==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-APR-13 4K14 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR K.JANOWSKA,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 24.3 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 . 3 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.6 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 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 6 A K 0 0 217 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 134.3 38.6 -2.2 -9.8 2 7 A L - 0 0 44 68,-0.1 2,-0.3 113,-0.0 70,-0.1 -0.401 360.0-168.5 -75.3 151.0 36.4 0.4 -8.2 3 8 A H - 0 0 112 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.995 19.7-119.0-138.3 153.7 37.8 3.4 -6.5 4 9 A K - 0 0 86 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.671 25.9-171.8 -85.5 138.0 36.4 6.1 -4.2 5 10 A E E -A 69 0A 29 64,-2.5 64,-2.6 -2,-0.3 2,-0.1 -0.914 27.8-102.6-123.7 155.1 36.5 9.8 -5.2 6 11 A P E +A 68 0A 105 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.409 38.3 171.8 -79.4 155.3 35.6 12.9 -3.0 7 12 A A E -A 67 0A 12 60,-2.0 60,-0.6 15,-0.1 2,-0.4 -0.943 22.9-131.4-148.8 167.3 32.4 14.8 -3.1 8 13 A T E -B 21 0A 94 13,-2.0 13,-2.6 -2,-0.3 2,-0.1 -0.953 27.7-107.9-123.7 142.0 30.8 17.6 -1.1 9 14 A L E +B 20 0A 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.437 38.1 162.6 -66.8 137.2 27.2 17.8 0.2 10 15 A I E - 0 0 72 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.647 68.8 -27.6-105.6 -58.6 24.8 20.1 -1.3 11 16 A K E -B 19 0A 120 8,-1.8 8,-3.4 0, 0.0 2,-0.4 -0.972 48.2-127.4-160.2 132.3 21.5 18.7 -0.1 12 17 A A E -B 18 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.749 29.0-179.7 -75.4 132.4 19.9 15.4 1.0 13 18 A I - 0 0 39 4,-2.0 2,-0.3 -2,-0.4 5,-0.2 0.829 56.3 -23.4-101.8 -45.0 16.8 15.0 -1.1 14 19 A D S S- 0 0 5 3,-2.2 3,-0.5 39,-0.1 -1,-0.4 -0.858 79.9 -75.8-154.3-179.8 15.2 11.7 -0.1 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.860 131.7 25.4 -56.9 -35.3 16.3 8.4 1.6 16 21 A D S S+ 0 0 2 20,-0.1 15,-2.5 21,-0.1 2,-0.4 0.338 115.0 66.5-117.6 10.0 17.9 7.3 -1.7 17 22 A T E + C 0 30A 11 -3,-0.5 -3,-2.2 13,-0.2 -4,-2.0 -0.998 51.4 169.7-138.5 128.7 18.8 10.5 -3.5 18 23 A V E -BC 12 29A 0 11,-2.2 11,-3.4 -2,-0.4 2,-0.5 -0.986 27.2-133.5-136.5 145.1 21.3 13.2 -2.6 19 24 A K E +BC 11 28A 80 -8,-3.4 -9,-2.4 -2,-0.3 -8,-1.8 -0.887 33.5 172.1-101.2 130.4 22.7 16.2 -4.4 20 25 A L E -BC 9 27A 0 7,-2.7 7,-2.5 -2,-0.5 2,-0.7 -0.924 39.2-114.9-131.2 155.4 26.5 16.6 -4.2 21 26 A M E +BC 8 26A 78 -13,-2.6 -13,-2.0 -2,-0.3 2,-0.4 -0.871 42.2 178.1 -88.7 119.7 29.2 18.7 -5.8 22 27 A Y E > - C 0 25A 19 3,-2.8 3,-1.4 -2,-0.7 -15,-0.1 -0.995 65.2 -12.6-132.8 123.2 31.2 16.3 -7.8 23 28 A K T 3 S- 0 0 160 -17,-0.4 -1,-0.2 -2,-0.4 -16,-0.1 0.946 130.9 -52.5 45.9 54.9 34.2 17.4 -9.9 24 29 A G T 3 S+ 0 0 65 