==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUL-12 4G57 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.SAKON,W.E.STITES,E.GILL,E.LATIMER,J.ROSSER . 134 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 67.9 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 . 36 26.9 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 . 8 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.9 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 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 0 101 0, 0.0 2,-0.3 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 155.0 -0.6 -36.6 5.4 2 8 A H - 0 0 133 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.976 360.0-127.7-136.4 140.3 -3.8 -38.1 3.9 3 9 A K E -A 69 0A 74 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.743 24.5-169.3 -89.0 139.3 -6.4 -36.7 1.4 4 10 A E E -A 68 0A 43 64,-2.7 64,-2.8 -2,-0.3 2,-0.0 -0.961 26.3-103.0-125.2 149.6 -10.1 -36.7 2.4 5 11 A P E +A 67 0A 108 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.330 39.2 174.6 -70.0 151.0 -13.1 -36.0 0.2 6 12 A A E -A 66 0A 12 60,-1.9 60,-0.7 15,-0.1 2,-0.4 -0.962 21.3-136.7-148.6 157.1 -15.0 -32.8 0.2 7 13 A T E -B 20 0A 96 13,-2.1 13,-2.9 -2,-0.3 2,-0.1 -0.966 27.3-110.4-119.2 138.4 -17.8 -31.2 -1.8 8 14 A L E +B 19 0A 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.404 36.8 164.8 -65.3 132.8 -17.9 -27.7 -3.0 9 15 A I E - 0 0 74 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.711 69.2 -28.9-100.0 -60.2 -20.4 -25.3 -1.5 10 16 A K E -B 18 0A 123 8,-1.8 8,-3.5 50,-0.0 2,-0.5 -0.960 48.5-125.3-158.0 136.7 -19.0 -21.9 -2.8 11 17 A A E -B 17 0A 14 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.751 25.6-174.2 -78.8 129.0 -15.7 -20.3 -3.8 12 18 A I E - 0 0 45 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.814 57.3 -44.8 -99.9 -42.9 -15.3 -17.2 -1.7 13 19 A D E > S-B 16 0A 6 3,-1.9 3,-0.7 40,-0.1 -1,-0.4 -0.915 79.0 -57.9-165.3-156.9 -12.2 -15.7 -3.2 14 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.844 132.2 27.1 -63.2 -32.8 -8.7 -16.7 -4.4 15 21 A D T 3 S+ 0 0 3 20,-0.1 15,-2.7 21,-0.1 2,-0.4 0.370 115.4 63.4-110.3 1.4 -7.5 -18.1 -1.0 16 22 A T E < +BC 13 29A 11 -3,-0.7 -4,-2.1 13,-0.2 -3,-1.9 -0.989 50.3 172.7-143.3 131.1 -10.8 -19.2 0.6 17 23 A V E -BC 11 28A 0 11,-2.3 11,-3.3 -2,-0.4 2,-0.5 -0.991 26.5-133.4-139.0 140.7 -13.5 -21.8 -0.3 18 24 A K E +BC 10 27A 81 -8,-3.5 -9,-2.7 -2,-0.4 -8,-1.8 -0.881 35.0 174.0 -94.4 126.4 -16.5 -23.1 1.5 19 25 A L E -BC 8 26A 0 7,-2.6 7,-2.4 -2,-0.5 2,-0.6 -0.901 38.3-119.0-127.6 151.8 -16.8 -26.9 1.4 20 26 A M E +BC 7 25A 82 -13,-2.9 -13,-2.1 -2,-0.3 2,-0.4 -0.880 42.1 179.8 -84.0 119.6 -19.0 -29.7 2.9 21 27 A Y E > - C 0 24A 36 3,-2.8 3,-2.0 -2,-0.6 -15,-0.1 -0.996 63.1 -15.1-130.4 127.1 -16.5 -31.7 4.9 22 28 A K T 3 S- 0 0 166 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.901 131.5 -51.2 43.4 48.8 -17.5 -34.8 7.0 23 29 A G T 3 S+ 0 0 64 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.428 120.7 95.8 74.5 6.9 -21.1 -33.7 6.6 24 30 A Q E < S-C 21 0A 138 -3,-2.0 -3,-2.8 2,-0.0 2,-0.2 -0.973 75.5-113.5-128.2 139.7 -20.8 -30.1 7.8 25 31 A P E +C 20 0A 86 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.512 44.8 169.4 -65.3 137.0 -20.3 -26.8 5.9 26 32 A M E -C 