==== 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 2F0S . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.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) . 7544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 70.4 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 . 12 8.9 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 . 29 21.5 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 99 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 158.0 60.4 24.6 -6.8 2 8 A H - 0 0 115 68,-0.3 68,-0.5 69,-0.1 2,-0.4 -0.986 360.0-127.2-134.6 150.2 61.9 27.8 -5.4 3 9 A K - 0 0 86 -2,-0.4 66,-0.2 66,-0.1 83,-0.1 -0.708 23.8-168.4 -90.3 140.8 60.5 30.3 -2.9 4 10 A E E -A 68 0A 30 64,-2.8 64,-3.1 -2,-0.4 2,-0.1 -0.968 25.4-105.3-126.5 147.9 60.4 34.0 -3.8 5 11 A P E +A 67 0A 84 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.300 40.1 168.8 -73.5 153.0 59.7 37.0 -1.5 6 12 A A E -A 66 0A 10 60,-1.9 60,-0.6 15,-0.1 2,-0.4 -0.955 24.7-131.1-152.1 165.1 56.5 38.9 -1.6 7 13 A T E -B 20 0A 96 13,-1.6 13,-2.8 -2,-0.3 2,-0.2 -0.975 26.8-110.2-127.8 138.5 54.8 41.5 0.5 8 14 A L E +B 19 0A 42 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.400 37.4 164.1 -65.4 130.6 51.2 41.6 1.8 9 15 A I E - 0 0 79 9,-2.4 2,-0.3 1,-0.3 10,-0.2 0.721 68.5 -25.7-104.5 -54.7 48.9 44.1 0.3 10 16 A K E -B 18 0A 116 8,-2.0 8,-3.3 0, 0.0 2,-0.5 -0.966 48.6-132.0-159.4 136.7 45.5 42.8 1.3 11 17 A A E -B 17 0A 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.844 25.0-179.8 -86.7 130.2 44.0 39.4 2.3 12 18 A I - 0 0 37 4,-2.0 2,-0.3 -2,-0.5 5,-0.2 0.771 59.0 -22.6 -99.4 -31.6 40.7 39.1 0.3 13 19 A D S S- 0 0 4 3,-1.9 -1,-0.3 40,-0.1 3,-0.2 -0.909 81.1 -72.4-160.9 179.9 39.4 35.8 1.4 14 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.863 131.0 20.4 -55.0 -38.0 40.5 32.5 2.9 15 21 A D S S+ 0 0 4 1,-0.1 15,-3.1 20,-0.1 2,-0.4 0.402 115.0 69.9-123.0 11.2 42.1 31.4 -0.3 16 22 A T E + C 0 29A 15 13,-0.2 -4,-2.0 -3,-0.2 -3,-1.9 -0.992 53.7 168.2-132.4 124.1 42.8 34.6 -2.2 17 23 A V E -BC 11 28A 0 11,-2.4 11,-3.7 -2,-0.4 2,-0.5 -0.977 30.5-130.1-135.0 149.4 45.3 37.3 -1.3 18 24 A K E +BC 10 27A 68 -8,-3.3 -9,-2.4 -2,-0.3 -8,-2.0 -0.891 35.4 174.5 -98.1 125.2 46.8 40.3 -3.0 19 25 A L E -BC 8 26A 0 7,-3.2 7,-2.8 -2,-0.5 2,-0.7 -0.910 37.5-119.0-130.9 154.8 50.6 40.5 -2.8 20 26 A M E +BC 7 25A 66 -13,-2.8 -13,-1.6 -2,-0.3 2,-0.4 -0.857 41.0 177.5 -89.0 114.7 53.4 42.6 -4.2 21 27 A Y E > - C 0 24A 33 3,-2.5 3,-1.9 -2,-0.7 -15,-0.1 -0.991 65.7 -13.6-127.9 123.6 55.4 40.2 -6.3 22 28 A K T 3 S- 0 0 110 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.909 130.0 -54.9 48.8 48.0 58.5 41.4 -8.3 23 29 A G T 3 S+ 0 0 69 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.412 118.7 102.4 70.1 3.2 57.4 44.9 -7.7 24 30 A Q E < S-C 21 0A 132 -3,-1.9 -3,-2.5 -5,-0.0 2,-0.2 -0.927 74.8-114.7-117.1 141.2 53.8 44.5 -9.1 25 31 A P E +C 20 0A 86 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.564 45.0 173.5 -70.5 136.2 50.5 44.1 -7.2 26 32 A M E -C 19 0A 40 -7,-2.8 -7,-3.2 -2,-0.2 2,-0.5 -0.991 32.9-129.7-145.4 140.4 49.0 40.7 -8.0 27 33 A T E -C 18 0A 