==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-SEP-12 4H1X . COMPND 2 MOLECULE: PHOSPHATE-BINDING PROTEIN PSTS 2; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 12.8 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 . 2 0.8 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 1 0 0 1 1 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 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 PARALLEL BRIDGES PER LADDER . 3 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 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 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 35 A G 0 0 67 0, 0.0 252,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-175.9 3.5 -14.8 8.9 2 36 A T B -A 252 0A 102 250,-0.2 250,-0.3 251,-0.1 2,-0.2 -0.525 360.0-120.2 -71.3 125.9 2.5 -11.1 9.4 3 37 A I - 0 0 11 248,-2.8 2,-0.8 -2,-0.3 56,-0.2 -0.487 17.7-149.2 -71.3 129.0 5.4 -8.7 10.2 4 38 A E E -b 59 0B 63 54,-2.5 56,-2.1 -2,-0.2 2,-0.5 -0.882 14.4-152.4-100.4 100.7 4.9 -6.9 13.6 5 39 A V E -b 60 0B 7 -2,-0.8 36,-2.1 54,-0.2 2,-0.6 -0.663 3.7-156.6 -78.3 124.0 6.6 -3.5 13.1 6 40 A I E -e 41 0C 1 54,-3.2 56,-0.3 -2,-0.5 2,-0.3 -0.921 14.7-172.7-101.1 116.1 8.0 -2.1 16.4 7 41 A S E -e 42 0C 0 34,-3.2 36,-2.4 -2,-0.6 2,-0.1 -0.781 23.6-118.4-105.2 153.5 8.3 1.7 16.2 8 42 A R E -e 43 0C 25 -2,-0.3 36,-0.2 34,-0.2 3,-0.1 -0.421 49.0 -82.1 -79.4 163.6 9.9 4.0 18.8 9 43 A E > - 0 0 59 34,-0.9 3,-2.0 1,-0.1 6,-0.2 -0.257 56.7 -82.7 -65.8 155.0 7.6 6.7 20.4 10 44 A N T 3 S+ 0 0 139 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.376 119.1 26.1 -58.1 132.0 6.9 10.0 18.6 11 45 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.253 84.3 144.5 94.1 -10.5 9.7 12.5 19.2 12 46 A S <> - 0 0 10 -3,-2.0 4,-2.2 1,-0.1 -1,-0.3 -0.397 49.3-141.9 -58.9 132.9 12.3 9.8 19.8 13 47 A G H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.888 103.4 52.1 -64.8 -37.4 15.7 10.9 18.4 14 48 A T H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.902 109.7 49.7 -65.4 -39.3 16.4 7.3 17.2 15 49 A R H > S+ 0 0 32 -6,-0.2 4,-2.8 2,-0.2 5,-0.3 0.918 110.1 51.1 -62.8 -45.0 13.0 7.3 15.4 16 50 A G H X S+ 0 0 32 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.920 114.2 43.3 -57.5 -47.3 13.9 10.6 13.8 17 51 A A H X S+ 0 0 10 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.945 114.8 48.8 -64.9 -51.5 17.3 9.3 12.6 18 52 A F H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 6,-0.3 0.927 114.3 44.4 -55.0 -52.7 15.9 6.0 11.4 19 53 A T H X>S+ 0 0 2 -4,-2.8 6,-2.1 2,-0.2 5,-1.4 0.859 115.9 48.3 -65.9 -34.8 13.0 7.5 9.4 20 54 A E H ><5S+ 0 0 97 -4,-2.0 3,-0.7 -5,-0.3 -2,-0.2 0.960 113.8 45.3 -66.7 -52.8 15.2 10.2 7.9 21 55 A I H 3<5S+ 0 0 51 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.883 116.5 44.6 -59.9 -43.3 18.0 7.8 6.8 22 56 A T H 3<5S- 0 0 15 