==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (PHOSPHORIC DIESTER) 15-FEB-90 1SNM . COMPND 2 MOLECULE: THERMONUCLEASE PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.J.LOLL,E.E.LATTMAN . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 64.4 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 . 31 23.0 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 2.2 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 . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.7 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 92 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 165.4 0.9 36.8 21.8 2 8 A H - 0 0 115 68,-0.4 68,-0.6 69,-0.1 2,-0.3 -0.994 360.0-129.9-141.7 140.6 4.1 38.3 20.3 3 9 A K E -A 69 0A 85 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.512 24.5-174.5 -75.4 132.1 6.6 37.0 17.7 4 10 A E E -A 68 0A 33 64,-2.3 64,-2.4 -2,-0.3 2,-0.0 -0.982 29.7-105.1-124.9 150.2 10.4 37.3 18.6 5 11 A P E +A 67 0A 102 0, 0.0 17,-0.3 0, 0.0 2,-0.3 -0.341 39.0 173.3 -75.8 158.2 13.2 36.3 16.2 6 12 A A E -A 66 0A 13 60,-2.0 60,-0.7 15,-0.1 2,-0.4 -0.875 24.6-125.0-153.4 167.8 15.2 33.1 16.5 7 13 A T E -D 20 0B 97 13,-1.5 13,-2.9 -2,-0.3 2,-0.2 -0.987 26.2-111.6-124.9 135.0 17.9 31.5 14.3 8 14 A L E +D 19 0B 48 -2,-0.4 11,-0.2 11,-0.2 3,-0.0 -0.379 38.0 164.4 -64.5 135.1 17.9 28.0 13.0 9 15 A I E - 0 0 70 9,-2.0 2,-0.3 -2,-0.2 10,-0.2 0.640 69.6 -30.2-112.0 -60.2 20.5 25.7 14.5 10 16 A K E -D 18 0B 124 8,-2.3 8,-3.5 50,-0.0 2,-0.4 -0.884 46.1-123.0-167.4 141.8 18.8 22.5 13.2 11 17 A A E -D 17 0B 19 -2,-0.3 6,-0.2 6,-0.3 3,-0.1 -0.532 24.0-179.5 -74.7 127.6 15.6 20.7 12.2 12 18 A I - 0 0 53 4,-1.4 2,-0.2 -2,-0.4 5,-0.2 0.928 58.1 -42.8 -94.9 -57.5 15.2 17.4 14.2 13 19 A D S S- 0 0 13 3,-2.4 3,-0.5 39,-0.1 -1,-0.3 -0.697 81.6 -51.9-158.1-161.2 11.9 16.1 12.8 14 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 1,-0.2 83,-0.1 0.817 133.2 14.8 -57.8 -34.0 8.4 17.0 11.6 15 21 A D S S+ 0 0 7 20,-0.1 15,-2.4 21,-0.1 2,-0.4 0.290 114.2 72.8-128.0 17.0 7.6 18.9 14.9 16 22 A T E + E 0 29B 12 -3,-0.5 -3,-2.4 13,-0.2 -4,-1.4 -0.991 50.4 166.4-135.6 127.6 10.8 19.4 16.7 17 23 A V E -DE 11 28B 1 11,-1.8 11,-3.5 -2,-0.4 2,-0.5 -0.963 30.1-131.4-138.5 149.2 13.5 22.0 15.8 18 24 A K E +DE 10 27B 80 -8,-3.5 -8,-2.3 -2,-0.3 -9,-2.0 -0.934 32.3 176.5 -98.8 135.3 16.5 23.4 17.6 19 25 A L E -DE 8 26B 1 7,-2.6 7,-2.6 -2,-0.5 2,-0.7 -0.826 36.7-119.0-131.5 159.9 16.9 27.2 17.5 20 26 A M E -DE 7 25B 71 -13,-2.9 -13,-1.5 -2,-0.3 2,-0.5 -0.894 41.0-175.8 -93.8 116.5 19.2 29.8 19.0 21 27 A Y E > - E 0 24B 17 3,-3.6 3,-2.1 -2,-0.7 -15,-0.1 -0.981 64.5 -15.8-124.1 117.5 16.8 31.8 21.1 22 28 A K T 3 S- 0 0 158 -2,-0.5 -1,-0.2 -17,-0.3 -16,-0.1 0.898 131.2 -54.5 56.4 40.9 18.0 35.0 23.0 23 29 A G T 3 S+ 0 0 65 