42 -2,-0.3 55,-2.6 -9,-0.3 2,-0.4 -0.754 28.5-161.2 -83.8 126.4 46.1 38.6 -6.8 28 34 A F E -Cd 17 82A 0 -11,-3.7 -11,-2.4 -2,-0.5 2,-0.5 -0.942 10.7-153.5-112.5 137.4 47.2 35.0 -5.8 29 35 A R E -Cd 16 83A 38 53,-3.1 55,-1.7 -2,-0.4 2,-0.4 -0.903 31.0-116.7-100.2 128.5 44.9 32.0 -5.5 30 36 A L E > - d 0 84A 1 -15,-3.1 3,-0.9 -2,-0.5 55,-0.2 -0.576 35.0-116.9 -72.1 126.8 46.3 29.5 -2.9 31 37 A L T 3 S+ 0 0 14 53,-2.7 55,-0.1 -2,-0.4 -1,-0.1 -0.351 82.4 2.1 -62.6 140.1 47.0 26.2 -4.7 32 38 A L T 3 S+ 0 0 11 75,-0.2 74,-2.3 1,-0.1 2,-0.4 0.406 105.0 100.7 72.4 9.0 45.2 22.9 -3.9 33 39 A V E < -H 105 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.972 49.2-163.9-130.9 143.1 42.9 24.2 -1.3 34 40 A D E -H 104 0B 55 70,-2.9 70,-2.7 -2,-0.4 -3,-0.0 -0.980 13.6-172.5-115.0 117.4 39.2 25.3 -1.2 35 41 A T - 0 0 9 -2,-0.5 68,-0.2 68,-0.2 2,-0.1 -0.700 37.8 -99.1 -99.8 158.4 38.1 27.4 1.8 36 42 A P - 0 0 12 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.509 54.2-134.8 -67.4 142.6 34.5 28.3 2.4 37 43 A E - 0 0 52 -2,-0.1 9,-2.1 1,-0.1 12,-0.2 -0.650 30.8-158.5-107.9 166.2 34.1 31.8 1.1 38 44 A T S S+ 0 0 39 11,-0.2 2,-0.8 7,-0.2 -1,-0.1 0.499 80.7 83.0 -98.6 -19.3 32.7 35.1 2.1 39 45 A K + 0 0 117 10,-0.1 -1,-0.1 4,-0.0 6,-0.1 -0.816 67.4 64.6-102.7 107.9 32.6 36.2 -1.5 40 46 A H > - 0 0 72 -2,-0.8 4,-4.2 -3,-0.1 -3,-0.0 -0.128 55.2-143.6 150.8 126.1 29.6 35.1 -3.7 41 47 A P T 4 S+ 0 0 116 0, 0.0 2,-2.4 0, 0.0 4,-0.1 0.954 100.8 65.6 -62.5 -56.3 25.9 35.7 -3.8 42 48 A K T 4 S+ 0 0 159 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.589 125.2 16.1 -67.7 89.7 25.0 32.3 -4.9 43 49 A K T 4 S- 0 0 118 -2,-2.4 2,-0.3 2,-0.1 -1,-0.2 -0.553 89.6-163.0 145.5 -63.2 26.4 31.2 -1.5 44 50 A G < - 0 0 30 -4,-4.2 2,-0.8 2,-0.1 -2,-0.1 -0.687 68.0 -17.6 77.6-137.0 26.5 34.4 0.5 45 51 A V S S- 0 0 94 -2,-0.3 -7,-0.2 -6,-0.1 3,-0.1 -0.855 79.7-151.8 -90.1 100.3 28.8 33.9 3.5 46 52 A E > - 0 0 65 -9,-2.1 3,-2.0 -2,-0.8 -2,-0.1 -0.400 32.6 -79.6 -75.1 161.5 29.2 30.2 3.9 47 53 A K T 3 S+ 0 0 148 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.314 118.1 13.7 -61.1 135.7 29.9 28.6 7.3 48 54 A Y T 3> S+ 0 0 30 -3,-0.1 4,-2.7 -13,-0.1 5,-0.3 0.382 96.0 114.1 73.7 -0.6 33.5 28.8 8.5 49 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.5 -12,-0.2 -11,-0.2 0.968 76.9 43.8 -63.1 -51.5 34.1 31.4 5.7 50 56 A P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.894 115.5 51.0 -61.2 -34.9 34.8 34.3 8.1 51 57 A E H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 111.0 46.0 -64.4 -49.3 37.0 32.0 10.2 52 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.915 114.3 50.7 -60.3 -40.0 39.0 30.8 7.2 53 59 A S H X S+ 0 0 25 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.926 110.7 45.9 -69.7 -38.8 39.3 34.4 6.1 54 60 A A H X S+ 0 0 31 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.873 110.5 55.7 -70.1 -34.4 40.5 35.7 9.4 55 61 A F H X S+ 0 0 54 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.973 109.9 43.3 -61.2 -51.5 43.0 32.9 9.8 56 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.947 115.6 51.2 -59.6 -41.5 44.7 33.6 6.4 57 63 A K