==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-NOV-12 4I65 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.M.WEIR,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) . 7868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 69.9 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 . 38 27.9 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 . 3 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.9 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 . 10 7.4 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 . 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 . 3 2 0 1 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 6 A K 0 0 230 0, 0.0 2,-0.1 0, 0.0 71,-0.0 0.000 360.0 360.0 360.0 132.0 25.9 -15.0 6.8 2 7 A L - 0 0 34 68,-0.1 2,-0.3 0, 0.0 70,-0.1 -0.489 360.0-165.1 -76.0 151.6 23.3 -12.6 5.5 3 8 A H - 0 0 103 68,-0.2 68,-0.5 -2,-0.1 2,-0.3 -0.983 18.1-117.2-137.1 153.0 20.2 -14.0 3.8 4 9 A K E -A 70 0A 91 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.691 24.7-166.9 -88.2 137.6 17.5 -12.5 1.6 5 10 A E E -A 69 0A 22 64,-2.6 64,-2.7 -2,-0.3 -2,-0.0 -0.955 26.1-108.0-122.9 145.0 13.8 -12.5 2.6 6 11 A P E +A 68 0A 104 0, 0.0 17,-0.3 0, 0.0 2,-0.3 -0.297 36.7 176.6 -71.8 156.4 10.9 -11.7 0.3 7 12 A A E -A 67 0A 12 60,-2.2 60,-0.6 15,-0.1 2,-0.5 -0.961 25.0-128.7-150.4 158.5 8.9 -8.5 0.6 8 13 A T E -B 21 0A 97 13,-2.0 13,-2.9 -2,-0.3 2,-0.1 -0.969 27.4-119.8-116.3 125.3 6.0 -7.0 -1.5 9 14 A L E +B 20 0A 43 -2,-0.5 11,-0.3 11,-0.2 3,-0.1 -0.409 35.8 166.9 -61.7 129.8 6.3 -3.5 -2.8 10 15 A I E - 0 0 82 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.760 67.2 -21.4 -98.5 -62.6 3.6 -1.1 -1.6 11 16 A K E -B 19 0A 127 8,-1.7 8,-3.7 0, 0.0 2,-0.5 -0.991 50.6-128.8-152.0 135.9 5.1 2.3 -2.6 12 17 A A E -B 18 0A 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.808 27.7-177.2 -79.9 126.5 8.5 3.8 -3.6 13 18 A I E - 0 0 41 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.837 57.3 -26.4 -98.1 -41.2 8.7 6.9 -1.4 14 19 A D E > S-B 17 0A 5 3,-2.0 3,-0.7 40,-0.1 -1,-0.3 -0.882 80.0 -74.8-159.4-178.2 12.0 8.5 -2.5 15 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.831 132.1 30.4 -59.4 -29.8 15.4 7.5 -4.0 16 21 A D T 3 S+ 0 0 4 20,-0.1 15,-2.7 1,-0.1 2,-0.4 0.324 114.9 62.6-112.4 4.7 16.5 6.0 -0.7 17 22 A T E < +BC 14 30A 9 -3,-0.7 -4,-2.1 13,-0.2 -3,-2.0 -0.995 50.8 174.0-144.5 130.1 13.2 4.8 0.9 18 23 A I E -BC 12 29A 1 11,-2.5 11,-3.5 -2,-0.4 2,-0.5 -0.961 24.1-134.6-134.8 150.6 10.5 2.3 -0.0 19 24 A K E +BC 11 28A 81 -8,-3.7 -9,-2.8 -2,-0.3 -8,-1.7 -0.938 34.4 166.2-106.6 131.5 7.4 1.0 1.7 20 25 A V E -BC 9 27A 0 7,-2.7 7,-2.7 -2,-0.5 2,-0.7 -0.918 43.2-110.2-134.8 158.1 6.9 -2.8 1.6 21 26 A M E +BC 8 26A 70 -13,-2.9 -13,-2.0 -2,-0.3 2,-0.5 -0.885 42.1 179.6 -83.6 117.8 4.8 -5.6 3.2 22 27 A Y E > - C 0 25A 24 3,-2.9 3,-1.0 -2,-0.7 -15,-0.1 -0.981 67.9 -14.5-125.2 120.6 7.3 -7.5 5.2 23 28 A K T 3 S- 0 0 159 -2,-0.5 -1,-0.2 -17,-0.3 -16,-0.1 0.928 131.1 -52.1 52.0 47.4 6.1 -10.5 7.2 24 29 A G T 3 S+ 0 0 56 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.1 0.536 120.7 98.3 71.4 10.9 2.5 -9.4 6.7 25 30 A Q E < S-C 22 0A 132 -3,-1.0 -3,-2.9 2,-0.0 2,-0.2 -0.991 76.5-114.7-129.1 137.9 