==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-APR-13 4KD4 . 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) . 7569.0 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 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 97 0, 0.0 2,-0.3 0, 0.0 68,-0.1 0.000 360.0 360.0 360.0 155.0 -23.2 -12.6 -3.7 2 8 A H - 0 0 106 66,-0.4 66,-0.4 67,-0.1 2,-0.4 -0.988 360.0-116.8-143.6 156.7 -20.0 -13.8 -1.8 3 9 A K - 0 0 87 -2,-0.3 64,-0.2 64,-0.2 81,-0.1 -0.769 26.8-170.6 -95.7 137.9 -17.4 -12.6 0.5 4 10 A E E -A 66 0A 20 62,-2.6 62,-3.0 -2,-0.4 -2,-0.0 -0.950 27.1-105.2-125.4 146.4 -13.7 -12.5 -0.6 5 11 A P E +A 65 0A 105 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.289 41.3 166.2 -72.2 152.3 -10.7 -11.8 1.6 6 12 A A E -A 64 0A 12 58,-2.1 58,-0.6 15,-0.1 2,-0.4 -0.949 27.3-128.5-156.5 163.3 -8.8 -8.5 1.5 7 13 A T E -B 20 0A 93 13,-1.9 13,-3.3 -2,-0.3 2,-0.3 -0.985 22.8-121.8-120.8 126.7 -6.2 -6.7 3.5 8 14 A L E +B 19 0A 42 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.544 29.6 172.2 -63.3 125.2 -6.4 -3.2 4.7 9 15 A I E - 0 0 84 9,-2.6 2,-0.3 -2,-0.3 10,-0.2 0.806 69.9 -20.3 -89.9 -52.4 -3.6 -1.0 3.5 10 16 A K E -B 18 0A 127 8,-1.9 8,-3.2 0, 0.0 2,-0.5 -0.929 54.8-129.7-159.2 130.8 -4.9 2.4 4.8 11 17 A A E -B 17 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.748 24.3-176.1 -79.3 127.5 -8.3 3.9 5.8 12 18 A I - 0 0 52 4,-1.9 2,-0.2 -2,-0.5 5,-0.2 0.896 56.9 -40.2 -93.1 -50.1 -8.7 7.2 3.9 13 19 A D S S- 0 0 13 3,-1.9 -1,-0.3 37,-0.1 3,-0.2 -0.761 84.2 -53.6-154.9-155.1 -12.0 8.5 5.3 14 20 A G S S+ 0 0 0 22,-0.3 81,-0.1 -2,-0.2 23,-0.1 0.769 131.8 15.2 -63.5 -33.3 -15.5 7.3 6.3 15 21 A D S S+ 0 0 5 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.388 112.8 73.6-130.4 14.3 -16.3 5.5 3.0 16 22 A T E + C 0 29A 14 -3,-0.2 -4,-1.9 13,-0.2 -3,-1.9 -0.976 51.7 172.2-138.5 130.9 -13.0 5.1 1.1 17 23 A L E -BC 11 28A 2 11,-2.4 11,-3.3 -2,-0.4 2,-0.5 -0.943 33.5-127.3-133.8 156.5 -10.1 2.7 1.8 18 24 A K E +BC 10 27A 79 -8,-3.2 -9,-2.6 -2,-0.3 -8,-1.9 -0.951 41.6 179.3-102.8 129.5 -6.9 1.5 0.3 19 25 A V E -BC 8 26A 3 7,-2.9 7,-2.8 -2,-0.5 2,-0.7 -0.964 34.7-129.5-132.6 140.8 -7.1 -2.3 0.2 20 26 A M E -BC 7 25A 68 -13,-3.3 -13,-1.9 -2,-0.3 2,-0.5 -0.871 36.5-179.8 -87.0 115.0 -4.8 -5.2 -1.0 21 27 A Y E > - C 0 24A 31 3,-2.8 3,-1.5 -2,-0.7 -15,-0.1 -0.988 66.8 -17.1-126.8 120.1 -7.2 -7.3 -3.2 22 28 A K T 3 S- 0 0 162 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.899 130.0 -52.3 50.3 45.2 -5.9 -10.4 -4.9 23 29 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.604 119.1 100.8 76.0 10.5 -2.3 -9.1 -4.3 24 30 A Q E < S-C 21 0A 133 -3,-1.5 -3,-2.8 -5,-0.0 2,-0.3 -0.988 73.0-118.2-129.3 