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.1 0.592 121.3 101.7 67.4 21.0 21.4 33.6 22.4 24 30 A Q E < S-E 21 0B 109 -3,-2.1 -3,-3.6 2,-0.0 2,-0.3 -0.984 71.7-122.1-131.7 140.4 20.9 30.1 23.9 25 31 A P E +E 20 0B 79 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.601 41.3 168.0 -76.2 134.3 20.3 26.9 21.8 26 32 A M E -E 19 0B 28 -7,-2.6 -7,-2.6 -2,-0.3 2,-0.4 -0.967 36.4-119.5-145.1 154.3 17.0 25.3 22.8 27 33 A T E -E 18 0B 41 -2,-0.3 55,-3.1 -9,-0.2 2,-0.4 -0.773 30.5-160.8 -93.5 135.4 14.9 22.5 21.3 28 34 A F E -Ef 17 82B 0 -11,-3.5 -11,-1.8 -2,-0.4 2,-0.5 -0.909 7.0-156.8-114.7 148.3 11.4 23.7 20.5 29 35 A R E -Ef 16 83B 20 53,-3.1 55,-1.3 -2,-0.4 -13,-0.2 -0.978 31.1-110.3-124.8 130.7 8.4 21.4 19.9 30 36 A L E > - f 0 84B 2 -15,-2.4 3,-0.9 -2,-0.5 55,-0.2 -0.422 34.5-118.8 -63.1 124.1 5.5 22.9 17.8 31 37 A L T 3 S+ 0 0 11 53,-2.3 55,-0.1 1,-0.2 -1,-0.1 -0.377 84.4 6.3 -64.5 146.0 2.3 23.6 19.8 32 38 A L T 3 S+ 0 0 4 75,-0.5 74,-1.2 80,-0.1 2,-0.3 0.421 108.0 84.4 66.6 7.8 -0.9 21.8 19.0 33 39 A V E < -H 105 0C 0 -3,-0.9 2,-0.3 72,-0.3 72,-0.2 -0.909 52.4-156.6-134.7 173.6 0.2 19.3 16.4 34 40 A D E -H 104 0C 56 70,-1.5 70,-1.5 -2,-0.3 3,-0.1 -0.937 8.0-166.6-147.7 114.2 1.8 15.9 16.1 35 41 A T - 0 0 4 -2,-0.3 68,-0.2 68,-0.2 -20,-0.1 -0.741 42.9 -84.1 -93.9 156.5 3.8 14.6 13.1 36 42 A P - 0 0 20 0, 0.0 -22,-0.4 0, 0.0 2,-0.2 -0.228 48.5-114.9 -61.5 138.9 4.6 10.9 12.6 37 43 A D - 0 0 49 1,-0.1 9,-2.7 -24,-0.1 3,-0.2 -0.599 26.5-172.7 -75.6 138.8 7.7 9.8 14.5 38 44 A T S S+ 0 0 26 7,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.576 82.2 47.1-107.5 -20.3 10.7 8.6 12.5 39 45 A K S S+ 0 0 144 4,-0.1 -1,-0.2 5,-0.1 -2,-0.0 -0.633 71.1 159.3-119.9 58.8 13.0 7.4 15.2 40 46 A H > - 0 0 63 -2,-0.3 4,-2.0 -3,-0.2 2,-0.4 -0.722 65.7 -77.2 -83.6 137.3 10.5 5.4 17.2 41 47 A P T 4 S- 0 0 120 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.158 107.2 -24.9 -48.7 99.7 12.6 2.9 19.3 42 48 A K T 4 S+ 0 0 210 -2,-0.4 -2,-0.0 1,-0.1 -3,-0.0 -0.001 125.8 89.8 87.8 -36.0 13.7 0.2 16.8 43 49 A K T 4 S- 0 0 119 -3,-0.1 -4,-0.1 -2,-0.1 -1,-0.1 0.867 70.5-162.5 -49.6 -56.6 10.6 1.0 14.6 44 50 A G < + 0 0 37 -4,-2.0 2,-0.1 2,-0.0 -1,-0.1 0.396 57.2 8.1 78.8 5.2 12.5 3.6 12.6 45 51 A V - 0 0 72 4,-0.1 -7,-0.3 2,-0.0 2,-0.2 -0.227 54.2-143.2 154.5 126.3 9.5 5.4 11.0 46 52 A E > - 0 0 44 -9,-2.7 3,-1.8 1,-0.1 2,-0.1 -0.506 57.9 -74.8 -94.5 158.4 5.7 5.8 11.1 47 53 A K T 3 S+ 0 0 135 1,-0.2 -1,-0.1 -2,-0.2 -10,-0.1 -0.417 123.9 14.4 -59.5 132.4 4.0 6.4 7.7 48 54 A Y T 3> S+ 0 0 62 -13,-0.1 4,-3.8 -2,-0.1 5,-0.4 0.236 94.6 117.3 81.5 -3.3 4.5 10.1 6.7 49 55 A G H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.2 -35,-0.2 0.976 79.7 38.7 -52.0 -65.4 7.3 10.4 9.3 50 56 A P H > S+ 0 0 60 