19 0A 52 -7,-2.4 -7,-2.6 -2,-0.2 2,-0.4 -0.980 34.1-126.3-151.9 138.9 -16.9 -25.3 6.7 27 33 A T E -C 18 0A 38 -2,-0.3 55,-2.7 53,-0.3 2,-0.4 -0.725 28.2-159.3 -83.4 132.2 -14.8 -22.4 5.3 28 34 A F E -Cd 17 82A 3 -11,-3.3 -11,-2.3 -2,-0.4 2,-0.5 -0.942 9.0-154.6-115.1 138.6 -11.2 -23.4 4.3 29 35 A R E -Cd 16 83A 36 53,-3.4 55,-1.6 -2,-0.4 2,-0.5 -0.952 30.7-115.4-105.2 130.6 -8.3 -21.2 3.9 30 36 A L E > - d 0 84A 2 -15,-2.7 3,-1.1 -2,-0.5 55,-0.2 -0.527 35.5-118.0 -73.2 119.4 -5.6 -22.5 1.5 31 37 A L T 3 S+ 0 0 14 53,-2.5 55,-0.1 -2,-0.5 -1,-0.1 -0.202 82.5 3.2 -55.3 139.0 -2.4 -23.2 3.3 32 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.5 1,-0.1 2,-0.4 0.410 103.0 103.7 75.5 -2.1 0.9 -21.4 2.5 33 39 A V E < -H 105 0B 0 -3,-1.1 2,-0.5 72,-0.2 72,-0.2 -0.904 48.9-161.8-119.1 147.5 -0.4 -19.1 -0.2 34 40 A D E -H 104 0B 63 70,-2.7 70,-2.5 -2,-0.4 -3,-0.0 -0.981 16.2-174.4-119.9 112.7 -1.3 -15.4 -0.3 35 41 A T - 0 0 6 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.787 38.0 -97.1 -98.4 154.5 -3.5 -14.3 -3.1 36 42 A P - 0 0 12 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.419 53.8-129.0 -62.6 142.2 -4.5 -10.7 -3.9 37 43 A E - 0 0 47 1,-0.1 9,-2.3 -24,-0.1 12,-0.2 -0.690 29.9-165.7-107.5 152.4 -7.9 -10.3 -2.3 38 44 A T S S+ 0 0 30 -2,-0.3 -1,-0.1 7,-0.2 -25,-0.1 0.580 100.9 40.0 -95.3 -20.9 -11.3 -9.0 -3.5 39 45 A K S S+ 0 0 124 10,-0.1 5,-0.3 6,-0.0 6,-0.1 0.905 78.9 165.8 -89.1 -47.4 -12.5 -8.8 0.1 40 46 A H > - 0 0 52 3,-0.2 4,-1.6 1,-0.1 5,-0.0 0.813 41.7-128.6 14.6 120.1 -9.3 -7.4 1.9 41 47 A P T 4 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.763 104.0 13.3 -52.8 -32.9 -10.2 -6.1 5.5 42 48 A K T 4 S+ 0 0 181 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.712 136.0 37.3-113.1 -36.0 -8.5 -2.8 4.7 43 49 A K T 4 S- 0 0 125 1,-0.2 2,-0.7 3,-0.0 -3,-0.2 0.685 76.2-161.1-100.2 -20.6 -7.9 -2.6 1.0 44 50 A G < + 0 0 25 -4,-1.6 2,-0.5 -5,-0.3 -1,-0.2 -0.670 68.5 18.8 76.2-113.4 -11.0 -4.2 -0.6 45 51 A V S S- 0 0 95 -2,-0.7 -7,-0.2 -6,-0.1 2,-0.2 -0.851 73.9-170.2 -99.3 121.7 -10.1 -5.2 -4.3 46 52 A E > - 0 0 40 -9,-2.3 3,-2.1 -2,-0.5 2,-0.1 -0.626 38.0 -76.0-105.5 164.1 -6.4 -5.5 -5.2 47 53 A K T 3 S+ 0 0 151 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.0 -0.400 121.4 12.0 -62.3 131.0 -4.6 -6.0 -8.5 48 54 A Y T 3> S+ 0 0 56 -2,-0.1 4,-2.6 -13,-0.1 -1,-0.3 0.421 96.4 117.0 74.9 1.0 -4.9 -9.6 -9.8 49 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.5 -12,-0.2 -11,-0.2 0.957 76.7 42.5 -59.4 -56.2 -7.6 -10.1 -7.0 50 56 A P H > S+ 0 0 64 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.881 115.3 51.5 -58.8 -40.6 -10.4 -10.9 -9.5 51 57 A E H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.903 111.0 45.9 -60.9 -49.1 -8.1 -13.0 -11.6 52 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.924 114.3 49.7 -62.2 -44.3 -6.9 -15.1 -8.7 53 59 A S H X S+ 0 0 21 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.925 111.7 47.5 -57.1 -45.7 -10.6 -15.5 -7.5 54 60 A A H X S+ 0 0 39 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.879 110.6 53.4 -67.2 -34.9 -11.7 -16.6 -11.0 55 61 A F H X S+ 0 0 60 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.964 112.0 42.6 -66.6 -52.4 -8.9 -19.0 -11.2 56 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.939 