==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-APR-13 4K8J . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.M.SANDERS,E.GILL,J.R.ROESER,K.JANOWSKA,J.SAKON,W.E.STITES . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 65.9 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 . 35 25.9 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 . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.0 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 1 0 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 0.000 360.0 360.0 360.0 149.9 37.0 -0.7 5.6 2 8 A H - 0 0 140 68,-0.2 68,-0.5 69,-0.1 2,-0.4 -0.934 360.0-129.0-133.9 137.5 38.3 -4.0 4.2 3 9 A K - 0 0 83 -2,-0.3 66,-0.2 66,-0.1 83,-0.0 -0.799 24.4-169.4 -90.7 128.4 36.9 -6.6 1.6 4 10 A E E -A 68 0A 33 64,-2.8 64,-2.8 -2,-0.4 2,-0.1 -0.911 24.7-104.4-114.1 155.5 36.8 -10.3 2.6 5 11 A P E +A 67 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.328 39.3 168.9 -79.0 153.9 36.0 -13.3 0.4 6 12 A A E -A 66 0A 12 60,-1.9 60,-0.6 15,-0.1 2,-0.4 -0.958 23.5-134.6-155.5 163.5 32.7 -15.2 0.4 7 13 A T E -B 20 0A 99 13,-1.9 13,-3.0 -2,-0.3 2,-0.2 -0.956 27.1-109.2-125.9 141.6 31.0 -17.8 -1.7 8 14 A L E +B 19 0A 48 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.502 36.0 164.8 -68.5 144.4 27.4 -17.9 -2.9 9 15 A I E S- 0 0 81 9,-2.5 2,-0.3 1,-0.2 10,-0.2 0.690 71.6 -22.7-116.7 -59.7 25.1 -20.5 -1.4 10 16 A K E -B 18 0A 121 8,-2.2 8,-3.7 0, 0.0 2,-0.4 -0.945 49.3-130.8-160.7 142.9 21.8 -18.9 -2.6 11 17 A A E -B 17 0A 12 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.729 24.4-175.4 -93.4 128.9 20.3 -15.6 -3.7 12 18 A I E - 0 0 42 4,-2.3 2,-0.3 -2,-0.4 5,-0.2 0.836 56.0 -43.1 -97.6 -45.7 17.1 -15.1 -1.7 13 19 A D E > S-B 16 0A 7 3,-2.0 3,-0.5 40,-0.1 -1,-0.4 -0.867 83.5 -51.9-160.0-162.1 15.7 -12.0 -3.2 14 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.757 132.8 15.3 -55.5 -33.0 16.8 -8.6 -4.4 15 21 A D T 3 S+ 0 0 2 20,-0.1 15,-2.7 1,-0.1 2,-0.4 0.277 113.1 74.2-130.3 18.2 18.6 -7.6 -1.1 16 22 A T E < +BC 13 29A 14 -3,-0.5 -4,-2.3 13,-0.2 -3,-2.0 -0.993 51.6 168.8-137.7 130.2 19.1 -10.8 0.8 17 23 A L E -BC 11 28A 0 11,-2.3 11,-3.5 -2,-0.4 2,-0.5 -0.989 30.7-132.5-141.6 149.7 21.6 -13.5 0.0 18 24 A K E +BC 10 27A 87 -8,-3.7 -9,-2.5 -2,-0.3 -8,-2.2 -0.931 36.4 170.9-102.8 123.3 23.0 -16.6 1.7 19 25 A L E -BC 8 26A 0 7,-2.5 7,-2.8 -2,-0.5 2,-0.7 -0.906 38.9-118.8-125.4 165.4 26.8 -16.8 1.5 20 26 A M E +BC 7 25A 67 -13,-3.0 -13,-1.9 -2,-0.3 2,-0.4 -0.895 40.5 177.3-105.6 124.7 29.5 -19.0 3.0 21 27 A Y E > - C 0 24A 27 3,-2.4 3,-1.8 -2,-0.7 -15,-0.1 -0.998 63.9 -13.1-137.0 124.1 31.6 -16.6 5.0 22 28 A K T 3 S- 0 0 151 -17,-0.5 -1,-0.1 -2,-0.4 -16,-0.1 0.892 130.6 -50.9 49.5 46.3 34.6 -17.7 7.1 23 29 A G T 3 S+ 0 0 54 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.1 0.363 119.9 92.8 80.1 -6.8 33.5 -21.3 6.8 24 30 A Q E < S-C 21 0A 129 -3,-1.8 -3,-2.4 -5,-0.0 2,-0.2 -0.919 78.0-110.9-121.3 145.6 29.8 -21.0 7.9 25 31 A P E +C 20 0A 84 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.554 46.6 173.4 -65.4 130.7 26.5 -20.4 6.0 26 32 A M E -C 19 0A 62 -7,-2.8 -7,-2.5 -2,-0.2 2,-0.4 -0.995 30.6-127.5-137.2 145.9 25.3 -16.9 6.9 27 33 A T E -C 18 0A 39 -2,-0.3 55,-2.8 53,-0.3 2,-0.4 -0.729 27.2-159.3 -87.5 135.7 22.4 -14.7 5.6 28 34 A F E -Cd 17 82A 0 -11,-3.5 -11,-2.3 -2,-0.4 2,-0.5 -0.947 10.2-157.8-116.6 143.7 23.4 -11.2 4.4 29 35 A R E -Cd 16 83A 36 53,-3.5 55,-1.6 -2,-0.4 2,-0.4 -0.959 30.7-115.3-116.0 127.7 21.2 -8.2 4.0 30 36 A L E > - d 0 84A 1 -15,-2.7 3,-1.0 -2,-0.5 55,-0.2 -0.531 34.4-119.9 -67.7 124.0 22.5 -5.5 1.6 31 37 A L T 3 S+ 0 0 11 53,-2.4 55,-0.1 -2,-0.4 -1,-0.1 -0.269 83.0 3.5 -62.8 142.3 23.4 -2.2 3.6 32 38 A L T 3 S+ 0 0 12 75,-0.2 74,-1.8 80,-0.1 2,-0.4 0.363 105.9 98.6 65.0 9.3 21.6 1.0 2.7 33 39 A V E < -H 105 0B 0 -3,-1.0 2,-0.4 72,-0.3 72,-0.2 -0.907 50.3-161.3-127.5 146.3 19.2 -0.3 0.1 34 40 A D E -H 104 0B 70 70,-2.5 70,-2.4 -2,-0.4 -3,-0.0 -0.983 12.8-170.9-121.8 126.8 15.5 -1.4 -0.1 35 41 A T - 0 0 7 -2,-0.4 68,-0.2 68,-0.2 2,-0.1 -0.709 37.2 -94.6-110.6 144.7 14.5 -3.5 -3.0 36 42 A P - 0 0 14 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.459 50.7-115.2 -64.8 143.6 10.8 -4.3 -3.7 37 43 A E - 0 0 69 1,-0.1 9,-2.8 -2,-0.1 12,-0.2 -0.509 29.5-175.2 -90.2 150.1 9.9 -7.6 -2.1 38 44 A T S S+ 0 0 35 7,-0.2 -1,-0.1 11,-0.2 -25,-0.1 0.688 91.8 40.5 -97.6 -38.6 8.8 -10.9 -3.6 39 45 A K S S+ 0 0 159 10,-0.1 6,-0.1 6,-0.1 5,-0.1 0.223 78.2 143.0-102.6 9.7 8.0 -12.9 -0.4 40 46 A H - 0 0 56 4,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.370 44.6-148.1 -51.5 116.6 6.3 -9.9 1.4 41 47 A P S S+ 0 0 118 0, 0.0 2,-0.8 0, 0.0 3,-0.5 0.854 84.2 64.4 -63.4 -38.9 3.4 -11.4 3.5 42 48 A K S S- 0 0 155 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 -0.772 124.1 -5.4 -91.3 105.4 1.2 -8.3 3.2 43 49 A K S S- 0 0 194 -2,-0.8 -1,-0.2 3,-0.0 -3,-0.1 0.930 94.1-121.8 75.0 55.7 0.3 -7.8 -0.5 44 50 A G S S+ 0 0 43 -3,-0.5 -4,-0.4 -5,-0.1 2,-0.3 0.295 75.4 9.8 17.7-124.6 2.3 -10.5 -2.3 45 51 A V S S- 0 0 88 -6,-0.1 -7,-0.2 -4,-0.1 2,-0.2 -0.648 73.9-143.1 -80.0 132.5 4.9 -9.6 -4.9 46 52 A E > - 0 0 76 -9,-2.8 3,-1.6 -2,-0.3 2,-0.3 -0.587 34.1 -83.4 -92.1 165.3 5.6 -5.9 -5.3 47 53 A K T 3 S+ 0 0 148 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.0 -0.504 118.6 14.3 -70.5 128.1 6.2 -4.2 -8.6 48 54 A Y T 3> S+ 0 0 40 -2,-0.3 4,-2.9 -13,-0.1 5,-0.3 0.281 96.6 115.3 85.9 -4.8 9.9 -4.6 -9.7 49 55 A G H <> S+ 0 0 0 -3,-1.6 4,-2.3 -12,-0.2 -11,-0.2 0.953 76.8 41.1 -56.0 -60.0 10.3 -7.3 -7.0 50 56 A P H > S+ 0 0 67 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.877 117.6 50.6 -59.5 -37.4 11.0 -10.2 -9.4 51 57 A E H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.853 110.0 47.5 -65.3 -41.9 13.2 -7.9 -11.5 52 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.910 114.6 49.0 -65.8 -38.9 15.3 -6.7 -8.6 53 59 A S H X S+ 0 0 26 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.930 111.9 47.0 -68.3 -41.5 15.6 -10.3 -7.5 54 60 A A H X S+ 0 0 56 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.881 110.8 53.4 -66.1 -36.8 16.6 -11.5 -11.0 55 61 A F H X S+ 0 0 57 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.962 112.1 42.0 -67.7 -50.1 19.2 -8.7 -11.3 56 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.935 