==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 10-SEP-10 2L3A . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR Y.YANG,T.A.RAMELOT,D.LEE,C.CICCOSANTI,K.HAMILTON,T.B.ACTON,R . 164 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 32.3 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 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 38 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 1 1 0 2 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 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 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 1 A M 0 0 237 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.5 15.5 21.0 -26.4 2 2 A K - 0 0 194 1,-0.0 2,-1.5 2,-0.0 0, 0.0 -0.721 360.0-112.9 -91.7 141.7 15.6 17.9 -24.3 3 3 A K > - 0 0 149 -2,-0.3 2,-2.3 1,-0.1 3,-0.5 -0.592 30.5-164.4 -78.8 92.9 13.4 15.0 -25.2 4 4 A M T 3 + 0 0 121 -2,-1.5 -1,-0.1 1,-0.2 3,-0.1 -0.464 63.3 95.6 -81.3 68.4 11.1 15.0 -22.2 5 5 A A T 3 + 0 0 86 -2,-2.3 2,-0.5 1,-0.1 -1,-0.2 0.129 65.0 83.6-134.1 12.2 9.6 11.5 -22.8 6 6 A E < - 0 0 101 -3,-0.5 2,-1.0 2,-0.0 -1,-0.1 -0.872 58.8-166.5-125.9 94.4 12.0 9.8 -20.4 7 7 A F - 0 0 125 -2,-0.5 2,-0.5 -3,-0.1 -3,-0.0 -0.735 20.9-141.1 -82.0 103.7 11.0 9.9 -16.8 8 8 A T - 0 0 80 -2,-1.0 27,-2.9 1,-0.0 2,-0.5 -0.548 17.2-160.8 -72.0 118.3 14.2 8.8 -15.0 9 9 A F E +A 34 0A 161 -2,-0.5 2,-0.4 25,-0.2 25,-0.2 -0.888 18.0 163.5-106.3 126.5 13.2 6.5 -12.1 10 10 A E E -A 33 0A 140 23,-1.2 23,-3.5 -2,-0.5 2,-1.0 -0.991 34.7-133.0-142.6 133.4 15.6 5.9 -9.2 11 11 A I E +A 32 0A 73 -2,-0.4 21,-0.2 21,-0.2 3,-0.1 -0.749 30.9 166.5 -90.1 99.8 15.0 4.5 -5.8 12 12 A E E + 0 0 111 -2,-1.0 2,-0.4 19,-0.8 -1,-0.2 0.697 68.9 38.5 -84.9 -20.6 16.7 6.8 -3.4 13 13 A E E -A 31 0A 72 18,-1.2 18,-3.2 -3,-0.1 2,-0.8 -0.950 61.6-163.7-139.9 115.4 15.0 5.5 -0.3 14 14 A H E -A 30 0A 92 -2,-0.4 16,-0.2 16,-0.2 3,-0.1 -0.875 9.3-173.8 -95.1 109.4 14.0 1.9 0.4 15 15 A L E - 0 0 47 14,-0.8 2,-0.3 -2,-0.8 -1,-0.2 1.000 55.2 -47.7 -66.5 -69.1 11.5 1.9 3.2 16 16 A L E -A 29 0A 27 13,-1.7 13,-2.6 0, 0.0 2,-0.5 -0.973 43.5-113.2-165.4 152.1 11.1 -1.8 4.0 17 17 A T E -A 28 0A 62 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.812 22.8-165.8 -88.1 128.0 10.6 -5.2 2.4 18 18 A L E - 0 0 10 9,-1.6 2,-0.3 -2,-0.5 10,-0.2 0.980 60.7 -37.0 -76.4 -64.9 7.2 -6.6 3.3 19 19 A S E -A 27 0A 39 8,-1.7 8,-2.7 6,-0.1 2,-0.6 -0.978 