114.7 52.6 -57.1 -46.5 -9.7 -20.8 -7.9 57 63 A K H X S+ 0 0 81 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.928 110.9 45.1 -57.0 -51.3 -13.5 -20.7 -8.8 58 64 A K H X S+ 0 0 92 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.908 113.0 51.5 -59.2 -44.3 -13.0 -22.4 -12.2 59 65 A M H < S+ 0 0 38 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.896 116.8 37.8 -61.5 -46.8 -10.7 -25.0 -10.8 60 66 A V H >< S+ 0 0 5 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.879 116.6 50.6 -74.9 -38.1 -13.0 -26.0 -8.0 61 67 A E H 3< S+ 0 0 90 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.781 112.9 46.0 -72.2 -26.1 -16.2 -25.7 -10.0 62 68 A N T 3< S+ 0 0 124 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.446 89.3 110.1 -98.6 1.1 -15.0 -27.8 -12.9 63 69 A A < - 0 0 24 -3,-0.7 3,-0.1 -4,-0.3 -3,-0.0 -0.446 56.8-152.4 -77.3 145.7 -13.4 -30.6 -10.9 64 70 A K S S+ 0 0 185 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.835 87.6 19.0 -74.9 -36.6 -14.9 -34.2 -10.7 65 71 A K - 0 0 149 -58,-0.0 24,-2.8 2,-0.0 2,-0.4 -1.000 65.3-164.0-140.2 132.3 -13.4 -34.8 -7.3 66 72 A L E -AE 6 88A 14 -60,-0.7 -60,-1.9 -2,-0.4 2,-0.3 -0.945 12.8-178.5-112.6 143.6 -12.2 -32.3 -4.6 67 73 A E E -AE 5 87A 58 20,-2.1 20,-2.9 -2,-0.4 2,-0.3 -0.983 14.5-148.2-137.9 148.5 -10.0 -33.5 -1.7 68 74 A V E -AE 4 86A 0 -64,-2.8 -64,-2.7 -2,-0.3 2,-0.4 -0.891 6.8-164.3-113.2 145.8 -8.5 -31.7 1.3 69 75 A E E -AE 3 85A 10 16,-2.1 16,-2.7 -2,-0.3 -66,-0.2 -0.979 10.0-150.4-131.2 115.1 -5.3 -32.6 3.0 70 76 A F E - E 0 84A 18 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.498 16.7-128.1 -76.7 154.5 -4.5 -31.2 6.5 71 77 A D - 0 0 1 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.162 33.3 -89.9 -89.3-165.2 -0.9 -30.6 7.5 72 78 A K S S+ 0 0 111 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.594 103.9 53.2 -86.3 -13.8 0.9 -31.8 10.6 73 79 A G S S- 0 0 13 1,-0.3 -2,-0.1 38,-0.1 37,-0.0 0.080 107.3 -17.3-104.1-151.5 0.0 -28.8 12.8 74 80 A Q - 0 0 129 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.2 -0.252 49.7-156.3 -57.7 140.6 -3.2 -26.9 13.8 75 81 A R S S+ 0 0 121 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.515 73.0 42.3 -98.1 -10.1 -6.0 -27.7 11.5 76 82 A T B S-F 82 0A 82 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.979 72.2-137.0-132.1 148.5 -8.1 -24.5 12.1 77 83 A D > - 0 0 36 4,-2.3 3,-1.9 -2,-0.3 -2,-0.1 -0.370 43.4 -86.0 -91.3-174.0 -7.1 -20.8 12.4 78 84 A K T 3 S+ 0 0 182 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.684 126.4 57.7 -69.3 -15.6 -8.4 -18.2 14.9 79 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.304 119.9-104.9 -94.2 7.7 -11.4 -17.5 12.6 80 86 A G S < S+ 0 0 50 -3,-1.9 2,-0.4 1,-0.3 -53,-0.3 0.570 73.8 143.5 79.6 7.3 -12.7 -21.0 12.5 81 87 A R - 0 0 60 -55,-0.1 -4,-2.3 -53,-0.1 -1,-0.3 -0.675 53.5-117.9 -82.5 136.1 -11.4 -21.7 9.0 82 88 A G E -dF 28 76A 1 -55,-2.7 -53,-3.4 -2,-0.4 2,-0.6 -0.380 22.3-142.0 -61.9 140.9 -9.9 -25.1 8.1 83 89 A L E +d 29 0A 27 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.938 44.2 132.1-112.7 108.3 -6.2 -24.9 7.0 84 90 A A E -dE 30 70A 3 -55,-1.6 -53,-2.5 -2,-0.6 2,-0.4 -0.953 59.3-108.8-152.6 166.5 -5.5 -27.3 4.2 85 91 A Y E - 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