136.7 -2.8 -5.7 -5.8 25 31 A P E +C 20 0A 83 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.567 43.4 164.7 -71.3 134.8 -3.3 -2.3 -4.1 26 32 A M E -C 19 0A 52 -7,-2.8 -7,-2.9 -2,-0.3 2,-0.4 -0.971 38.3-118.9-142.5 156.9 -6.6 -0.7 -5.0 27 33 A T E -C 18 0A 29 -2,-0.3 53,-2.9 51,-0.3 2,-0.4 -0.796 32.3-162.3 -95.5 136.6 -8.8 2.0 -3.7 28 34 A F E -Cd 17 80A 0 -11,-3.3 -11,-2.4 -2,-0.4 2,-0.4 -0.959 7.9-157.7-118.6 148.7 -12.3 0.8 -2.6 29 35 A R E -Cd 16 81A 17 51,-3.2 53,-1.6 -2,-0.4 2,-0.2 -0.978 28.0-113.6-122.5 131.3 -15.5 2.9 -2.1 30 36 A L E > - d 0 82A 3 -15,-2.7 3,-0.8 -2,-0.4 53,-0.2 -0.454 34.7-118.9 -66.9 131.2 -18.3 1.6 0.1 31 37 A L T 3 S+ 0 0 10 51,-2.5 53,-0.1 -2,-0.2 -1,-0.1 -0.376 83.5 5.1 -67.1 145.3 -21.5 0.8 -1.8 32 38 A L T 3 S+ 0 0 2 73,-0.5 72,-1.6 1,-0.1 2,-0.3 0.470 108.4 87.6 72.4 8.9 -24.7 2.6 -1.1 33 39 A V E < -H 103 0B 0 -3,-0.8 2,-0.4 70,-0.3 70,-0.2 -0.884 52.2-158.0-137.6 156.9 -23.5 5.1 1.6 34 40 A D E -H 102 0B 54 68,-2.0 68,-2.1 -2,-0.3 3,-0.1 -0.943 8.8-161.6-138.0 116.3 -22.0 8.5 1.7 35 41 A T - 0 0 2 -2,-0.4 66,-0.2 66,-0.2 3,-0.1 -0.713 44.1 -82.2 -84.7 153.8 -20.0 9.7 4.8 36 42 A P - 0 0 12 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.217 54.5 -98.4 -64.4 147.5 -19.6 13.4 5.1 37 43 A E + 0 0 63 1,-0.1 7,-3.1 -24,-0.1 10,-0.2 -0.359 47.1 160.3 -67.6 141.0 -16.8 15.0 3.1 38 44 A T S S+ 0 0 25 5,-0.2 -1,-0.1 9,-0.1 8,-0.0 0.438 73.7 44.2-129.9 -7.6 -13.5 15.7 4.7 39 45 A K S S+ 0 0 139 1,-0.0 -2,-0.1 4,-0.0 -26,-0.0 0.865 87.7 73.3-100.8 -70.3 -11.4 15.9 1.5 40 46 A H 0 0 143 1,-0.1 -1,-0.0 0, 0.0 -3,-0.0 -0.271 360.0 360.0 -62.6 133.5 -12.8 18.0 -1.4 41 47 A P 0 0 159 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.626 360.0 360.0 -70.5 360.0 -12.9 21.7 -1.2 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 0 138 0, 0.0 -5,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 109.6 -14.9 19.6 6.0 44 52 A E > - 0 0 107 -7,-3.1 3,-2.4 1,-0.1 0, 0.0 -0.468 360.0 -85.2 -93.0 150.0 -18.5 18.6 6.7 45 53 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 -8,-0.1 -0.325 115.3 13.9 -56.2 139.9 -20.0 17.9 10.2 46 54 A Y T 3> S+ 0 0 33 -3,-0.1 4,-3.2 -11,-0.1 -1,-0.3 0.317 93.0 113.1 72.7 -6.3 -19.4 14.3 11.3 47 55 A G H <> S+ 0 0 0 -3,-2.4 4,-2.8 -10,-0.2 5,-0.2 0.974 80.1 44.9 -58.3 -49.8 -16.8 13.7 8.6 48 56 A P H > S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.945 115.4 48.9 -61.0 -44.4 -14.0 13.4 11.1 49 57 A E H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.896 110.9 49.4 -56.2 -46.6 -16.2 11.1 13.3 50 58 A A H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 5,-0.2 0.919 111.8 49.8 -61.7 -41.3 -17.2 8.9 10.3 51 59 A S H X