==== 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 14-AUG-12 4B6J . COMPND 2 MOLECULE: PHOSPHOSERINE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS ONNURINEUS NA1; . AUTHOR T.-Y.JUNG,Y.-S.KIM,H.-N.SONG,E.WOO . 800 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34644.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 131 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 4.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 . 51 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 8 1 3 0 4 4 1 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 6 12 3 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 2 4 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 -6 A G 0 0 28 0, 0.0 600,-0.2 0, 0.0 599,-0.1 0.000 360.0 360.0 360.0 58.6 27.9 24.5 -57.5 2 -5 A A + 0 0 18 598,-0.7 735,-1.8 734,-0.2 2,-0.3 0.665 360.0 24.6 -65.9 -15.1 26.5 24.4 -61.0 3 -4 A M E -ab 601 737A 3 597,-1.8 599,-3.1 733,-0.3 735,-0.2 -0.969 52.7-167.3-154.0 135.4 24.1 21.8 -59.8 4 -3 A D E - b 0 738A 20 733,-3.1 2,-2.4 -2,-0.3 735,-2.1 -0.941 17.4-155.6-114.7 105.3 22.4 20.5 -56.6 5 -2 A P > + 0 0 7 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.490 27.2 165.8 -78.6 75.0 20.9 17.1 -57.5 6 -1 A Q G > + 0 0 4 -2,-2.4 3,-1.2 733,-0.4 734,-0.2 0.828 64.7 63.3 -63.2 -34.1 18.4 17.5 -54.7 7 0 A F G 3 S+ 0 0 23 732,-1.8 -1,-0.3 1,-0.3 733,-0.1 0.698 99.6 53.8 -69.1 -19.1 16.2 14.7 -55.9 8 1 A M G < S+ 0 0 3 -3,-1.2 546,-0.3 733,-0.1 -1,-0.3 0.597 88.4 105.1 -89.7 -12.3 18.9 12.1 -55.3 9 2 A K S < S- 0 0 18 -3,-1.2 87,-0.1 -4,-0.5 2,-0.1 -0.323 79.3-106.5 -69.0 148.1 19.5 13.1 -51.7 10 3 A K - 0 0 11 85,-0.4 87,-1.7 141,-0.1 2,-0.5 -0.388 42.1-115.4 -66.1 154.7 18.3 11.1 -48.7 11 4 A V E -ef 97 153B 8 141,-2.5 143,-2.8 85,-0.2 2,-0.7 -0.844 19.6-161.6-110.1 126.5 15.3 12.6 -47.0 12 5 A A E -ef 98 154B 0 85,-2.5 87,-2.7 -2,-0.5 2,-0.5 -0.906 16.0-167.4-101.7 111.5 15.0 13.9 -43.4 13 6 A V E -ef 99 155B 0 141,-2.6 143,-2.8 -2,-0.7 2,-0.5 -0.876 1.6-167.3-103.9 124.7 11.4 14.1 -42.4 14 7 A I E -ef 100 156B 0 85,-2.6 87,-2.6 -2,-0.5 2,-0.8 -0.950 17.6-145.4-116.7 121.0 10.5 16.1 -39.3 15 8 A D E -e 101 0B 0 141,-2.8 87,-0.2 -2,-0.5 5,-0.2 -0.783 20.4-151.1 -77.9 113.6 7.1 15.9 -37.6 16 9 A I >>> + 0 0 0 85,-2.5 4,-2.4 -2,-0.8 3,-2.0 0.871 67.3 87.8 -60.3 -46.9 6.9 19.5 -36.4 17 10 A E B 345S+j 21 0C 7 84,-0.3 143,-0.6 1,-0.3 141,-0.4 -0.393 107.5 0.5 -65.8 114.1 4.7 19.0 -33.3 18 11 A G T 345S+ 0 0 25 3,-2.0 -1,-0.3 -2,-0.4 4,-0.1 0.534 129.4 63.0 89.5 8.7 6.8 18.2 -30.2 19 12 A T T <45S+ 0 0 6 -3,-2.0 -2,-0.2 2,-0.2 -3,-0.1 0.610 117.6 15.2-126.4 -45.4 10.1 18.4 -32.0 20 13 A L T <5S+ 0 0 6 -4,-2.4 61,-0.5 1,-0.3 2,-0.3 0.546 131.6 24.7-107.6 -13.6 10.4 21.9 -33.3 21 14 A T B < -j 17 0C 18 -5,-1.0 -3,-2.0 2,-0.1 -1,-0.3 -0.999 53.2-144.3-155.9 148.6 7.7 23.5 -31.2 22 15 A D + 0 0 155 -2,-0.3 2,-0.2 -5,-0.1 -1,-0.1 0.482 66.7 123.1 -85.5 -5.5 5.8 23.2 -27.9 23 16 A F - 0 0 18 56,-0.1 2,-0.5 54,-0.1 -5,-0.2 -0.385 38.6-177.2 -67.8 127.3 2.8 24.6 -29.6 24 17 A E >> - 0 0 62 -2,-0.2 4,-2.0 1,-0.1 3,-0.8 -0.883 9.6-163.5-127.4 97.2 -0.3 22.3 -29.5 25 18 A F H 3> S+ 0 0 0 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.777 85.9 53.0 -52.4 -37.9 -3.1 24.0 -31.5 26 19 A W H 3> S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.845 108.5 48.8 -73.2 -34.0 -5.9 21.9 -30.1 27 20 A R H <> S+ 0 0 55 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.885 111.5 52.4 -67.5 -38.4 -5.0 22.6 -26.5 28 21 A E H X S+ 0 0 19 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.923 110.5 45.6 -63.3 -47.9 -4.9 26.3 -27.5 29 22 A M H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 6,-0.4 0.874 109.8 56.3 -60.7 -39.7 -8.3 26.1 -29.0 30 23 A A H X S+ 0 0 6 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.891 111.7 42.8 -58.3 -40.8 -9.5 24.2 -25.9 31 24 A R H < S+ 0 0 152 -4,-2.1 3,-0.3 2,-0.2 -2,-0.2 0.941 115.0 49.5 -68.6 -50.5 -8.3 27.1 -23.8 32 25 A I H < S+ 0 0 80 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.867 121.4 33.7 -54.9 -42.3 -9.7 29.8 -26.1 33 26 A T H < S- 0 0 38 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.521 97.1-131.0 -98.4 -8.6 -13.1 28.2 -26.3 34 27 A G < + 0 0 63 -4,-1.0 2,-1.0 -3,-0.3 -3,-0.1 0.492 65.1 133.5 66.8 2.5 -13.4 26.7 -22.8 35 28 A K > - 0 0 86 -6,-0.4 3,-1.0 1,-0.2 4,-0.5 -0.755 31.5-179.9 -82.6 103.6 -14.5 23.5 -24.4 36 29 A R T 3> S+ 0 0 198 -2,-1.0 4,-2.4 1,-0.2 5,-0.2 0.667 71.7 80.4 -81.8 -13.2 -12.3 21.0 -22.5 37 30 A E H 3> S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.783 87.1 60.4 -59.4 -26.6 -13.9 18.2 -24.5 38 31 A I H <> S+ 0 0 0 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.947 108.2 39.4 -65.3 -51.3 -11.4 19.3 -27.2 39 32 A E H > S+ 0 0 66 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.815 115.1 54.8 -71.4 -29.8 -8.3 18.6 -25.1 40 33 A E H X S+ 0 0 104 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.902 109.2 47.1 -65.6 -42.9 -10.0 15.5 -23.7 41 34 A L H X S+ 0 0 11 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.857 110.8 52.6 -67.4 -39.2 -10.5 14.2 -27.3 42 35 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.958 109.6 48.1 -57.7 -54.7 -6.9 15.1 -28.1 43 36 A E H X S+ 0 0 91 -4,-2.6 4,-2.2 1,-0.2 6,-0.2 0.898 113.1 48.7 -52.8 -45.1 -5.7 13.1 -25.1 44 37 A K H <>S+ 0 0 71 -4,-2.3 5,-1.8 1,-0.2 6,-1.1 0.858 111.3 50.2 -63.0 -37.6 -7.9 10.2 -26.1 45 38 A G H <5S+ 0 0 8 -4,-2.1 3,-0.5 