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.582 112.4-118.9 -77.2 -12.8 15.6 5.2 5.3 23 57 A G T <<5S+ 0 0 22 -3,-0.7 -3,-0.2 -4,-0.7 -4,-0.1 0.601 80.9 122.9 82.6 14.5 13.6 8.0 3.6 24 58 A I < + 0 0 5 -5,-1.4 11,-2.6 -6,-0.3 2,-0.8 0.758 65.4 67.5 -74.0 -28.2 10.3 7.1 5.5 25 59 A L E S-F 34 0D 36 -6,-2.1 2,-0.3 9,-0.2 9,-0.2 -0.880 76.7-179.6 -96.6 104.2 10.3 10.8 6.7 26 60 A K E -F 33 0D 117 7,-2.4 7,-3.3 -2,-0.8 2,-0.6 -0.877 22.6-142.4-110.0 143.7 9.7 12.8 3.6 27 61 A K E -F 32 0D 51 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.924 13.2-176.7-110.2 111.4 9.5 16.6 3.2 28 62 A D S S- 0 0 91 3,-1.8 2,-0.4 -2,-0.6 4,-0.1 -0.552 79.8 -44.5 -99.6 59.6 6.8 17.9 0.8 29 63 A G S S- 0 0 61 -2,-0.7 -2,-0.0 1,-0.1 0, 0.0 -0.950 116.9 -25.9 116.7-132.3 8.0 21.5 1.4 30 64 A D S S+ 0 0 174 -2,-0.4 2,-0.5 -3,-0.1 -1,-0.1 0.062 121.6 89.5-101.3 21.9 8.7 22.8 5.0 31 65 A K - 0 0 59 2,-0.0 -3,-1.8 0, 0.0 2,-0.4 -0.987 67.9-152.2-121.7 115.4 6.2 20.1 6.2 32 66 A K E -F 27 0D 117 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.793 3.4-157.7 -93.8 131.2 7.6 16.6 7.0 33 67 A I E -F 26 0D 94 -7,-3.3 -7,-2.4 -2,-0.4 2,-0.8 -0.952 7.6-148.6-111.1 121.2 5.4 13.5 6.8 34 68 A D E -F 25 0D 53 -2,-0.5 -9,-0.2 -9,-0.2 -10,-0.1 -0.821 8.7-168.3 -88.8 108.5 6.5 10.3 8.8 35 69 A N + 0 0 74 -11,-2.6 3,-0.1 -2,-0.8 -10,-0.1 0.206 29.7 149.8 -87.4 19.5 5.3 7.4 6.7 36 70 A T - 0 0 16 1,-0.1 211,-0.3 2,-0.1 210,-0.1 -0.259 65.6 -84.1 -51.5 130.9 5.9 4.8 9.5 37 71 A A > - 0 0 8 209,-3.3 3,-1.2 1,-0.2 211,-0.2 -0.070 31.2-138.7 -40.7 128.8 3.4 2.0 9.1 38 72 A K T 3 S+ 0 0 210 209,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.655 104.1 58.5 -68.1 -15.1 0.1 2.9 10.7 39 73 A T T 3 S+ 0 0 115 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.585 80.6 118.2 -86.4 -14.3 -0.1 -0.7 12.1 40 74 A A < - 0 0 17 -3,-1.2 2,-0.2 206,-0.1 -34,-0.2 -0.237 58.9-139.0 -58.8 136.1 3.2 -0.3 14.0 41 75 A V E -e 6 0C 67 -36,-2.1 -34,-3.2 1,-0.0 2,-0.4 -0.643 22.1-117.4 -91.2 159.4 3.1 -0.7 17.8 42 76 A I E -e 7 0C 94 -2,-0.2 2,-0.4 -36,-0.2 -34,-0.2 -0.830 22.9-172.5-108.3 140.3 5.1 1.6 20.0 43 77 A Q E -e 8 0C 55 -36,-2.4 -34,-0.9 -2,-0.4 6,-0.1 -0.963 17.1-148.4-124.3 136.7 8.0 1.0 22.4 44 78 A N S S+ 0 0 113 -2,-0.4 2,-0.3 -36,-0.2 -36,-0.1 0.435 72.6 17.6 -86.4 -4.8 9.2 3.9 24.6 45 79 A S S > S- 0 0 27 1,-0.1 4,-2.2 -33,-0.0 5,-0.1 -0.982 79.9 -98.3-157.6 171.3 12.9 2.8 24.9 46 80 A T H > S+ 0 0 21 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.903 124.7 50.9 -58.8 -45.6 15.8 0.7 23.6 47 81 A E H > S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 109.1 51.5 -59.9 -40.3 15.0 -1.9 26.4 48 82 A G H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.897 109.7 48.2 -65.9 -41.7 11.3 -1.9 25.3 49 83 A V H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.966 112.6 49.6 -63.2 -50.0 12.2 -2.5 21.6 50 84 