2.9 -5.8 8.0 26 31 A P E +C 21 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.503 45.4 170.8 -65.6 136.2 3.5 -2.5 6.1 27 32 A M E -C 20 0A 48 -7,-2.7 -7,-2.7 -2,-0.2 2,-0.4 -0.990 32.2-126.5-149.8 141.0 7.0 -1.2 6.9 28 33 A T E -C 19 0A 41 -2,-0.3 55,-2.8 53,-0.3 2,-0.4 -0.790 24.9-160.1 -87.7 135.0 9.3 1.5 5.6 29 34 A F E -Cd 18 83A 1 -11,-3.5 -11,-2.5 -2,-0.4 2,-0.5 -0.952 7.5-154.8-117.2 135.8 12.8 0.5 4.5 30 35 A R E -Cd 17 84A 36 53,-3.5 55,-1.5 -2,-0.4 2,-0.5 -0.933 31.3-114.6-102.8 129.9 15.8 2.9 4.2 31 36 A L E > - d 0 85A 1 -15,-2.7 3,-1.1 -2,-0.5 55,-0.2 -0.536 35.6-118.1 -71.3 118.4 18.4 1.6 1.7 32 37 A L T 3 S+ 0 0 14 53,-2.5 55,-0.1 -2,-0.5 -1,-0.1 -0.207 82.4 2.5 -55.3 136.5 21.7 0.8 3.6 33 38 A L T 3 S+ 0 0 12 75,-0.2 74,-2.4 1,-0.1 2,-0.4 0.412 102.5 102.7 77.3 1.3 24.9 2.7 2.8 34 39 A V E < -H 106 0B 0 -3,-1.1 2,-0.5 72,-0.3 72,-0.2 -0.911 49.1-160.6-123.1 148.5 23.7 5.1 0.2 35 40 A D E -H 105 0B 62 70,-2.7 70,-2.5 -2,-0.4 -3,-0.0 -0.975 15.7-172.6-123.6 115.0 22.8 8.8 0.1 36 41 A T - 0 0 6 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.732 36.4 -98.4 -96.6 153.9 20.6 9.9 -2.7 37 42 A P - 0 0 11 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.432 53.3-128.2 -65.3 142.8 19.7 13.5 -3.5 38 43 A E - 0 0 45 1,-0.1 9,-3.2 -2,-0.1 12,-0.2 -0.652 34.7-171.7-106.3 155.7 16.3 14.0 -2.0 39 44 A T S S+ 0 0 34 7,-0.3 -1,-0.1 11,-0.2 -25,-0.1 0.539 102.3 42.9-101.7 -27.2 13.0 15.3 -3.2 40 45 A K S S+ 0 0 132 10,-0.1 6,-0.2 6,-0.0 -1,-0.1 -0.388 80.8 161.0-112.9 49.5 11.7 15.2 0.4 41 46 A H B > -I 45 0C 47 4,-2.1 4,-1.2 1,-0.1 5,-0.0 -0.612 43.6-128.6 -72.3 129.6 14.8 16.6 2.1 42 47 A P T 4 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.826 100.2 8.1 -49.2 -47.2 14.0 18.0 5.6 43 48 A K T 4 S+ 0 0 187 2,-0.1 -2,-0.1 -3,-0.0 0, 0.0 0.858 139.4 38.8 -97.6 -51.0 15.5 21.4 5.1 44 49 A K T 4 S- 0 0 136 1,-0.2 2,-0.8 -4,-0.0 -4,-0.0 0.764 77.2-167.8 -81.2 -33.1 16.3 21.5 1.4 45 50 A G B < +I 41 0C 23 -4,-1.2 -4,-2.1 2,-0.0 2,-0.7 -0.708 64.3 24.8 83.0-110.2 13.4 19.7 -0.3 46 51 A V S S- 0 0 90 -2,-0.8 -7,-0.3 -6,-0.2 2,-0.2 -0.844 71.2-174.5-101.8 109.2 14.2 18.9 -4.0 47 52 A E > - 0 0 54 -9,-3.2 3,-1.9 -2,-0.7 2,-0.1 -0.492 40.3 -77.7 -95.5 166.0 17.9 18.6 -4.8 48 53 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.0 -0.442 121.7 14.1 -68.6 134.5 19.5 18.1 -8.3 49 54 A Y T 3> S+ 0 0 39 -2,-0.1 4,-3.0 -13,-0.1 5,-0.3 0.324 97.1 113.1 74.1 -4.0 19.2 14.4 -9.5 50 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.5 -12,-0.2 -11,-0.2 0.963 78.9 43.4 -57.4 -56.8 16.6 13.9 -6.6 51 56 A P H > S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.894 116.2 48.6 -59.0 -38.5 13.8 13.4 -9.1 52 57 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.895 112.2 47.0 -66.1 -47.4 16.0 11.1 -11.3 53 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.904 113.8 50.6 -56.3 -45.3 17.3 8.9 -8.3 54 59 A S H X S+ 0 0 27 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.925 111.2 45.9 -61.2 -43.9 13.7 8.7 -7.2 55 60 A A H X S+ 0 0 42 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.877 111.6 54.1 -69.0 -36.8 12.4 7.6 -10.6 56 61 A F H X S+ 0 0 54 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.963 110.6 