==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-APR-13 4K5W . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,E.FLORES,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 132 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 66.7 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 . 31 23.5 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 2.3 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.5 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 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 0 3 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 7 A L 0 0 104 0, 0.0 2,-0.3 0, 0.0 68,-0.1 0.000 360.0 360.0 360.0 151.2 -23.1 -12.6 -3.9 2 8 A H - 0 0 106 66,-0.4 66,-0.5 67,-0.1 2,-0.3 -0.992 360.0-122.7-136.8 153.4 -19.9 -13.8 -2.2 3 9 A K E -A 67 0A 85 -2,-0.3 64,-0.2 64,-0.2 81,-0.1 -0.684 26.9-173.5 -91.5 141.1 -17.4 -12.5 0.3 4 10 A E E -A 66 0A 18 62,-2.5 62,-3.0 -2,-0.3 -2,-0.0 -0.977 26.9-105.7-130.2 146.8 -13.6 -12.4 -0.7 5 11 A P E +A 65 0A 106 0, 0.0 17,-0.3 0, 0.0 2,-0.3 -0.292 37.4 172.0 -74.7 156.4 -10.7 -11.5 1.5 6 12 A A E -A 64 0A 11 58,-1.9 58,-0.7 15,-0.1 2,-0.5 -0.959 24.8-127.9-150.8 162.7 -8.8 -8.3 1.4 7 13 A T E -D 20 0B 93 13,-2.1 13,-3.2 -2,-0.3 2,-0.3 -0.963 23.7-119.7-116.1 129.6 -6.1 -6.7 3.5 8 14 A L E +D 19 0B 44 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.456 34.9 165.0 -62.6 127.4 -6.2 -3.2 4.9 9 15 A I E - 0 0 88 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.749 69.4 -17.3 -97.9 -52.1 -3.5 -0.9 3.7 10 16 A K E -D 18 0B 120 8,-2.1 8,-3.2 0, 0.0 2,-0.5 -0.938 52.0-131.0-157.0 135.6 -5.0 2.4 4.8 11 17 A A E -D 17 0B 10 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.761 24.5-177.1 -81.0 126.8 -8.3 4.0 5.8 12 18 A I - 0 0 51 4,-2.0 2,-0.2 -2,-0.5 5,-0.2 0.924 56.1 -40.7 -94.1 -52.2 -8.9 7.2 3.8 13 19 A D S S- 0 0 11 3,-1.7 -1,-0.2 37,-0.1 24,-0.1 -0.622 86.3 -52.1-150.5-149.1 -12.1 8.7 5.1 14 20 A G S S+ 0 0 0 22,-0.4 81,-0.1 -2,-0.2 3,-0.1 0.694 132.8 14.2 -68.0 -25.7 -15.5 7.5 6.2 15 21 A D S S+ 0 0 5 1,-0.1 15,-2.7 21,-0.1 2,-0.3 0.409 112.8 71.9-137.7 9.7 -16.2 5.5 3.1 16 22 A T E + E 0 29B 12 13,-0.2 -4,-2.0 2,-0.0 -3,-1.7 -0.965 50.0 163.2-134.3 143.7 -13.0 5.1 1.1 17 23 A M E -DE 11 28B 0 11,-2.3 11,-2.7 -2,-0.3 2,-0.5 -0.924 35.9-118.0-153.0 163.3 -10.0 2.9 1.8 18 24 A K E +DE 10 27B 82 -8,-3.2 -9,-2.7 -2,-0.3 -8,-2.1 -0.985 38.4 179.0-109.1 127.5 -6.9 1.4 0.3 19 25 A F E -DE 8 26B 0 7,-3.0 7,-2.6 -2,-0.5 2,-0.7 -0.913 35.5-124.7-124.2 151.7 -6.8 -2.4 0.3 20 26 A M E -DE 7 25B 76 -13,-3.2 -13,-2.1 -2,-0.3 2,-0.5 -0.876 40.6-179.5 -87.8 115.2 -4.5 -5.1 -0.9 21 27 A Y E > - E 0 24B 28 3,-3.0 3,-1.3 -2,-0.7 -15,-0.1 -0.982 64.6 -17.7-128.8 122.3 -6.8 -7.0 -3.1 22 28 A K T 3 S- 0 0 154 -2,-0.5 -1,-0.2 -17,-0.3 -16,-0.1 0.905 129.8 -52.5 45.0 45.4 -5.6 -10.2 -5.0 23 29 A G T 3 S+ 0 0 55 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.1 0.591 121.1 96.1 76.0 15.7 -2.1 -8.9 -4.4 24 30 A Q E < S-E 21 0B 137 -3,-1.3 -3,-3.0 -5,-0.0 2,-0.2 -0.997 76.6-114.8-135.8 135.4 -2.5 -5.4 -5.8 25 31 A P E +E 20 0B 83 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.544 44.2 169.8 -67.6 139.4 -3.2 -2.2 -4.0 26 32 A M E -E 19 0B 53 -7,-2.6 -7,-3.0 -2,-0.2 2,-0.4 -0.992 34.6-121.4-152.1 143.2 -6.6 -0.8 -4.9 27 33 A T E -E 18 0B 28 -2,-0.3 53,-3.3 51,-0.3 2,-0.3 -0.752 30.5-164.0 -86.0 137.8 -8.8 2.0 -3.6 28 34 A F E -Ef 17 80B 0 -11,-2.7 -11,-2.3 -2,-0.4 2,-0.4 -0.923 7.3-160.0-121.4 149.2 -12.3 0.8 -2.5 29 35 A R E -Ef 16 81B 17 51,-3.1 53,-1.5 -2,-0.3 -13,-0.2 -0.993 29.4-109.4-126.9 131.9 -15.4 2.9 -1.9 30 36 A L E > - f 0 82B 2 -15,-2.7 3,-0.7 -2,-0.4 53,-0.2 -0.447 35.4-120.6 -64.0 132.6 -18.4 1.6 0.2 31 37 A L T 3 S+ 0 0 10 51,-2.5 53,-0.1 1,-0.2 75,-0.1 -0.383 83.6 5.9 -65.5 145.8 -21.5 0.8 -1.8 32 38 A L T 3 S+ 0 0 2 73,-0.5 72,-1.6 78,-0.1 2,-0.3 0.453 108.8 88.5 67.5 13.5 -24.9 2.6 -1.1 33 39 A V E < -H 103 0C 0 -3,-0.7 2,-0.4 70,-0.3 70,-0.2 -0.892 52.9-157.4-140.5 155.3 -23.6 5.1 1.4 34 40 A D E -H 102 0C 51 68,-1.9 68,-2.1 -2,-0.3 3,-0.1 -0.953 8.8-162.3-134.8 115.5 -22.1 8.6 1.7 35 41 A T - 0 0 1 -2,-0.4 66,-0.2 66,-0.2 12,-0.1 -0.696 44.6 -83.0 -80.7 153.3 -20.1 9.7 4.7 36 42 A P - 0 0 9 0, 0.0 -22,-0.4 0, 0.0 -1,-0.1 -0.262 53.9 -99.4 -65.2 148.0 -19.7 13.4 5.1 37 43 A E + 0 0 60 1,-0.1 7,-2.7 -24,-0.1 10,-0.2 -0.335 45.8 160.9 -73.7 143.3 -16.9 15.0 3.1 38 44 A T S S+ 0 0 33 5,-0.2 -1,-0.1 9,-0.1 9,-0.0 0.356 73.8 41.8-131.1 -8.8 -13.6 15.8 4.6 39 45 A K S S+ 0 0 136 1,-0.0 -2,-0.1 0, 0.0 -26,-0.0 0.826 88.4 78.0-106.7 -59.8 -11.3 16.2 1.5 40 46 A H 0 0 135 1,-0.1 -1,-0.0 0, 0.0 -3,-0.0 -0.304 360.0 360.0 -66.3 135.8 -12.9 18.0 -1.4 41 47 A P 0 0 154 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.668 360.0 360.0 -73.7 360.0 -13.1 21.7 -1.3 42 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 51 A V 0 0 136 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 111.6 -15.4 19.6 5.9 44 52 A E > - 0 0 108 -7,-2.7 3,-2.2 1,-0.1 0, 0.0 -0.509 360.0 -85.4 -88.2 151.1 -19.0 18.6 6.5 45 53 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 -8,-0.1 -0.307 116.9 17.7 -56.8 139.5 -20.4 18.0 10.0 46 54 A Y T 3> S+ 0 0 47 -3,-0.1 4,-2.9 -11,-0.1 -1,-0.3 0.353 92.2 114.6 76.2 2.4 -19.8 14.4 11.1 47 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.6 -10,-0.2 5,-0.2 0.959 80.6 41.2 -65.6 -49.7 -17.1 13.9 8.4 48 56 A P H > S+ 0 0 69 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.894 116.3 51.0 -64.8 -41.2 -14.3 13.5 11.0 49 57 A E H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.919 