A L H X S+ 0 0 24 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.894 112.9 46.9 -53.9 -47.2 14.6 -5.4 22.7 51 85 A S H X S+ 0 0 80 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.880 113.3 47.9 -62.6 -46.8 11.9 -7.0 24.9 52 86 A A H X S+ 0 0 9 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.883 115.6 44.2 -63.3 -42.7 9.2 -6.7 22.2 53 87 A V H >< S+ 0 0 0 -4,-2.7 3,-0.9 2,-0.2 6,-0.3 0.946 116.4 45.8 -70.8 -45.4 11.5 -8.2 19.5 54 88 A Q H 3< S+ 0 0 105 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.841 114.5 51.9 -61.1 -33.9 12.7 -11.0 21.8 55 89 A G H 3< S+ 0 0 55 -4,-1.9 2,-0.4 -5,-0.2 -1,-0.2 0.525 108.6 50.1 -82.3 -9.6 9.1 -11.6 22.9 56 90 A N X< - 0 0 68 -3,-0.9 3,-1.8 -4,-0.6 173,-0.2 -0.952 64.5-152.3-139.1 117.2 7.5 -12.0 19.5 57 91 A A T 3 S+ 0 0 48 -2,-0.4 172,-0.4 1,-0.3 -1,-0.1 0.734 98.6 47.3 -54.9 -32.5 8.8 -14.3 16.6 58 92 A N T 3 S+ 0 0 70 170,-0.1 -54,-2.5 -56,-0.1 -1,-0.3 0.294 90.1 114.6 -93.7 6.2 7.3 -12.0 13.9 59 93 A A E < -b 4 0B 0 -3,-1.8 170,-0.7 -6,-0.3 2,-0.3 -0.410 39.5-174.5 -87.6 156.6 8.6 -8.7 15.2 60 94 A I E +bC 5 228B 2 -56,-2.1 -54,-3.2 168,-0.2 2,-0.3 -0.987 15.4 153.6-141.6 140.2 11.1 -6.2 13.8 61 95 A G E - C 0 227B 0 166,-2.2 166,-2.5 -2,-0.3 2,-0.4 -0.862 33.4-116.3-152.3-178.5 12.5 -3.1 15.4 62 96 A Y E + C 0 226B 3 -56,-0.3 2,-0.3 -2,-0.3 164,-0.2 -0.991 28.9 170.2-133.3 142.3 15.5 -0.7 15.5 63 97 A I E - C 0 225B 1 162,-2.4 162,-3.1 -2,-0.4 5,-0.1 -0.957 46.4 -79.6-141.6 162.3 17.9 0.1 18.3 64 98 A S E > - C 0 224B 20 -2,-0.3 3,-1.8 160,-0.2 160,-0.3 -0.414 45.9-125.4 -59.0 132.1 21.2 2.0 18.9 65 99 A L G > S+ 0 0 20 158,-3.0 3,-1.8 1,-0.3 -1,-0.1 0.854 107.8 61.1 -53.2 -39.8 23.9 -0.4 17.6 66 100 A G G 3 S+ 0 0 29 157,-0.3 -1,-0.3 1,-0.3 65,-0.1 0.630 99.4 57.9 -62.7 -16.4 25.8 -0.3 21.0 67 101 A S G < S+ 0 0 42 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.385 76.6 126.5 -94.9 0.1 22.7 -1.7 22.7 68 102 A L < + 0 0 64 -3,-1.8 2,-0.3 -4,-0.2 5,-0.0 -0.349 35.8 179.7 -62.5 135.3 22.6 -4.9 20.6 69 103 A T > - 0 0 65 -2,-0.0 3,-1.4 -19,-0.0 5,-0.1 -0.886 45.1-103.3-129.9 169.1 22.5 -8.2 22.6 70 104 A K T 3 S+ 0 0 183 -2,-0.3 -2,-0.1 1,-0.2 160,-0.0 0.528 108.8 80.2 -66.5 -10.8 22.4 -12.0 21.9 71 105 A S T 3 S+ 0 0 31 158,-0.0 159,-0.5 159,-0.0 2,-0.3 0.575 102.4 29.6 -75.4 -12.7 18.6 -11.9 22.8 72 106 A V S < S- 0 0 5 -3,-1.4 2,-0.5 157,-0.1 157,-0.2 -0.896 82.5-119.6-136.9 170.1 17.8 -10.5 19.3 73 107 A K E -D 228 0B 58 155,-3.0 155,-2.6 -2,-0.3 2,-0.4 -0.957 18.0-138.9-119.0 125.3 19.4 -10.8 15.8 74 108 A A E -D 227 0B 31 -2,-0.5 153,-0.2 153,-0.2 2,-0.2 -0.664 22.2-132.7 -80.8 130.0 20.7 -7.8 13.8 75 109 A L - 0 0 1 151,-3.2 151,-0.4 -2,-0.4 7,-0.3 -0.520 17.0-117.9 -75.6 149.7 19.8 -8.0 10.1 76 110 A E E -g 236 0E 67 159,-2.9 161,-2.4 -2,-0.2 2,-0.5 -0.659 26.2-144.8 -81.1 144.6 22.5 -7.3 7.5 77 