115.3 52.4 -59.6 -44.5 21.0 -9.5 -8.0 57 63 A K H X S+ 0 0 94 -4,-2.3 4,-3.3 -5,-0.2 5,-0.3 0.957 112.3 43.9 -58.8 -49.3 20.8 -13.2 -8.8 58 64 A K H X S+ 0 0 144 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.905 113.7 50.8 -57.9 -48.2 22.4 -12.8 -12.2 59 65 A M H < S+ 0 0 37 -4,-2.5 4,-0.2 -5,-0.2 -1,-0.2 0.886 117.9 38.0 -61.3 -42.2 25.1 -10.4 -11.0 60 66 A I H >< S+ 0 0 5 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.879 115.2 51.2 -81.0 -40.5 26.1 -12.7 -8.1 61 67 A E H 3< S+ 0 0 99 -4,-3.3 -2,-0.2 -5,-0.3 -3,-0.2 0.844 112.3 47.4 -66.5 -31.4 25.8 -16.1 -9.9 62 68 A N T 3< S+ 0 0 114 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.497 89.8 112.3 -88.5 -1.7 27.9 -14.9 -12.9 63 69 A A < - 0 0 23 -3,-0.8 3,-0.1 -4,-0.2 -3,-0.0 -0.380 56.8-152.6 -77.0 143.6 30.7 -13.4 -10.8 64 70 A K S S+ 0 0 178 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.876 87.2 20.8 -72.2 -38.7 34.3 -14.8 -10.6 65 71 A K - 0 0 142 -58,-0.0 24,-2.4 2,-0.0 2,-0.4 -0.998 64.5-161.5-138.1 136.0 34.9 -13.3 -7.1 66 72 A I E -AE 6 88A 15 -60,-0.6 -60,-1.9 -2,-0.4 2,-0.3 -0.970 14.1-174.6-119.0 128.6 32.4 -12.3 -4.3 67 73 A E E -AE 5 87A 54 20,-2.0 20,-2.7 -2,-0.4 2,-0.4 -0.951 13.4-149.8-125.3 155.8 33.6 -10.0 -1.5 68 74 A V E -AE 4 86A 0 -64,-2.8 -64,-2.8 -2,-0.3 2,-0.4 -0.920 8.9-169.2-125.4 130.5 31.8 -8.8 1.6 69 75 A E E - E 0 85A 6 16,-2.1 16,-2.4 -2,-0.4 -66,-0.1 -0.970 9.6-153.3-130.8 111.3 32.7 -5.3 3.2 70 76 A F E - E 0 84A 23 -68,-0.5 -68,-0.2 -2,-0.4 14,-0.2 -0.435 16.7-129.8 -72.0 154.6 31.3 -4.6 6.7 71 77 A D - 0 0 3 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.186 34.9 -86.2 -89.3-163.1 30.7 -0.9 7.6 72 78 A K S S+ 0 0 140 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.697 104.3 49.4 -77.3 -23.5 31.9 0.8 10.9 73 79 A G S S- 0 0 17 1,-0.3 -2,-0.1 36,-0.1 37,-0.0 0.180 107.2 -13.6 -97.1-146.3 28.9 -0.1 13.2 74 80 A Q - 0 0 148 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.2 -0.272 51.2-155.0 -53.5 137.6 26.9 -3.3 14.1 75 81 A R S S+ 0 0 126 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.507 73.4 41.6 -98.8 -7.1 27.7 -6.1 11.7 76 82 A T B S-F 82 0A 72 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.984 74.4-133.2-135.4 146.8 24.5 -8.0 12.1 77 83 A D > - 0 0 30 4,-2.6 3,-2.0 -2,-0.3 -2,-0.1 -0.308 43.9 -85.9 -88.3-175.8 20.8 -6.9 12.4 78 84 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.725 128.2 56.8 -65.3 -17.2 18.3 -8.2 15.0 79 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.290 121.1-105.6 -95.9 7.8 17.4 -11.2 12.8 80 86 A G S < S+ 0 0 48 -3,-2.0 2,-0.4 1,-0.3 -53,-0.3 0.574 72.1 144.9 78.0 9.2 21.0 -12.3 12.7 81 87 A R - 0 0 65 -55,-0.1 -4,-2.6 -53,-0.1 -1,-0.3 -0.718 54.0-116.6 -79.1 133.7 21.7 -11.2 9.1 82 88 A G E -dF 28 76A 0 -55,-2.8 -53,-3.5 -2,-0.4 2,-0.7 -0.381 23.9-142.0 -58.5 138.6 25.1 -9.8 8.2 83 89 A L E +d 29 0A 26 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.924 43.8 136.8-111.2 110.0 24.9 -6.1 7.2 84 90 A A E -dE 30 70A 0 -55,-1.6 -53,-2.4 -2,-0.7 2,-0.4 -0.945 58.4-111.5-148.6 174.8 27.3 -5.5 4.3 85 91 A Y E - 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