==== 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 4K5X . 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) . 7506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 67.4 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 . 32 24.2 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 . 9 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.3 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 2 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 98 0, 0.0 2,-0.3 0, 0.0 68,-0.1 0.000 360.0 360.0 360.0 157.4 -12.4 -23.2 3.5 2 8 A H - 0 0 111 66,-0.4 66,-0.5 67,-0.1 2,-0.4 -0.990 360.0-114.1-146.9 159.3 -13.7 -20.2 1.6 3 9 A K E -A 67 0A 84 -2,-0.3 64,-0.2 64,-0.2 81,-0.1 -0.722 29.0-171.1 -92.2 136.5 -12.4 -17.5 -0.7 4 10 A E E -A 66 0A 22 62,-2.5 62,-2.8 -2,-0.4 -2,-0.0 -0.944 27.2-102.4-122.9 148.1 -12.5 -13.9 0.4 5 11 A P E +A 65 0A 104 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.293 40.8 167.1 -69.5 151.0 -11.8 -10.8 -1.7 6 12 A A E -A 64 0A 12 58,-1.9 58,-0.7 15,-0.1 2,-0.4 -0.964 27.6-126.7-149.9 168.0 -8.6 -8.8 -1.6 7 13 A T E -B 20 0A 92 13,-2.1 13,-3.3 -2,-0.3 2,-0.3 -0.965 24.6-119.3-120.0 134.2 -6.9 -6.1 -3.6 8 14 A L E +B 19 0A 42 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.531 33.7 169.3 -68.6 126.4 -3.4 -6.3 -5.0 9 15 A I E - 0 0 82 9,-2.7 2,-0.3 -2,-0.3 10,-0.2 0.756 67.5 -18.4 -96.0 -49.8 -1.2 -3.6 -3.6 10 16 A K E -B 18 0A 128 8,-1.9 8,-3.2 0, 0.0 -1,-0.3 -0.932 54.7-127.3-161.8 127.6 2.2 -4.8 -4.9 11 17 A A E +B 17 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.610 27.7 178.7 -66.5 135.9 3.8 -8.0 -6.1 12 18 A I - 0 0 64 4,-1.5 2,-0.2 1,-0.4 5,-0.2 0.793 54.0 -42.0-105.7 -58.7 7.0 -8.6 -4.0 13 19 A D S S- 0 0 9 3,-2.0 -1,-0.4 37,-0.1 3,-0.4 -0.702 80.8 -56.4-153.2-160.2 8.4 -11.9 -5.3 14 20 A G S S+ 0 0 0 22,-0.4 81,-0.1 1,-0.2 23,-0.1 0.771 131.2 16.5 -61.7 -35.0 7.4 -15.4 -6.4 15 21 A D S S+ 0 0 6 20,-0.1 15,-2.8 21,-0.1 2,-0.3 0.361 116.7 63.4-128.3 15.5 5.6 -16.3 -3.2 16 22 A T E + C 0 29A 14 -3,-0.4 -3,-2.0 13,-0.2 -4,-1.5 -0.983 51.1 159.8-144.3 138.3 5.0 -13.1 -1.3 17 23 A M E -BC 11 28A 0 11,-2.1 11,-3.4 -2,-0.3 2,-0.6 -0.980 39.2-109.9-153.8 159.8 2.9 -10.0 -2.0 18 24 A K E +BC 10 27A 81 -8,-3.2 -9,-2.7 -2,-0.3 -8,-1.9 -0.872 41.4 176.0 -92.9 126.2 1.3 -7.0 -0.4 19 25 A L E -BC 8 26A 0 7,-2.9 7,-2.3 -2,-0.6 2,-0.6 -0.945 34.4-124.6-127.6 149.8 -2.6 -7.1 -0.5 20 26 A M E -BC 7 25A 69 -13,-3.3 -13,-2.1 -2,-0.3 2,-0.5 -0.849 36.6-178.9 -88.2 118.8 -5.3 -4.9 0.9 21 27 A Y E > - C 0 24A 29 3,-2.7 3,-1.3 -2,-0.6 -15,-0.1 -0.984 66.2 -16.5-129.2 122.3 -7.4 -7.3 3.1 22 28 A K T 3 S- 0 0 164 -2,-0.5 -1,-0.1 -17,-0.4 -16,-0.1 0.880 130.4 -51.5 47.0 44.7 -10.5 -6.0 4.9 23 29 