112.1 45.9 -58.9 -48.5 -16.5 11.3 13.2 50 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.908 113.1 50.7 -60.9 -45.0 -17.5 9.0 10.2 51 59 A S H X S+ 0 0 21 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.920 111.5 47.4 -60.4 -41.5 -13.8 8.8 9.2 52 60 A A H X S+ 0 0 58 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.898 111.8 50.2 -67.1 -40.0 -12.8 7.9 12.7 53 61 A F H X S+ 0 0 61 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.957 112.9 45.7 -64.6 -48.7 -15.5 5.2 13.1 54 62 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.964 113.6 49.7 -58.2 -49.6 -14.6 3.6 9.7 55 63 A K H X S+ 0 0 94 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.918 112.9 46.3 -55.2 -47.8 -10.9 3.7 10.5 56 64 A K H X S+ 0 0 144 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.930 111.9 50.6 -66.2 -42.1 -11.3 2.1 13.9 57 65 A M H < S+ 0 0 37 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.902 117.8 38.1 -65.2 -40.1 -13.7 -0.6 12.7 58 66 A V H >< S+ 0 0 3 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.893 115.2 52.2 -80.8 -35.8 -11.3 -1.7 9.8 59 67 A E H 3< S+ 0 0 97 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.835 111.8 46.9 -67.1 -30.6 -8.0 -1.3 11.7 60 68 A N T 3< S+ 0 0 117 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.493 88.6 111.9 -90.4 -10.3 -9.2 -3.4 14.7 61 69 A A < - 0 0 22 -3,-0.7 3,-0.1 -4,-0.4 -3,-0.0 -0.315 57.2-152.3 -63.9 142.3 -10.6 -6.3 12.6 62 70 A K S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.0 -1,-0.1 0.893 88.5 20.8 -69.3 -42.5 -9.1 -9.8 12.5 63 71 A K - 0 0 140 -56,-0.0 24,-2.8 2,-0.0 2,-0.4 -0.990 66.2-161.1-136.4 126.7 -10.4 -10.3 9.0 64 72 A I E -AB 6 86A 15 -58,-0.7 -58,-1.9 -2,-0.4 2,-0.3 -0.928 14.5-176.4-106.4 135.5 -11.6 -7.9 6.3 65 73 A E E -AB 5 85A 54 20,-2.3 20,-2.8 -2,-0.4 2,-0.4 -0.964 14.2-150.5-129.3 147.1 -13.8 -9.1 3.4 66 74 A V E -AB 4 84A 0 -62,-3.0 -62,-2.5 -2,-0.3 2,-0.5 -0.947 7.3-167.1-110.8 141.5 -15.1 -7.4 0.3 67 75 A E E -AB 3 83A 14 16,-2.1 16,-3.1 -2,-0.4 -64,-0.2 -0.955 10.6-152.3-130.9 108.2 -18.4 -8.4 -1.4 68 76 A F - 0 0 12 -66,-0.5 -66,-0.4 -2,-0.5 14,-0.2 -0.447 16.0-127.1 -71.4 155.5 -19.1 -7.0 -4.8 69 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.049 37.0 -86.0 -86.5-165.3 -22.7 -6.5 -5.9 70 78 A K S S+ 0 0 125 39,-0.5 40,-0.1 -2,-0.1 3,-0.1 0.533 105.8 38.6 -88.2 -8.3 -24.2 -7.9 -9.1 71 79 A G S S+ 0 0 23 1,-0.4 37,-0.1 38,-0.0 -2,-0.0 0.021 107.9 4.4-112.2-139.3 -23.2 -5.1 -11.5 72 80 A Q - 0 0 113 1,-0.2 -1,-0.4 -2,-0.1 -3,-0.3 -0.145 49.0-162.7 -51.7 137.5 -20.1 -2.8 -11.9 73 81 A R S S+ 0 0 118 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.521 73.9 38.2-102.3 -6.2 -17.3 -3.7 -9.6 74 82 A T B S-G 80 0B 67 6,-0.3 6,-0.2 -46,-0.1 2,-0.1 -0.962 73.7-134.4-138.3 156.0 -15.5 -0.4 -10.1 75 83 A D > - 0 0 32 4,-2.0 3,-1.9 -2,-0.3 -2,-0.1 -0.375 45.2 -85.3 -96.3-176.3 -16.6 3.2 -10.4 76 84 A K T 3 S+ 0 0 169 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.702 127.2 58.8 -68.9 -14.1 -15.3 5.8 -13.0 77 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.284 120.0-107.5 -92.4 5.6 -12.3 6.7 -10.6 78 86 A G S < S+ 0 0 44 -3,-1.9 2,-0.3 1,-0.3 -51,-0.3 0.569 72.2 145.7 81.4 6.8 -11.2 3.1 -10.7 79 87 A R - 0 0 62 -53,-0.1 -4,-2.0 1,-0.1 -51,-0.3 -0.628 54.1-115.9 -81.3 138.9 -12.3 2.4 -7.0 80 88 A G E -fG 28 74B 0 -53,-3.3 -51,-3.1 -2,-0.3 2,-0.6 -0.467 25.7-143.4 -67.4 138.0 -13.7 -1.0 -6.2 81 89 A L E +f 29 0B 25 -8,-2.5 -12,-0.5 -53,-0.2 2,-0.3 -0.925 41.6 129.0-108.8 113.6 -17.4 -0.9 -5.2 82 90 A A E -f 30 0B 0 -53,-1.5 -51,-2.5 -2,-0.6 2,-0.5 -0.983 61.9-101.7-151.6 170.2 -18.3 -3.3 -2.5 83 91 A Y E -B 67 0A 0 -16,-3.1 -16,-2.1 -2,-0.3 2,-0.4 -0.830 44.3-149.3 -91.7 126.3 -19.9 -4.1 0.8 84 92 A I E -B 66 0A 0 -2,-0.5 7,-3.3 -18,-0.2 8,-0.6 -0.909 9.5-161.7-105.5 137.0 -17.0 -4.3 3.3 85 93 A Y E -BC 65 90A 15 -20,-2.8 -20,-2.3 -2,-0.4 2,-0.6 -0.956 7.6-162.8-121.8 132.9 -17.1 -6.7 6.3 86 94 A A E > S-BC 64 89A 7 3,-2.9 3,-2.2 -2,-0.4 -22,-0.2 -0.950 85.7 -22.4-112.5 113.8 -14.9 -6.4 9.4 87 95 A D T 3 S- 0 0 64 -24,-2.8 -1,-0.2 -2,-0.6 -23,-0.1 0.912 130.5 -49.0 47.3 43.4 -15.1 -9.7 11.3 88 96 A G T 3 S+ 0 0 48 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.368 114.8 117.3 86.3 -2.4 -18.4 -10.4 9.6 89 97 A K E < -C 86 0A 149 -3,-2.2 -3,-2.9 3,-0.0 2,-0.4 -0.854 68.1-123.6-103.5 126.1 -20.0 -7.0 10.4 90 98 A M E > -C 85 0A 19 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.522 15.2-159.7 -71.8 121.5 -20.9 -4.9 7.4 91 99 A V H > S+ 0 0 0 -7,-3.3 4,-2.5 -2,-0.4 5,-0.3 0.879 90.5 60.0 -67.8 -35.1 -19.1 -1.6 7.7 92 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.923 111.6 40.1 -57.2 -46.3 -21.6 0.1 5.3 93 101 A E H > S+ 0 0 44 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.872 110.4 58.7 -69.5 -39.0 -24.5 -0.8 7.7 94 102 A A H X S+ 0 0 13 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.925 108.4 45.0 -61.0 -41.2 -22.5 0.0 10.8 95 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 6,-0.7 0.918 115.1 47.2 -65.6 -48.6 -21.9 3.6 9.6 96 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.3 -2,-0.2 0.916 107.4 57.2 -58.5 -44.6 -25.6 4.1 8.6 97 105 A R H 3<5S+ 0 0 67 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.5 48.8 -61.1 -24.1 -26.8 2.6 11.9 98 106 A Q T 3<5S- 0 0 76 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.435 115.5-113.8 -92.4 -0.5 -24.9 5.3 13.8 99 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.5 -4,-0.3 -3,-0.2 0.828 87.4 118.8 68.8 30.2 -26.2 8.1 11.7 100 108 A L S - 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