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.1 0.478 120.0 97.8 68.9 6.9 33.1 21.0 -9.4 25 30 A Q E < S-C 22 0A 130 -3,-1.4 -3,-2.8 -5,-0.0 2,-0.2 -0.976 76.3-114.8-128.1 139.2 29.5 20.5 -10.6 26 31 A P E +C 21 0A 74 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.508 45.2 172.5 -65.9 134.9 26.2 20.0 -8.7 27 32 A M E -C 20 0A 43 -7,-2.5 -7,-2.7 -2,-0.2 2,-0.4 -0.992 31.8-127.4-150.0 141.7 24.9 16.6 -9.5 28 33 A T E -C 19 0A 41 -2,-0.3 55,-2.6 53,-0.3 2,-0.4 -0.760 26.8-159.3 -90.3 132.8 22.1 14.4 -8.2 29 34 A F E -Cd 18 83A 1 -11,-3.4 -11,-2.2 -2,-0.4 2,-0.5 -0.953 9.4-157.9-115.2 138.4 23.0 10.9 -7.1 30 35 A R E -Cd 17 84A 35 53,-3.4 55,-1.4 -2,-0.4 2,-0.3 -0.947 31.4-114.9-110.3 127.9 20.8 7.9 -6.7 31 36 A L E > - d 0 85A 2 -15,-2.5 3,-1.0 -2,-0.5 55,-0.2 -0.475 34.6-118.4 -65.6 122.2 22.1 5.2 -4.4 32 37 A L T 3 S+ 0 0 13 53,-2.4 55,-0.1 -2,-0.3 -1,-0.1 -0.292 83.2 2.8 -60.2 138.5 22.9 2.0 -6.3 33 38 A L T 3 S+ 0 0 11 75,-0.2 74,-2.4 1,-0.1 2,-0.3 0.462 105.4 96.3 75.3 7.2 21.0 -1.2 -5.4 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.4 72,-0.3 72,-0.2 -0.949 50.3-160.3-130.9 152.1 18.6 0.0 -2.8 35 40 A D E -H 105 0B 56 70,-2.2 70,-2.4 -2,-0.3 3,-0.0 -0.994 13.3-167.9-126.2 118.6 15.1 1.2 -2.7 36 41 A T - 0 0 6 -2,-0.4 68,-0.2 68,-0.2 -20,-0.1 -0.759 36.7 -95.4 -96.7 154.3 13.9 3.3 0.3 37 42 A P - 0 0 18 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.411 55.1-124.1 -63.0 146.0 10.3 4.1 1.1 38 43 A E - 0 0 50 1,-0.1 9,-3.1 -24,-0.1 12,-0.2 -0.673 35.8-174.7-108.7 150.9 9.6 7.5 -0.5 39 44 A T S S+ 0 0 37 -2,-0.3 -1,-0.1 7,-0.3 -25,-0.1 0.541 100.7 42.0-100.4 -24.2 8.4 10.9 0.6 40 45 A K S S+ 0 0 124 10,-0.1 6,-0.2 6,-0.0 -1,-0.1 -0.320 79.2 161.1-115.9 44.4 8.4 12.1 -3.0 41 46 A H B > -I 45 0C 60 4,-2.6 4,-1.9 1,-0.1 5,-0.0 -0.568 42.0-133.8 -66.7 128.1 7.0 9.0 -4.6 42 47 A P T 4 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.760 100.4 17.7 -56.0 -32.9 5.6 10.0 -8.1 43 48 A K T 4 S+ 0 0 198 2,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.750 136.7 32.9-107.4 -38.2 2.3 8.1 -7.6 44 49 A K T 4 S- 0 0 148 1,-0.2 2,-1.0 0, 0.0 -4,-0.0 0.680 78.1-161.2 -98.4 -22.6 2.1 7.5 -3.8 45 50 A G B < +I 41 0C 26 -4,-1.9 -4,-2.6 2,-0.0 2,-0.6 -0.671 67.4 23.9 76.4-103.6 3.7 10.6 -2.3 46 51 A V S S- 0 0 96 -2,-1.0 -7,-0.3 -6,-0.2 2,-0.2 -0.869 71.0-174.4-111.0 112.3 4.6 9.7 1.4 47 52 A E > - 0 0 61 -9,-3.1 3,-1.6 -2,-0.6 2,-0.2 -0.481 38.7 -77.1-101.2 167.5 5.1 6.0 2.4 48 53 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.490 120.0 11.3 -69.3 129.6 5.7 4.3 5.8 49 54 A Y T 3> S+ 0 0 42 -2,-0.2 4,-3.3 -13,-0.1 -1,-0.3 0.284 96.8 115.4 77.8 -3.8 9.4 4.7 7.0 50 55 A G H <> S+ 0 0 0 -3,-1.6 4,-2.6 -12,-0.2 -11,-0.2 0.961 78.9 42.2 -50.9 -60.4 9.8 7.3 4.2 51 56 A P H > S+ 0 0 63 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.899 115.4 51.7 -57.0 -39.1 10.4 10.1 6.7 52 57 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.919 111.6 45.4 -63.7 -49.6 12.7 7.7 8.8 53 58 A A H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.921 114.0 49.3 -58.9 -44.6 14.8 6.7 5.8 54 59 A S H X S+ 0 0 28 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.908 111.9 48.5 -63.4 -40.8 15.1 10.3 4.6 55 60 A A H X S+ 0 0 53 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.905 110.3 52.0 -65.4 -38.8 16.1 11.4 8.1 56 61 A F H X S+ 0 0 52 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.955 112.6 43.9 -64.8 -51.4 18.7 8.6 8.4 57 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.954 114.4 50.8 -57.6 -49.5 20.4 9.6 5.1 58 63 A K H X S+ 0 0 96 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.911 113.6 43.4 -52.1 -52.2 20.3 13.3 6.0 59 64 A K H X S+ 0 0 146 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.913 114.6 49.5 -64.4 -46.2 21.8 12.8 9.4 60 65 A M H < S+ 0 0 39 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.884 117.9 39.7 -61.5 -42.0 24.5 10.4 8.2 61 66 A I H >< S+ 0 0 3 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.885 114.3 50.8 -79.4 -39.7 25.5 12.7 5.3 62 67 A E H 3< S+ 0 0 98 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.753 113.1 46.3 -71.9 -24.3 25.3 16.1 7.1 63 68 A N T 3< S+ 0 0 123 -4,-1.6 -1,-0.2 -5,-0.2 2,-0.2 0.330 88.1 114.7-100.0 4.9 27.5 14.9 10.0 64 69 A A < - 0 0 24 -3,-0.9 3,-0.1 -4,-0.1 -3,-0.0 -0.511 55.8-151.7 -78.6 145.2 30.2 13.2 8.0 65 70 A K S S+ 0 0 183 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.874 87.1 18.1 -70.0 -42.0 33.9 14.4 7.9 66 71 A K - 0 0 144 -58,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.998 64.9-163.2-141.0 131.9 34.4 13.0 4.4 67 72 A I E -AE 7 89A 16 -60,-0.6 -60,-2.0 -2,-0.4 2,-0.4 -0.972 14.0-178.3-116.8 133.1 32.0 11.9 1.7 68 73 A E E -AE 6 88A 54 20,-2.1 20,-3.0 -2,-0.4 2,-0.4 -0.970 14.8-148.1-129.1 150.7 33.2 9.7 -1.2 69 74 A V E -AE 5 87A 0 -64,-2.6 -64,-2.5 -2,-0.4 2,-0.4 -0.911 7.3-166.6-114.3 144.5 31.4 8.3 -4.2 70 75 A E E - E 0 86A 9 16,-2.3 16,-2.7 -2,-0.4 -66,-0.2 -0.958 9.9-151.7-132.7 109.3 32.2 5.0 -5.8 71 76 A F E - E 0 85A 10 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.464 17.6-126.8 -71.6 153.8 30.8 4.3 -9.3 72 77 A D - 0 0 6 12,-0.6 41,-0.2 3,-0.3 -1,-0.1 -0.122 34.7 -90.7 -87.1-168.3 30.2 0.7 -10.3 73 78 A K S S+ 0 0 139 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.541 103.5 51.8 -85.3 -7.3 31.6 -1.0 -13.5 74 79 A G S S- 0 0 22 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.092 107.4 -13.7-108.9-146.1 28.6 -0.2 -15.8 75 80 A Q - 0 0 119 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.290 51.3-155.7 -59.3 141.4 26.6 3.0 -16.8 76 81 A R S S+ 0 0 119 -3,-0.1 8,-2.2 -5,-0.1 2,-0.3 0.496 73.4 41.4-101.5 -7.4 27.4 5.9 -14.4 77 82 A T B S-F 83 0A 75 