H X S+ 0 0 83 -4,-1.7 4,-2.7 -5,-0.3 -2,-0.2 0.949 112.3 43.7 -62.7 -45.7 44.6 37.3 7.2 58 64 A K H X S+ 0 0 118 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.915 111.2 54.1 -69.5 -38.2 46.2 37.0 10.7 59 65 A M H < S+ 0 0 38 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.933 116.2 38.5 -64.6 -40.8 48.8 34.5 9.6 60 66 A L H >< S+ 0 0 4 -4,-2.3 3,-1.3 -5,-0.3 -1,-0.2 0.900 113.8 52.5 -74.5 -39.3 50.0 36.8 6.8 61 67 A E H 3< S+ 0 0 98 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.838 111.9 47.0 -68.0 -26.9 49.7 40.1 8.7 62 68 A N T 3< S+ 0 0 130 -4,-2.0 -1,-0.3 -5,-0.2 2,-0.2 0.321 89.8 115.2 -96.4 8.7 51.7 38.9 11.6 63 69 A A < - 0 0 23 -3,-1.3 3,-0.1 1,-0.1 -3,-0.0 -0.498 54.9-155.8 -81.0 146.0 54.5 37.4 9.5 64 70 A K S S+ 0 0 192 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.874 88.1 17.7 -72.7 -44.5 58.1 38.6 9.4 65 71 A K - 0 0 111 -58,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.997 64.9-162.6-136.4 133.6 58.6 37.1 5.9 66 72 A I E -AE 6 88A 16 -60,-0.6 -60,-1.9 -2,-0.4 2,-0.3 -0.959 14.0-177.8-115.0 135.8 56.1 36.1 3.2 67 73 A E E -AE 5 87A 43 20,-2.0 20,-2.8 -2,-0.4 2,-0.4 -0.971 14.0-149.4-130.9 147.9 57.2 33.8 0.3 68 74 A V E -AE 4 86A 0 -64,-3.1 -64,-2.8 -2,-0.3 2,-0.4 -0.902 6.9-163.8-115.8 147.4 55.4 32.5 -2.7 69 75 A E E - E 0 85A 8 16,-2.4 16,-2.9 -2,-0.4 2,-0.2 -0.955 7.4-152.6-133.1 109.3 56.2 29.2 -4.4 70 76 A F E - E 0 84A 14 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.489 17.7-131.8 -74.7 147.9 54.9 28.4 -7.9 71 77 A D - 0 0 5 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.035 33.7 -86.7 -87.7-163.1 54.4 24.8 -8.9 72 78 A K S S+ 0 0 125 39,-0.6 40,-0.2 -71,-0.0 3,-0.1 0.658 104.2 51.9 -82.3 -19.1 55.6 23.0 -12.1 73 79 A G S S- 0 0 20 1,-0.3 37,-0.1 38,-0.1 -3,-0.0 0.155 108.1 -20.2-100.0-143.9 52.6 23.8 -14.4 74 80 A Q - 0 0 142 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.336 49.8-153.0 -71.0 150.3 50.9 27.0 -15.3 75 81 A R S S+ 0 0 130 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.479 73.1 43.2-105.4 -7.3 51.4 29.9 -12.9 76 82 A T B S-F 82 0A 72 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.962 72.2-136.9-131.3 155.9 48.2 31.9 -13.5 77 83 A D > - 0 0 29 4,-1.9 3,-2.1 -2,-0.3 -2,-0.1 -0.420 44.6 -82.3 -98.8-172.2 44.6 30.9 -13.9 78 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.0 -2,-0.1 -2,-0.0 0.652 127.8 57.1 -69.0 -11.1 42.0 32.1 -16.4 79 85 A Y T 3 S- 0 0 175 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.382 119.5-105.2 -98.9 5.0 41.3 35.1 -14.1 80 86 A G S < S+ 0 0 48 -3,-2.1 2,-0.3 1,-0.3 -53,-0.2 0.590 73.7 142.4 88.3 2.6 44.9 36.4 -14.1 81 87 A R - 0 0 62 -55,-0.1 -4,-1.9 -53,-0.1 -1,-0.3 -0.606 54.4-116.8 -83.0 140.5 45.5 35.1 -10.5 82 88 A G E -dF 28 76A 0 -55,-2.6 -53,-3.1 -2,-0.3 2,-0.6 -0.485 22.6-139.6 -68.6 145.3 48.9 33.7 -9.6 83 89 A L E +d 29 0A 23 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.929 44.9 134.7-110.7 106.6 48.7 30.0 -8.6 84 90 A A E -dE 30 70A 0 -55,-1.7 -53,-2.7 -2,-0.6 2,-0.5 -0.947 59.7-109.4-151.5 165.0 51.0 29.4 -5.6 85 91 A Y E - 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