111 A I E > S-gH 237 80E 0 3,-2.3 3,-1.7 -2,-0.3 161,-0.2 -0.978 79.2 -10.5-117.7 120.2 21.6 -4.2 5.4 78 112 A D T 3 S- 0 0 90 159,-2.0 -1,-0.2 -2,-0.5 160,-0.1 0.881 130.7 -58.1 59.4 39.1 22.6 -4.4 1.7 79 113 A G T 3 S+ 0 0 40 158,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.477 112.1 126.1 69.1 8.5 24.6 -7.5 2.6 80 114 A V B < -H 77 0E 20 -3,-1.7 -3,-2.3 11,-0.1 2,-0.4 -0.866 55.0-139.3-102.9 125.5 26.7 -5.5 5.2 81 115 A K - 0 0 139 -2,-0.5 5,-0.2 -5,-0.2 2,-0.2 -0.673 26.4-114.4 -82.4 128.6 26.9 -6.7 8.9 82 116 A A + 0 0 13 -2,-0.4 2,-0.3 -7,-0.3 3,-0.1 -0.443 59.5 129.0 -65.3 126.3 26.6 -3.9 11.5 83 117 A S S > S- 0 0 39 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.961 72.5 -90.9-166.4 166.8 29.9 -3.5 13.4 84 118 A R H > S+ 0 0 175 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.913 125.1 49.5 -46.5 -51.9 32.5 -1.0 14.6 85 119 A D H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 6,-0.2 0.849 112.6 43.2 -61.7 -43.7 34.5 -1.7 11.4 86 120 A T H 4>S+ 0 0 18 -5,-0.2 6,-2.7 2,-0.2 5,-0.8 0.751 115.5 49.2 -80.5 -22.2 31.6 -1.3 8.8 87 121 A V H ><5S+ 0 0 0 -4,-2.3 3,-1.3 4,-0.2 -2,-0.2 0.949 113.2 48.0 -74.9 -48.9 30.3 1.8 10.6 88 122 A L H 3<5S+ 0 0 75 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.904 114.6 43.7 -55.4 -49.0 33.8 3.4 10.6 89 123 A D T 3<5S- 0 0 95 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.414 112.6-118.5 -81.9 3.8 34.6 2.6 6.9 90 124 A G T < 5S+ 0 0 52 -3,-1.3 -3,-0.2 -4,-0.1 -4,-0.1 0.513 81.9 118.9 73.5 7.3 31.1 3.8 5.9 91 125 A E < + 0 0 110 -5,-0.8 -4,-0.2 -6,-0.2 -11,-0.1 0.853 62.8 70.1 -68.2 -37.7 30.0 0.4 4.4 92 126 A Y S S- 0 0 0 -6,-2.7 -2,-0.1 -9,-0.1 -14,-0.1 -0.756 70.9-165.0 -84.8 115.9 27.1 0.2 6.9 93 127 A P + 0 0 43 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 0.725 65.6 83.0 -81.7 -22.4 24.5 2.9 5.9 94 128 A L S S+ 0 0 0 130,-0.2 130,-2.6 -17,-0.1 2,-0.3 -0.628 73.4 103.1 -84.6 82.6 22.2 3.2 9.0 95 129 A Q E -I 223 0F 42 -2,-1.7 128,-0.2 128,-0.3 126,-0.0 -0.981 46.2-166.1-156.3 158.5 24.4 5.5 11.0 96 130 A R E -I 222 0F 19 126,-1.8 126,-3.0 -2,-0.3 2,-0.2 -0.991 24.4-113.7-146.9 151.0 24.7 9.2 11.9 97 131 A P E -I 221 0F 35 0, 0.0 2,-0.8 0, 0.0 124,-0.2 -0.554 12.5-140.2 -84.2 151.6 27.4 11.4 13.4 98 132 A F E -I 220 0F 2 122,-2.9 121,-2.3 -2,-0.2 122,-1.0 -0.950 35.4-170.5-104.5 98.1 27.2 13.0 16.8 99 133 A N E -IJ 218 202F 6 103,-3.0 103,-3.0 -2,-0.8 2,-0.3 -0.791 20.2-157.7 -93.8 144.8 28.7 16.4 16.0 100 134 A I E -IJ 217 201F 0 117,-2.3 117,-2.2 -2,-0.4 2,-0.3 -0.865 17.8-162.2-109.2 143.8 29.7 19.2 18.3 101 135 A V E +IJ 216 200F 0 99,-2.3 99,-2.8 -2,-0.3 2,-0.3 -0.974 14.3 165.8-130.9 147.4 29.9 22.7 16.7 102 136 A W E -I 215 0F 45 113,-2.0 113,-2.6 -2,-0.3 2,-0.2 -0.948 17.2-146.5-151.5 168.2 31.6 25.9 17.8 103 137 A S > - 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