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.983 73.1-136.2-132.3 151.2 24.1 7.8 -14.9 78 83 A D > - 0 0 34 4,-2.2 3,-1.8 -2,-0.3 -2,-0.1 -0.305 44.7 -84.8 -92.2-174.5 20.4 6.7 -15.2 79 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.727 127.2 58.0 -67.8 -19.3 17.9 8.0 -17.7 80 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 1,-0.0 0, 0.0 0.308 119.7-106.1 -91.8 6.5 17.1 11.0 -15.4 81 86 A G S < S+ 0 0 47 -3,-1.8 2,-0.4 1,-0.3 -53,-0.3 0.610 73.1 143.0 82.0 7.4 20.6 12.2 -15.4 82 87 A R - 0 0 67 -55,-0.1 -4,-2.2 1,-0.1 -1,-0.3 -0.715 54.7-116.5 -83.7 134.0 21.3 11.0 -11.8 83 88 A G E -dF 29 77A 0 -55,-2.6 -53,-3.4 -2,-0.4 2,-0.7 -0.367 22.6-141.3 -60.8 137.2 24.8 9.5 -10.9 84 89 A L E +d 30 0A 26 -8,-2.2 -12,-0.6 -55,-0.2 2,-0.3 -0.911 44.9 140.3-106.6 104.6 24.5 5.8 -9.9 85 90 A A E -dE 31 71A 1 -55,-1.4 -53,-2.4 -2,-0.7 2,-0.5 -0.913 58.6-114.1-141.8 164.6 27.0 5.3 -7.0 86 91 A Y E - E 0 70A 0 -16,-2.7 -16,-2.3 -2,-0.3 2,-0.5 -0.887 40.5-150.6 -91.8 132.1 27.8 3.8 -3.7 87 92 A I E - E 0 69A 0 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.937 8.6-161.1-112.1 131.2 28.1 6.7 -1.3 88 93 A Y E -GE 93 68A 14 -20,-3.0 -20,-2.1 -2,-0.5 2,-0.5 -0.923 6.5-163.5-112.2 131.7 30.5 6.5 1.8 89 94 A A E > S-GE 92 67A 5 3,-2.3 3,-2.1 -2,-0.4 -22,-0.2 -0.988 85.6 -21.4-111.3 115.3 30.2 8.8 4.9 90 95 A D T 3 S- 0 0 64 -24,-3.1 -1,-0.2 -2,-0.5 -23,-0.1 0.903 129.2 -50.8 47.1 48.5 33.5 8.6 6.8 91 96 A G T 3 S+ 0 0 51 -25,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.368 114.8 113.4 73.3 -2.0 34.3 5.2 5.2 92 97 A K E < S-G 89 0A 139 -3,-2.1 -3,-2.3 4,-0.0 2,-0.5 -0.886 71.2-121.4 -99.4 132.6 30.9 3.6 6.0 93 98 A M E > -G 88 0A 15 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.570 14.3-156.7 -78.2 121.1 28.7 2.8 2.9 94 99 A L H > S+ 0 0 0 -7,-3.0 4,-2.5 -2,-0.5 5,-0.2 0.900 92.9 59.5 -58.2 -41.2 25.3 4.6 3.2 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.921 111.1 40.6 -55.2 -50.3 23.7 2.1 0.8 96 101 A E H > S+ 0 0 42 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.892 110.8 57.3 -62.1 -45.4 24.6 -0.8 3.3 97 102 A A H X S+ 0 0 14 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.928 106.9 49.3 -56.0 -43.8 23.7 1.2 6.4 98 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 6,-0.5 0.941 114.1 44.5 -60.5 -49.2 20.2 1.8 5.1 99 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.913 110.6 55.2 -63.1 -44.9 19.6 -1.9 4.3 100 105 A R H 3<5S+ 0 0 69 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.837 108.1 48.9 -57.6 -33.7 21.2 -3.0 7.7 101 106 A Q T 3<5S- 0 0 84 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.328 116.8-111.9 -89.0 1.2 18.7 -0.8 9.6 102 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.7 2,-0.2 -3,-0.2 0.823 87.6 117.5 70.0 31.0 15.7 -2.1 7.7 103 108 A L S - 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