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.791 116.6 53.2 -56.7 -40.2 10.0 11.0 6.7 51 57 A E H > S+ 0 0 99 2,-0.2 4,-1.9 3,-0.1 -2,-0.2 0.901 109.1 46.8 -59.9 -50.4 7.6 13.2 4.7 52 58 A A H X S+ 0 0 0 -4,-3.8 4,-2.4 1,-0.2 5,-0.3 0.950 112.0 53.6 -58.4 -45.1 6.7 15.5 7.6 53 59 A S H X S+ 0 0 24 -4,-2.2 4,-2.4 -5,-0.4 -1,-0.2 0.877 109.9 44.8 -60.5 -43.5 10.4 15.8 8.6 54 60 A A H X S+ 0 0 58 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.837 110.2 55.4 -74.5 -28.6 11.5 16.9 5.1 55 61 A F H X S+ 0 0 31 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.980 113.4 40.0 -62.8 -55.1 8.6 19.4 4.8 56 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.950 115.6 51.6 -57.2 -46.8 9.6 21.1 8.1 57 63 A K H X S+ 0 0 102 -4,-2.4 4,-2.8 -5,-0.3 -2,-0.2 0.934 112.3 47.9 -59.8 -38.3 13.3 20.9 7.3 58 64 A K H X S+ 0 0 115 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.909 111.7 48.6 -66.9 -47.9 12.6 22.5 3.9 59 65 A M H < S+ 0 0 26 -4,-3.2 4,-0.4 -5,-0.2 -1,-0.2 0.881 118.4 38.2 -60.7 -44.1 10.5 25.3 5.3 60 66 A V H < S+ 0 0 4 -4,-2.3 3,-0.5 -5,-0.3 -2,-0.2 0.869 113.4 53.5 -77.9 -34.7 12.9 26.3 8.0 61 67 A E H < S+ 0 0 97 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.837 112.4 46.5 -73.4 -25.3 16.2 25.9 6.1 62 68 A N S < S+ 0 0 140 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.392 87.4 110.8 -91.8 -0.5 14.9 28.1 3.3 63 69 A A - 0 0 22 -3,-0.5 3,-0.1 -4,-0.4 -3,-0.0 -0.467 56.2-154.1 -77.2 146.5 13.5 31.0 5.3 64 70 A K S S+ 0 0 198 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.914 88.5 25.3 -80.3 -49.4 15.1 34.4 5.4 65 71 A K - 0 0 137 -3,-0.1 24,-3.1 -58,-0.1 2,-0.4 -0.929 63.4-164.8-121.8 135.0 13.5 34.9 8.9 66 72 A I E -AB 6 88A 14 -60,-0.7 -60,-2.0 -2,-0.4 2,-0.3 -0.935 12.2-177.8-114.5 139.8 12.4 32.6 11.7 67 73 A E E -AB 5 87A 50 20,-2.0 20,-2.9 -2,-0.4 2,-0.4 -0.964 13.8-151.8-134.7 143.9 10.1 33.8 14.6 68 74 A V E -AB 4 86A 0 -64,-2.4 -64,-2.3 -2,-0.3 2,-0.4 -0.911 6.4-165.8-115.8 143.0 8.8 32.0 17.7 69 75 A E E -AB 3 85A 11 16,-2.4 16,-2.8 -2,-0.4 -66,-0.2 -0.962 10.3-151.0-130.3 112.0 5.5 32.9 19.3 70 76 A F - 0 0 16 -68,-0.6 -68,-0.4 -2,-0.4 14,-0.2 -0.481 15.8-133.7 -72.6 155.2 4.8 31.5 22.9 71 77 A D - 0 0 6 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.034 36.0 -83.3 -95.4-157.2 1.2 31.0 23.8 72 78 A K S S+ 0 0 114 39,-0.5 40,-0.1 -2,-0.1 3,-0.1 0.556 102.1 41.8 -87.2 -19.7 -0.4 32.1 27.1 73 79 A G S S- 0 0 18 1,-0.3 37,-0.1 2,-0.0 -2,-0.0 0.073 106.7 -2.2-102.8-134.6 0.5 29.2 29.5 74 80 A Q - 0 0 94 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.3 -0.230 52.4-158.9 -50.6 128.9 3.6 27.0 30.2 75 81 A R S S+ 0 0 131 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.488 73.4 40.5 -98.4 -4.1 6.5 27.8 27.8 76 82 A T B S-G 82 0B 75 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.937 