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.1 0.593 119.4 101.8 78.9 10.6 -9.3 -2.5 4.4 24 30 A Q E < S-C 21 0A 134 -3,-1.3 -3,-2.7 -5,-0.0 2,-0.2 -0.995 71.5-121.1-133.7 131.3 -5.8 -3.0 5.8 25 31 A P E +C 20 0A 86 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.474 42.9 166.3 -64.3 136.1 -2.4 -3.4 3.9 26 32 A M E -C 19 0A 43 -7,-2.3 -7,-2.9 -2,-0.2 2,-0.4 -0.993 39.0-117.3-147.2 154.2 -0.8 -6.7 4.8 27 33 A T E -C 18 0A 32 -2,-0.3 53,-3.2 51,-0.3 2,-0.4 -0.752 32.8-161.9 -84.8 133.4 2.0 -8.9 3.5 28 34 A F E -Cd 17 80A 0 -11,-3.4 -11,-2.1 -2,-0.4 2,-0.4 -0.947 6.1-162.0-116.2 143.6 0.8 -12.3 2.4 29 35 A R E -Cd 16 81A 16 51,-3.3 53,-1.5 -2,-0.4 2,-0.2 -0.978 28.5-110.9-121.9 131.9 2.9 -15.4 1.9 30 36 A F E > - d 0 82A 2 -15,-2.8 3,-0.8 -2,-0.4 53,-0.2 -0.450 31.9-119.9 -64.4 134.3 1.7 -18.3 -0.1 31 37 A L T 3 S+ 0 0 10 51,-2.7 53,-0.1 -2,-0.2 -1,-0.1 -0.364 84.1 4.2 -64.1 142.2 0.8 -21.5 1.8 32 38 A L T 3 S+ 0 0 2 73,-0.5 72,-1.6 78,-0.1 2,-0.3 0.445 109.0 84.9 74.2 5.9 2.7 -24.8 1.0 33 39 A V E < -H 103 0B 0 -3,-0.8 2,-0.4 70,-0.3 70,-0.2 -0.932 52.1-158.1-137.0 159.2 5.2 -23.5 -1.6 34 40 A D E -H 102 0B 53 68,-2.2 68,-2.2 -2,-0.3 3,-0.0 -0.968 9.3-161.3-138.0 121.5 8.6 -21.9 -1.8 35 41 A T - 0 0 2 -2,-0.4 66,-0.2 66,-0.2 -20,-0.1 -0.739 38.7 -88.8 -90.0 154.3 9.8 -20.0 -4.8 36 42 A P - 0 0 13 0, 0.0 -22,-0.4 0, 0.0 2,-0.1 -0.256 50.0 -99.9 -63.2 149.1 13.5 -19.3 -5.4 37 43 A E - 0 0 56 1,-0.1 7,-3.1 -24,-0.1 10,-0.3 -0.434 31.1-177.1 -76.2 140.4 15.0 -16.2 -3.8 38 44 A T S S+ 0 0 40 5,-0.2 -1,-0.1 9,-0.2 8,-0.0 0.622 89.0 31.8 -99.9 -23.7 15.6 -13.0 -5.9 39 45 A K S S+ 0 0 127 4,-0.1 -1,-0.1 8,-0.0 -2,-0.0 -0.505 78.7 174.7-140.5 44.6 17.2 -11.0 -3.1 40 46 A H 0 0 120 -3,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.448 360.0 360.0 -63.0 135.5 18.9 -13.6 -0.9 41 47 A P 0 0 153 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.988 360.0 360.0 -63.7 360.0 20.9 -11.9 1.8 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 0 126 0, 0.0 2,-0.2 0, 0.0 -5,-0.2 0.000 360.0 360.0 360.0 121.7 19.5 -14.4 -7.3 44 52 A E > - 0 0 93 -7,-3.1 3,-1.8 1,-0.1 2,-0.2 -0.651 360.0 -79.6 -83.6 160.5 18.8 -18.1 -6.9 45 53 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 -8,-0.1 -0.474 117.9 10.4 -69.5 132.5 18.1 -19.9 -10.3 46 54 A Y T 3> S+ 0 0 33 -2,-0.2 4,-3.2 -11,-0.1 -1,-0.3 0.381 95.5 114.3 79.6 -3.1 14.4 -19.3 -11.5 47 55 A G H <> S+ 0 0 0 -3,-1.8 4,-3.0 -10,-0.3 5,-0.2 0.986 80.5 42.6 -52.8 -58.6 14.0 -16.7 -8.7 48 56 A P H > S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.875 115.8 50.3 -55.8 -44.6 13.6 -14.0 -11.3 49 57 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.902 111.3 47.0 -61.2 -45.7 11.3 -16.3 -13.4 50 58 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.940 