43.8 -61.8 -55.6 15.3 5.1 -10.9 57 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.946 115.5 50.7 -53.5 -48.2 14.5 3.4 -7.5 58 63 A K H X S+ 0 0 93 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.942 112.4 44.1 -54.6 -54.1 10.7 3.4 -8.4 59 64 A K H X S+ 0 0 141 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.889 113.0 52.7 -63.8 -38.5 11.1 1.8 -11.9 60 65 A M H < S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.3 4,-0.2 0.922 117.7 35.1 -66.3 -45.6 13.5 -0.8 -10.6 61 66 A V H >< S+ 0 0 4 -4,-2.4 3,-0.7 -5,-0.2 -2,-0.2 0.874 116.7 52.5 -77.3 -38.1 11.2 -2.0 -7.8 62 67 A E H 3< S+ 0 0 91 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.809 112.5 45.1 -65.6 -30.9 7.9 -1.6 -9.6 63 68 A N T 3< S+ 0 0 127 -4,-1.7 -1,-0.2 -5,-0.3 2,-0.2 0.411 91.3 108.4 -96.5 2.7 9.0 -3.6 -12.7 64 69 A A < - 0 0 23 -3,-0.7 3,-0.1 -4,-0.2 -3,-0.0 -0.486 59.0-151.1 -78.6 146.5 10.6 -6.4 -10.7 65 70 A K S S+ 0 0 186 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.829 88.7 25.0 -75.0 -39.0 9.2 -10.0 -10.4 66 71 A K - 0 0 144 -58,-0.0 24,-3.2 2,-0.0 2,-0.4 -0.999 65.6-167.1-135.7 125.9 10.7 -10.5 -7.0 67 72 A V E -AE 7 89A 14 -60,-0.6 -60,-2.2 -2,-0.4 2,-0.3 -0.970 15.6-179.6-113.0 133.1 11.7 -7.9 -4.3 68 73 A E E -AE 6 88A 50 20,-2.2 20,-3.0 -2,-0.4 2,-0.4 -0.961 16.7-147.9-132.0 149.9 13.9 -9.1 -1.5 69 74 A V E -AE 5 87A 0 -64,-2.7 -64,-2.6 -2,-0.3 2,-0.4 -0.921 6.9-164.1-115.6 144.9 15.3 -7.4 1.6 70 75 A E E -AE 4 86A 10 16,-2.5 16,-2.8 -2,-0.4 -66,-0.2 -0.965 9.7-150.6-132.9 113.2 18.6 -8.4 3.2 71 76 A F E - E 0 85A 11 -68,-0.5 -68,-0.2 -2,-0.4 14,-0.2 -0.478 16.4-130.6 -75.6 153.5 19.4 -7.1 6.8 72 77 A D - 0 0 7 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.189 33.6 -89.6 -90.2-168.3 23.1 -6.5 7.7 73 78 A K S S+ 0 0 134 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.653 104.5 50.5 -80.7 -19.4 24.8 -7.9 11.0 74 79 A G S S- 0 0 19 1,-0.3 -2,-0.1 36,-0.1 37,-0.1 0.136 108.1 -11.8-100.6-150.1 24.0 -4.8 13.2 75 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.208 50.2-158.4 -51.9 137.2 20.8 -2.8 14.1 76 81 A R S S+ 0 0 120 1,-0.1 8,-2.5 -3,-0.1 2,-0.3 0.587 73.6 41.8 -97.9 -12.8 17.9 -3.7 11.8 77 82 A T B S-F 83 0A 75 6,-0.3 6,-0.2 -48,-0.1 -1,-0.1 -0.987 72.9-137.3-132.5 147.1 15.9 -0.5 12.3 78 83 A D > - 0 0 35 4,-2.4 3,-1.9 -2,-0.3 -2,-0.0 -0.301 44.4 -85.5 -87.6-178.5 16.9 3.2 12.6 79 84 A K T 3 S+ 0 0 185 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.695 126.7 57.6 -61.5 -20.1 15.6 5.8 15.1 80 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.318 120.2-104.2 -93.3 5.2 12.5 6.6 12.8 81 86 A G S < S+ 0 0 48 -3,-1.9 2,-0.4 1,-0.3 -53,-0.3 0.585 74.7 143.0 83.5 5.3 11.3 2.9 12.8 82 87 A R - 0 0 60 -55,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.668 53.8-118.4 -80.8 133.0 12.6 2.3 9.3 83 88 A G E -dF 29 77A 0 -55,-2.8 -53,-3.5 -2,-0.4 2,-0.6 -0.383 22.2-140.8 -59.5 141.2 14.2 -1.1 8.4 84 89 A L E +d 30 0A 27 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.950 44.1 135.7-112.0 110.7 17.8 -0.9 7.3 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-2.5 -2,-0.6 2,-0.5 -0.960 59.6-107.8-150.3 161.6 18.5 -3.2 4.5 86 91 A Y E - 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