75.5-133.5-138.2 153.7 8.3 24.5 28.2 77 83 A D > - 0 0 30 4,-1.7 3,-2.6 -2,-0.3 -2,-0.1 -0.382 45.9 -84.3 -92.6 175.9 7.2 20.9 28.4 78 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.713 128.9 58.6 -64.9 -8.0 8.4 18.3 31.0 79 85 A Y T 3 S- 0 0 167 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.398 119.1-108.9 -96.8 0.2 11.4 17.5 28.7 80 86 A G S < S+ 0 0 49 -3,-2.6 2,-0.3 1,-0.3 -53,-0.2 0.536 71.5 142.9 82.8 4.0 12.6 21.1 28.8 81 87 A R - 0 0 66 -55,-0.1 -4,-1.7 -53,-0.1 -1,-0.3 -0.632 56.0-114.5 -78.8 145.7 11.6 21.8 25.1 82 88 A G E -fG 28 76B 0 -55,-3.1 -53,-3.1 -2,-0.3 2,-0.6 -0.518 25.2-141.5 -76.8 145.3 10.2 25.3 24.4 83 89 A L E +f 29 0B 25 -8,-2.5 -12,-0.5 -55,-0.2 2,-0.3 -0.941 42.8 133.6-107.8 111.8 6.5 25.2 23.3 84 90 A A E -f 30 0B 0 -55,-1.3 -53,-2.3 -2,-0.6 2,-0.5 -0.957 60.6-106.6-149.7 173.9 5.7 27.7 20.5 85 91 A Y E -B 69 0A 0 -16,-2.8 -16,-2.4 -2,-0.3 2,-0.5 -0.889 42.9-151.0 -95.1 128.2 4.1 28.5 17.2 86 92 A I E -B 68 0A 2 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.956 8.8-162.5-109.1 138.1 7.1 28.8 14.7 87 93 A Y E -BC 67 92A 19 -20,-2.9 -20,-2.0 -2,-0.5 2,-0.6 -0.930 6.3-162.4-120.4 132.3 6.8 31.1 11.7 88 94 A A E > S-BC 66 91A 6 3,-2.5 3,-2.1 -2,-0.4 -22,-0.2 -0.989 85.9 -19.7-116.9 112.2 9.2 30.9 8.6 89 95 A D T 3 S- 0 0 78 -24,-3.1 -1,-0.2 -2,-0.6 -23,-0.1 0.862 130.1 -52.1 53.9 47.2 9.0 34.1 6.6 90 96 A G T 3 S+ 0 0 52 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.291 113.6 118.1 70.8 1.3 5.7 34.9 8.3 91 97 A K E < -C 88 0A 112 -3,-2.1 -3,-2.5 4,-0.0 2,-0.3 -0.838 68.6-124.5 -94.2 124.3 4.1 31.5 7.4 92 98 A M E > -C 87 0A 17 -2,-0.5 4,-2.0 -5,-0.3 -5,-0.3 -0.549 14.3-156.9 -72.7 118.7 3.2 29.4 10.6 93 99 A V H > S+ 0 0 1 -7,-3.2 4,-2.1 -2,-0.3 5,-0.2 0.869 90.3 61.3 -60.1 -42.0 5.0 26.0 10.2 94 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.890 110.7 39.4 -50.8 -44.1 2.4 24.4 12.6 95 101 A E H > S+ 0 0 30 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.907 109.2 58.9 -74.9 -39.9 -0.5 25.2 10.2 96 102 A A H X S+ 0 0 4 -4,-2.0 4,-1.5 1,-0.2 6,-0.2 0.896 108.0 47.4 -53.8 -47.7 1.4 24.5 7.0 97 103 A L H <>S+ 0 0 0 -4,-2.1 5,-3.0 2,-0.2 6,-0.6 0.934 115.4 45.0 -61.2 -46.9 1.9 20.8 8.2 98 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.8 -5,-0.2 -2,-0.2 0.938 109.3 55.5 -63.2 -45.3 -1.8 20.4 9.2 99 105 A R H 3<5S+ 0 0 71 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.811 108.9 48.5 -59.3 -34.6 -2.9 22.0 6.0 100 106 A Q T 3<5S- 0 0 80 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.292 114.8-112.6 -81.8 -0.5 -0.9 19.3 4.1 101 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-1.7 -4,-0.2 -3,-0.2 0.753 87.3 117.9 72.7 26.4 -2.2 16.4 6.0 102 108 A L S - 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