112.7 50.5 -63.1 -44.8 9.1 -17.2 -10.4 51 59 A S H X S+ 0 0 19 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.918 112.3 46.6 -57.5 -43.4 8.8 -13.5 -9.4 52 60 A A H X S+ 0 0 58 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.898 110.7 51.7 -69.4 -37.6 7.8 -12.5 -12.9 53 61 A F H X S+ 0 0 60 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.954 114.0 43.2 -61.4 -53.4 5.3 -15.3 -13.3 54 62 A T H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.946 113.1 51.4 -57.8 -47.1 3.5 -14.3 -10.0 55 63 A K H X S+ 0 0 96 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.942 113.8 45.1 -56.8 -46.7 3.7 -10.6 -10.7 56 64 A K H X S+ 0 0 147 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.942 112.1 51.2 -65.3 -43.1 2.1 -11.1 -14.2 57 65 A M H < S+ 0 0 39 -4,-2.7 4,-0.5 -5,-0.2 -1,-0.2 0.919 119.0 35.3 -63.4 -44.8 -0.6 -13.5 -12.9 58 66 A V H < S+ 0 0 3 -4,-2.6 3,-0.4 -5,-0.2 -1,-0.2 0.884 116.3 52.8 -80.0 -31.5 -1.8 -11.2 -10.1 59 67 A E H < S+ 0 0 94 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.901 112.5 46.1 -71.5 -33.6 -1.3 -7.8 -11.9 60 68 A N S < S+ 0 0 122 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.568 91.7 111.0 -83.0 -13.9 -3.3 -9.0 -14.9 61 69 A A - 0 0 22 -4,-0.5 3,-0.2 -3,-0.4 -3,-0.0 -0.332 58.2-152.2 -64.3 143.9 -6.1 -10.5 -12.8 62 70 A K S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.0 -1,-0.1 0.836 87.0 19.9 -68.1 -44.1 -9.7 -9.0 -12.7 63 71 A K - 0 0 136 -56,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.995 64.8-159.4-140.2 128.6 -10.2 -10.3 -9.2 64 72 A I E -AE 6 86A 14 -58,-0.7 -58,-1.9 -2,-0.4 2,-0.3 -0.867 14.6-176.4-107.4 138.5 -7.9 -11.5 -6.4 65 73 A E E -AE 5 85A 49 20,-2.2 20,-2.8 -2,-0.4 2,-0.4 -0.974 14.1-150.2-130.4 148.1 -9.0 -13.8 -3.6 66 74 A V E -AE 4 84A 0 -62,-2.8 -62,-2.5 -2,-0.3 2,-0.5 -0.943 6.6-164.9-114.9 141.5 -7.4 -15.2 -0.5 67 75 A E E -AE 3 83A 11 16,-2.3 16,-2.7 -2,-0.4 -64,-0.2 -0.957 9.6-153.7-128.1 110.8 -8.3 -18.5 1.0 68 76 A F E - E 0 82A 12 -66,-0.5 -66,-0.4 -2,-0.5 14,-0.2 -0.467 16.1-129.1 -75.8 155.2 -7.1 -19.2 4.6 69 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.035 36.2 -87.5 -90.2-167.0 -6.6 -22.8 5.7 70 78 A K S S+ 0 0 132 39,-0.4 40,-0.1 -2,-0.1 3,-0.1 0.555 105.5 43.5 -92.4 -3.6 -8.0 -24.2 8.8 71 79 A G S S- 0 0 23 1,-0.3 37,-0.0 38,-0.0 -2,-0.0 0.048 107.3 -0.5-107.0-138.8 -5.1 -23.3 11.2 72 80 A Q - 0 0 114 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.3 -0.211 48.3-161.4 -58.3 141.1 -2.9 -20.2 11.8 73 81 A R S S+ 0 0 117 -3,-0.1 8,-2.6 -5,-0.1 2,-0.3 0.499 74.0 40.4-106.1 -7.4 -3.7 -17.3 9.5 74 82 A T B S-F 80 0A 75 6,-0.3 6,-0.2 -46,-0.1 2,-0.2 -0.942 73.0-134.5-136.3 156.6 -0.4 -15.5 10.0 75 83 A D > - 0 0 31 4,-1.8 3,-1.9 -2,-0.3 -2,-0.1 -0.396 44.8 -86.4 -95.9 179.9 3.2 -16.6 10.4 76 84 A K T 3 S+ 0 0 180 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.718 127.8 58.6 -62.7 -17.7 5.7 -15.4 13.0 77 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.271 119.6-108.2 -91.1 4.6 6.5 -12.4 10.6 78 86 A G S < S+ 0 0 49 -3,-1.9 2,-0.3 1,-0.3 -51,-0.3 0.613 71.7 146.9 79.3 7.5 3.0 -11.2 10.7 79 87 A R - 0 0 63 -53,-0.1 -4,-1.8 1,-0.1 -1,-0.3 -0.610 54.5-114.0 -77.9 135.3 2.4 -12.3 7.1 80 88 A G E -dF 28 74A 0 -53,-3.2 -51,-3.3 -2,-0.3 2,-0.6 -0.459 26.8-144.7 -57.3 137.1 -1.1 -13.6 6.1 81 89 A L E +d 29 0A 26 -8,-2.6 -12,-0.5 -53,-0.2 2,-0.3 -0.951 43.1 127.2-112.3 110.3 -0.8 -17.4 5.2 82 90 A A E -dE 30 68A 0 -53,-1.5 -51,-2.7 -2,-0.6 2,-0.5 -0.959 63.7-102.0-153.9 169.2 -3.2 -18.2 2.4 83 91 A Y E - E 0 67A 0 -16,-2.7 -16,-2.3 -2,-0.3 2,-0.4 -0.898 44.5-148.0 -94.7 126.1 -3.9 -19.8 -1.1 84 92 A I E - E 0 66A 0 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.900 10.4-160.8-103.8 134.8 -4.1 -16.8 -3.4 85 93 A Y E -GE 90 65A 15 -20,-2.8 -20,-2.2 -2,-0.4 2,-0.5 -0.935 8.8-162.8-120.6 135.2 -6.5 -17.0 -6.5 86 94 A A E > S-GE 89 64A 6 3,-2.7 3,-1.9 -2,-0.4 -22,-0.2 -0.982 86.3 -21.2-117.2 112.3 -6.2 -14.8 -9.6 87 95 A D T 3 S- 0 0 70 -24,-2.9 -1,-0.2 -2,-0.5 -23,-0.1 0.902 130.3 -50.3 48.4 43.0 -9.5 -14.9 -11.5 88 96 A G T 3 S+ 0 0 45 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.439 114.9 115.0 81.1 2.9 -10.3 -18.2 -9.8 89 97 A K E < -G 86 0A 153 -3,-1.9 -3,-2.7 4,-0.0 2,-0.5 -0.901 69.4-122.9-109.4 126.4 -6.9 -19.9 -10.5 90 98 A M E > -G 85 0A 15 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.501 14.7-157.9 -71.0 122.4 -4.7 -20.7 -7.6 91 99 A V H > S+ 0 0 0 -7,-3.0 4,-2.4 -2,-0.5 5,-0.2 0.889 91.2 59.1 -65.9 -35.4 -1.4 -19.0 -7.9 92 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.933 111.7 41.6 -56.9 -45.4 0.3 -21.4 -5.5 93 101 A E H > S+ 0 0 44 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.899 110.0 58.0 -69.4 -38.1 -0.7 -24.3 -7.8 94 102 A A H X S+ 0 0 14 -4,-2.3 4,-1.2 1,-0.3 -1,-0.2 0.905 107.8 46.1 -60.9 -45.6 0.1 -22.4 -11.0 95 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 6,-0.8 0.898 113.9 47.8 -59.0 -45.6 3.8 -21.9 -9.9 96 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-2.1 -5,-0.2 -2,-0.2 0.943 107.0 56.8 -66.2 -41.9 4.2 -25.5 -8.8 97 105 A R H 3<5S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.776 109.7 46.9 -57.9 -31.6 2.7 -26.7 -12.1 98 106 A Q T 3<5S- 0 0 78 -4,-1.2 -1,-0.3 -5,-0.2 33,-0.2 0.334 115.0-114.3 -85.0 -6.7 5.4 -24.7 -14.0 99 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.7 2,-0.2 -3,-0.2 0.848 86.7 118.1 68.2 36.1 8.3 -26.0 -11.8 100 108 A L S - 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