2,-0.2 -2,-0.2 0.876 112.1 45.7 -70.5 -41.0 -6.6 10.4 -29.7 46 39 A L H <5S+ 0 0 57 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 111.8 51.6 -67.8 -42.6 -2.9 10.4 -28.7 47 40 A S T <5S- 0 0 72 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.520 110.5-124.2 -73.3 -4.7 -3.4 7.5 -26.2 48 41 A G T 5S+ 0 0 56 -3,-0.5 -3,-0.2 -4,-0.3 -4,-0.1 0.678 73.0 130.0 68.1 18.1 -5.1 5.5 -29.0 49 42 A E S > - 0 0 155 -2,-0.3 4,-2.1 1,-0.1 3,-0.6 -0.323 37.7-126.3 -60.9 132.5 -9.5 6.3 -33.5 52 45 A W H 3> S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.866 107.6 48.5 -43.1 -54.0 -7.4 9.3 -34.5 53 46 A L H 3> S+ 0 0 84 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.848 108.5 54.5 -61.7 -37.2 -9.7 10.5 -37.3 54 47 A D H <> S+ 0 0 72 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.963 112.6 42.9 -61.1 -52.7 -12.8 10.2 -35.1 55 48 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.913 114.5 51.5 -57.5 -46.8 -11.2 12.4 -32.4 56 49 A L H X S+ 0 0 6 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.931 112.1 43.9 -58.9 -51.1 -9.9 14.9 -35.1 57 50 A L H X S+ 0 0 52 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.858 112.3 54.2 -65.9 -35.2 -13.2 15.3 -36.8 58 51 A K H X S+ 0 0 96 -4,-2.3 4,-1.4 -5,-0.3 -2,-0.2 0.934 111.0 45.7 -60.5 -47.0 -15.0 15.6 -33.5 59 52 A R H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.893 111.1 52.3 -61.1 -44.7 -12.6 18.4 -32.5 60 53 A V H < S+ 0 0 1 -4,-2.5 4,-0.3 1,-0.2 3,-0.2 0.929 110.9 47.7 -58.4 -46.0 -13.0 20.1 -35.9 61 54 A G H >< S+ 0 0 41 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.783 107.9 58.3 -64.1 -27.7 -16.7 20.1 -35.4 62 55 A L H 3< S+ 0 0 30 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 109.0 41.1 -70.9 -39.6 -16.3 21.4 -31.9 63 56 A I T >< S+ 0 0 2 -4,-1.8 3,-1.7 -3,-0.2 -1,-0.2 0.306 86.6 137.0 -92.4 10.9 -14.4 24.6 -33.0 64 57 A R T < + 0 0 169 -3,-0.5 68,-0.2 -4,-0.3 3,-0.1 -0.240 64.3 26.0 -62.2 139.9 -16.8 25.2 -36.0 65 58 A G T 3 S+ 0 0 44 66,-3.0 -1,-0.2 1,-0.3 67,-0.1 0.233 85.1 146.3 92.8 -14.7 -17.9 28.7 -36.5 66 59 A I < - 0 0 32 -3,-1.7 65,-2.8 65,-0.2 -1,-0.3 -0.129 58.9 -90.6 -54.8 151.2 -14.8 30.2 -34.8 67 60 A D B > -K 130 0D 57 63,-0.2 4,-2.4 1,-0.1 63,-0.2 -0.378 24.7-133.4 -69.9 142.4 -13.6 33.5 -36.2 68 61 A E H > S+ 0 0 69 61,-2.4 4,-2.7 2,-0.2 5,-0.2 0.957 108.2 43.4 -57.3 -53.3 -11.0 33.4 -39.0 69 62 A G H > S+ 0 0 29 60,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.919 113.0 51.3 -59.1 -47.4 -8.8 36.0 -37.3 70 63 A T H 4 S+ 0 0 48 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.877 111.4 50.2 -56.3 -42.0 -9.2 34.5 -33.9 71 64 A F H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.960 111.3 47.0 -58.3 -57.0 -8.2 31.1 -35.4 72 65 A L H >< S+ 0 0 43 -4,-2.7 3,-2.2 1,-0.3 4,-0.3 0.670 92.5 78.0 -64.2 -22.1 -5.1 32.6 -37.1 73 66 A R G >< S+ 0 0 141 -4,-1.7 3,-2.3 1,-0.3 4,-0.4 0.806 77.8 74.7 -56.9 -28.1 -3.9 34.5 -33.9 74 67 A T G X S+ 0 0 5 -3,-1.4 3,-0.9 -4,-0.5 -1,-0.3 0.715 81.6 71.8 -59.1 -20.6 -2.7 31.1 -32.7 75 68 A R G X S+ 0 0 76 -3,-2.2 3,-2.0 1,-0.2 -1,-0.3 0.823 85.5 64.4 -58.3 -34.4 0.1 31.7 -35.3 76 69 A E G < S+ 0 0 154 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.710 96.5 56.7 -68.4 -19.6 1.5 34.4 -32.9 77 70 A K G < S+ 0 0 98 -3,-0.9 2,-0.5 -4,-0.4 -1,-0.3 0.421 92.7 90.6 -87.1 -0.9 2.2 31.7 -30.4 78 71 A V < + 0 0 6 -3,-2.0 2,-0.4 30,-0.1 -57,-0.1 -0.856 54.4 173.4-102.6 130.2 4.3 29.9 -33.0 79 72 A N - 0 0 125 -2,-0.5 2,-1.3 32,-0.0 -56,-0.1 -0.998 35.3-133.1-141.3 132.3 8.0 30.6 -33.2 80 73 A V - 0 0 26 -2,-0.4 -59,-0.1 -59,-0.1 -2,-0.0 -0.726 36.3-149.3 -81.1 92.8 10.9 29.2 -35.2 81 74 A S > - 0 0 38 -2,-1.3 4,-2.0 -61,-0.5 5,-0.2 -0.174 20.1-117.4 -59.7 157.9 13.4 28.8 -32.4 82 75 A P H > S+ 0 0 106 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.789 115.8 59.5 -73.4 -22.8 17.1 29.2 -33.3 83 76 A E H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.873 105.9 47.3 -64.9 -41.7 17.6 25.6 -32.2 84 77 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 112.1 48.4 -64.6 -51.3 15.1 24.4 -34.7 85 78 A R H X S+ 0 0 110 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.887 111.1 52.6 -54.1 -41.5 16.6 26.4 -37.5 86 79 A E H X S+ 0 0 74 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.907 107.1 52.3 -61.4 -44.7 20.0 25.1 -36.4 87 80 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.955 113.1 43.3 -54.1 -55.7 18.6 21.5 -36.7 88 81 A V H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.935 114.8 48.2 -57.0 -50.9 17.4 22.0 -40.2 89 82 A E H X S+ 0 0 98 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.852 112.2 50.4 -61.6 -36.7 20.5 23.8 -41.4 90 83 A T H X S+ 0 0 9 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.922 107.6 52.9 -65.7 -47.3 22.7 21.1 -39.9 91 84 A L H <>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 -2,-0.2 0.900 109.7 49.9 -51.8 -44.0 20.6 18.4 -41.6 92 85 A R H ><5S+ 0 0 81 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.909 111.6 47.6 -61.8 -45.0 21.3 20.3 -44.9 93 86 A E H 3<5S+ 0 0 132 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.788 106.8 57.6 -63.2 -31.0 25.0 20.4 -44.1 94 87 A K T 3<5S- 0 0 43 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.003 127.1 -99.1 -93.7 25.2 24.9 16.7 -43.2 95 88 A G T < 5S+ 0 0 16 -3,-1.3 -85,-0.4 1,-0.2 -3,-0.2 0.490 77.8 131.6 81.6 6.4 23.6 16.0 -46.7 96 89 A F < - 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