S+ 0 0 24 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.907 111.6 47.9 -62.9 -41.8 -13.5 8.6 9.3 52 60 A A H X S+ 0 0 58 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.894 110.1 52.7 -67.6 -36.9 -12.5 7.6 12.8 53 61 A F H X S+ 0 0 59 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.973 113.3 42.7 -63.6 -47.3 -15.3 5.1 13.1 54 62 A T H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.4 0.939 114.2 51.4 -66.4 -43.9 -14.3 3.3 9.8 55 63 A K H X S+ 0 0 94 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.939 114.3 43.1 -54.3 -48.3 -10.6 3.5 10.6 56 64 A K H X S+ 0 0 144 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.918 113.6 50.7 -68.4 -45.0 -11.1 2.0 14.0 57 65 A M H < S+ 0 0 39 -4,-2.8 4,-0.4 -5,-0.2 -1,-0.2 0.906 119.1 35.3 -61.9 -43.3 -13.6 -0.7 12.9 58 66 A I H >< S+ 0 0 4 -4,-2.6 3,-0.7 -5,-0.2 -2,-0.2 0.896 115.2 53.2 -86.4 -33.3 -11.4 -2.0 10.1 59 67 A E H 3< S+ 0 0 98 -4,-2.8 -2,-0.2 -5,-0.4 -3,-0.2 0.876 111.3 47.9 -63.9 -33.8 -8.0 -1.6 11.7 60 68 A N T 3< S+ 0 0 119 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.580 90.3 112.2 -88.2 -5.5 -9.1 -3.5 14.8 61 69 A A < - 0 0 22 -3,-0.7 3,-0.1 -4,-0.4 -3,-0.0 -0.291 58.7-150.8 -64.5 144.3 -10.6 -6.4 12.7 62 70 A K S S+ 0 0 185 1,-0.3 2,-0.4 -2,-0.0 -1,-0.1 0.906 87.7 19.3 -69.3 -43.8 -9.2 -9.9 12.6 63 71 A K - 0 0 141 -56,-0.0 24,-3.1 -58,-0.0 2,-0.4 -0.990 67.7-160.4-137.2 128.4 -10.4 -10.5 9.1 64 72 A V E -AE 6 86A 22 -58,-0.6 -58,-2.1 -2,-0.4 2,-0.3 -0.927 13.8-176.6-112.2 134.7 -11.5 -8.1 6.4 65 73 A E E -AE 5 85A 47 20,-2.3 20,-2.9 -2,-0.4 2,-0.4 -0.959 15.4-150.6-129.4 148.5 -13.8 -9.1 3.4 66 74 A V E -AE 4 84A 0 -62,-3.0 -62,-2.6 -2,-0.3 2,-0.5 -0.947 8.2-166.0-114.4 140.2 -15.1 -7.4 0.4 67 75 A E E - E 0 83A 11 16,-2.2 16,-2.8 -2,-0.4 -64,-0.2 -0.951 10.0-151.6-127.7 109.7 -18.4 -8.4 -1.3 68 76 A F E - E 0 82A 12 -2,-0.5 -66,-0.4 -66,-0.4 14,-0.2 -0.431 15.7-128.9 -70.0 156.0 -19.1 -7.1 -4.7 69 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.119 37.2 -84.2 -87.0-160.2 -22.7 -6.6 -5.8 70 78 A K S S+ 0 0 127 39,-0.4 40,-0.1 -2,-0.1 3,-0.1 0.519 105.7 37.1 -89.3 -14.3 -24.3 -7.9 -9.0 71 79 A G S S+ 0 0 23 1,-0.3 37,-0.1 38,-0.0 -2,-0.0 0.029 107.2 4.2-110.4-137.8 -23.2 -5.1 -11.4 72 80 A Q - 0 0 114 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.3 -0.157 48.6-160.9 -54.6 139.0 -20.2 -2.9 -11.9 73 81 A R S S+ 0 0 116 -3,-0.1 8,-2.3 -5,-0.1 2,-0.3 0.527 73.4 38.5-100.9 -4.3 -17.3 -3.7 -9.6 74 82 A T B S-F 80 0A 71 6,-0.3 6,-0.2 -46,-0.1 2,-0.1 -0.965 72.9-132.6-141.4 156.0 -15.6 -0.4 -10.1 75 83 A D > - 0 0 32 4,-1.9 3,-2.2 -2,-0.3 -2,-0.1 -0.410 43.7 -87.7 -91.8-176.8 -16.6 3.2 -10.5 76 84 A K T 3 