.9 31.1 11.3 89 94 A A E > S-BC 67 92A 7 3,-2.5 3,-1.9 -2,-0.4 -22,-0.2 -0.996 86.8 -19.8-120.7 112.0 9.1 30.9 8.1 90 95 A D T 3 S- 0 0 74 -24,-2.7 -1,-0.1 -2,-0.5 -23,-0.1 0.867 130.2 -52.3 52.0 45.4 8.9 34.1 6.1 91 96 A G T 3 S+ 0 0 50 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.451 113.5 119.3 71.7 9.2 5.7 34.9 7.9 92 97 A K E < -C 89 0A 112 -3,-1.9 -3,-2.5 4,-0.0 2,-0.4 -0.928 67.6-122.7-103.9 124.6 4.1 31.5 7.1 93 98 A M E > -C 88 0A 17 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.487 14.3-158.7 -71.0 118.8 3.1 29.3 10.2 94 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.2 -2,-0.4 5,-0.2 0.891 91.9 59.9 -60.3 -44.7 4.9 25.9 9.9 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.900 111.3 39.3 -50.9 -48.0 2.3 24.4 12.3 96 101 A E H > S+ 0 0 31 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.903 109.5 59.0 -70.2 -44.1 -0.5 25.4 9.9 97 102 A A H X S+ 0 0 4 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.899 107.3 48.7 -49.8 -47.5 1.3 24.5 6.7 98 103 A L H <>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 6,-0.6 0.918 112.6 46.6 -61.1 -47.9 1.8 20.9 8.0 99 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.912 109.3 54.9 -62.7 -44.1 -1.9 20.5 8.9 100 105 A R H 3<5S+ 0 0 71 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.801 109.2 47.9 -60.6 -31.8 -3.0 21.9 5.6 101 106 A Q T 3<5S- 0 0 81 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.331 114.3-114.1 -86.4 -3.0 -1.0 19.3 3.7 102 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.2 -4,-0.3 -3,-0.2 0.816 85.0 119.4 71.1 32.1 -2.3 16.4 5.7 103 108 A L S - 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