S+ 0 0 182 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.719 127.2 57.6 -69.4 -15.6 -15.4 5.8 -13.0 77 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.308 120.4-107.4 -94.9 11.6 -12.5 6.6 -10.7 78 86 A G S < S+ 0 0 46 -3,-2.2 2,-0.4 1,-0.3 -51,-0.3 0.636 72.1 145.3 77.5 4.2 -11.2 3.0 -10.8 79 87 A R - 0 0 63 -53,-0.1 -4,-1.9 -51,-0.1 -1,-0.3 -0.689 54.7-115.1 -81.1 138.5 -12.3 2.4 -7.2 80 88 A G E -dF 28 74A 0 -53,-2.9 -51,-3.2 -2,-0.4 2,-0.6 -0.391 26.1-142.9 -61.3 143.1 -13.7 -1.1 -6.2 81 89 A L E +d 29 0A 25 -8,-2.3 -12,-0.5 -53,-0.2 2,-0.3 -0.946 41.7 133.0-113.3 113.2 -17.3 -0.9 -5.3 82 90 A A E -dE 30 68A 0 -53,-1.6 -51,-2.5 -2,-0.6 2,-0.5 -0.970 60.8-107.9-152.3 166.0 -18.2 -3.3 -2.4 83 91 A Y E - E 0 67A 0 -16,-2.8 -16,-2.2 -2,-0.3 2,-0.5 -0.870 45.2-151.4 -87.6 131.8 -19.8 -4.1 0.9 84 92 A I E - E 0 66A 0 -2,-0.5 7,-3.4 -18,-0.2 8,-0.5 -0.902 8.3-158.2-118.4 135.3 -16.9 -4.4 3.3 85 93 A Y E -GE 90 65A 15 -20,-2.9 -20,-2.3 -2,-0.5 2,-0.6 -0.922 10.4-163.5-117.4 135.1 -17.0 -6.6 6.4 86 94 A A E > S-GE 89 64A 5 3,-2.8 3,-2.3 -2,-0.4 -22,-0.2 -0.973 87.1 -22.2-113.9 111.5 -14.8 -6.4 9.5 87 95 A D T 3 S- 0 0 67 -24,-3.1 -1,-0.2 -2,-0.6 -23,-0.1 0.889 129.9 -49.5 47.2 43.9 -15.1 -9.7 11.4 88 96 A G T 3 S+ 0 0 48 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.405 114.9 116.1 86.1 -5.3 -18.3 -10.4 9.7 89 97 A K E < -G 86 0A 150 -3,-2.3 -3,-2.8 3,-0.0 2,-0.5 -0.868 67.6-124.0-104.4 125.7 -19.9 -7.0 10.4 90 98 A M E > -G 85 0A 17 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.544 13.1-157.7 -71.0 125.9 -20.7 -4.8 7.4 91 99 A V H > S+ 0 0 0 -7,-3.4 4,-2.5 -2,-0.5 5,-0.3 0.910 91.8 59.7 -69.0 -36.9 -19.0 -1.4 7.7 92 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.931 111.4 40.1 -58.0 -45.8 -21.5 0.2 5.3 93 101 A E H > S+ 0 0 44 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.871 111.0 58.0 -68.9 -39.9 -24.4 -0.8 7.7 94 102 A A H X S+ 0 0 14 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.908 107.6 46.3 -59.6 -44.8 -22.5 0.1 10.8 95 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-0.7 0.930 114.1 48.2 -60.0 -48.0 -21.9 3.7 9.7 96 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.6 -5,-0.3 -2,-0.2 0.915 107.6 55.3 -59.4 -45.2 -25.6 4.1 8.7 97 105 A R H 3<5S+ 0 0 67 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 109.0 48.7 -61.1 -25.4 -26.8 2.6 12.0 98 106 A Q T 3<5S- 0 0 75 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.411 114.8-114.2 -90.2 -1.4 -24.8 5.3 13.8 99 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.6 -4,-0.3 -3,-0.2 0.841 87.0 118.1 64.1 33.3 -26.0 8.2 11.7 100 108 A L S - 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