43.9-124.4-156.3 160.1 7.7 -10.2 2.2 20 20 A E E -A 26 0A 102 -2,-0.3 6,-0.3 6,-0.2 2,-0.2 -0.930 38.0-152.4-112.0 104.0 9.4 -12.3 -0.4 21 21 A N E > -A 25 0A 56 4,-3.1 4,-1.8 -2,-0.6 2,-1.2 -0.531 54.4 -27.1 -87.9 144.1 6.7 -14.5 -1.9 22 22 A E T 4 S- 0 0 147 -2,-0.2 -2,-0.1 1,-0.2 -1,-0.0 -0.421 117.8 -47.8 61.5 -91.5 7.1 -17.9 -3.5 23 23 A K T 4 S+ 0 0 152 -2,-1.2 -1,-0.2 3,-0.0 -2,-0.1 -0.341 130.4 9.1-176.4 76.8 10.7 -17.6 -4.7 24 24 A G T 4 S+ 0 0 21 -3,-0.4 2,-1.3 24,-0.1 -2,-0.1 0.196 91.6 111.1 128.7 -13.0 11.6 -14.4 -6.6 25 25 A W E < -A 21 0A 72 -4,-1.8 -4,-3.1 22,-0.1 2,-0.3 -0.676 47.1-178.1 -93.3 83.1 8.4 -12.4 -6.0 26 26 A T E -AB 20 46A 38 -2,-1.3 20,-3.5 20,-1.1 2,-0.5 -0.657 7.3-167.9 -85.8 136.7 9.6 -9.7 -3.7 27 27 A K E +AB 19 45A 20 -8,-2.7 -8,-1.7 -2,-0.3 -9,-1.6 -0.972 23.7 138.1-130.0 117.6 7.1 -7.3 -2.4 28 28 A E E -AB 17 44A 29 16,-1.9 16,-1.6 -2,-0.5 2,-0.4 -0.878 45.7-111.8-148.9 174.8 8.2 -4.1 -0.7 29 29 A I E +AB 16 43A 0 -13,-2.6 -13,-1.7 -2,-0.3 -14,-0.8 -0.975 40.7 153.1-121.5 130.5 7.6 -0.4 -0.3 30 30 A N E -AB 14 42A 0 12,-2.4 12,-3.2 -2,-0.4 2,-0.6 -0.924 42.6-106.8-146.0 168.4 10.1 2.3 -1.5 31 31 A R E -AB 13 41A 50 -18,-3.2 -18,-1.2 -2,-0.3 -19,-0.8 -0.919 29.0-156.3-105.8 123.2 10.3 5.8 -2.7 32 32 A V E -AB 11 40A 12 8,-2.1 8,-1.6 -2,-0.6 2,-0.8 -0.855 8.4-142.9-101.3 126.8 11.0 6.4 -6.4 33 33 A S E -AB 10 39A 4 -23,-3.5 -23,-1.2 -2,-0.5 2,-0.7 -0.803 11.8-156.2 -89.7 108.3 12.5 9.6 -7.5 34 34 A F E S-A 9 0A 63 4,-2.9 2,-0.8 -2,-0.8 -25,-0.2 -0.804 81.0 -19.0 -88.2 114.1 11.0 10.7 -10.8 35 35 A N S S- 0 0 84 -27,-2.9 -1,-0.2 -2,-0.7 -26,-0.1 -0.147 120.4 -75.4 78.1 -38.2 13.5 12.9 -12.6 36 36 A G S S+ 0 0 36 -2,-0.8 -1,-0.2 2,-0.2 -2,-0.1 -0.355 121.3 53.3 154.5 -65.4 15.1 13.5 -9.2 37 37 A A S S+ 0 0 97 1,-0.2 2,-1.6 -3,-0.1 -2,-0.1 0.949 92.5 71.3 -69.3 -52.8 13.3 15.8 -6.8 38 38 A P + 0 0 67 0, 0.0 -4,-2.9 0, 0.0 2,-0.7 -0.500 59.6 162.6 -72.3 87.6 9.8 14.2 -6.8 39 39 A A E +B 33 0A 15 -2,-1.6 -6,-0.3 -6,-0.3 2,-0.2 -0.901 12.7 164.9-107.9 102.3 10.5 11.0 -4.8 40 40 A K E -B 32 0A 74 -8,-1.6 -8,-2.1 -2,-0.7 2,-0.2 -0.589 40.6 -73.6-116.6 179.3 7.2 9.6 -3.6 41 41 A F E -BC 31 59A 11 18,-0.7 18,-3.3 -10,-0.2 2,-0.4 -0.479 43.2-179.9 -82.2 135.7 6.0 6.3 -2.2 42 42 A D E -BC 30 58A 0 -12,-3.2 -12,-2.4 16,-0.3 2,-0.7 -0.993 17.2-157.6-137.5 126.6 5.5 3.2 -4.4 43 43 A I E +BC 29 57A 0 14,-3.2 14,-2.8 -2,-0.4 2,-0.4 -0.901 32.7 164.4-104.0 107.3 4.3 -0.2 -3.4 44 44 A R E -B 28 0A 66 -16,-1.6 -16,-1.9 -2,-0.7 2,-0.5 -0.938 34.3-141.8-133.7 144.5 5.6 -2.6 -6.0 45 45 A A E -B 27 0A 13 9,-1.3 2,-0.4 -2,-0.4 -18,-0.2 -0.899 20.3-151.5-103.0 134.0 6.1 -6.3 -6.4 46 46 A W E -B 26 0A 101 -20,-3.5 -20,-1.1 -2,-0.5 7,-0.1 -0.826 7.2-145.6-107.5 143.9 9.2 -7.5 -8.3 47 47 A S - 0 0 15 -2,-0.4 -22,-0.1 5,-0.2 3,-0.1 -0.582 18.3-107.7-103.2 165.7 9.4 -10.7 -10.3 48 48 A P S > S- 0 0 46 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.311 76.5 -14.5 -67.7-153.6 12.3 -13.2 -10.9 49 49 A D T 3 S+ 0 0 153 1,-0.2 2,-1.7 2,-0.1 0, 0.0 -0.078 136.7 12.9 -52.2 148.2 14.2 -13.5 -14.1 50 50 A H T 3 S- 0 0 187 -3,-0.1 -1,-0.2 2,-0.0 -3,-0.0 -0.204 106.6-131.2 73.7 -43.4 12.7 -11.9 -17.2 51 51 A T < - 0 0 77 -2,-1.7 2,-0.2 -3,-0.7 -2,-0.1 0.538 26.2-158.1 70.9 137.7 10.3 -10.1 -14.8 52 52 A K - 0 0 123 -4,-0.1 2,-0.5 1,-0.0 -5,-0.2 -0.706 38.8 -49.6-135.9-175.7 6.6 -10.0 -15.3 53 53 A M + 0 0 169 -2,-0.2 3,-0.1 1,-0.1 -7,-0.1 -0.483 50.0 165.2 -67.6 114.7 3.5 -7.9 -14.2 54 54 A G - 0 0 9 -2,-0.5 -9,-1.3 1,-0.3 2,-0.7 -0.143 45.4-123.6-121.4 36.7 3.6 -7.4 -10.5 55 55 A K - 0 0 104 1,-0.1 -1,-0.3 -11,-0.1 84,-0.1 -0.442 32.6-167.6 62.8-101.8 1.1 -4.6 -10.2 56 56 A G - 0 0 1 -2,-0.7 2,-0.5 -13,-0.2 -12,-0.3 0.820 2.7-156.9 81.5 103.9 3.0 -1.8 -8.5 57 57 A I E -C 43 0A 7 -14,-2.8 -14,-3.2 80,-0.1 2,-0.4 -0.946 5.1-145.0-120.8 128.9 1.0 1.2 -7.2 58 58 A T E -C 42 0A 51 -2,-0.5 2,-0.4 -16,-0.3 -16,-0.3 -0.752 14.8-163.7 -93.5 134.7 2.4 4.7 -6.5 59 59 A L E -C 41 0A 0 -18,-3.3 -18,-0.7 -2,-0.4 2,-0.1 -0.909 16.1-124.7-117.8 144.9 1.0 6.7 -3.6 60 60 A S > - 0 0 38 -2,-0.4 4,-2.4 -20,-0.1 5,-0.2 -0.435 30.1-106.5 -83.6 164.1 1.3 10.4 -3.0 61 61 A N H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 117.8 48.9 -56.5 -45.2 2.8 11.8 0.2 62 62 A E H > S+ 0 0 134 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 113.2 44.9 -62.8 -49.8 -0.6 13.0 1.6 63 63 A E H > S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 114.7 49.6 -64.2 -37.9 -2.4 9.7 0.9 64 64 A F H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.921 109.4 50.5 -67.7 -44.8 0.5 7.8 2.4 65 65 A Q H X S+ 0 0 71 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.870 107.6 57.3 -59.4 -37.6 0.6 9.9 5.5 66 66 A T H X S+ 0 0 61 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.951 107.8 43.5 -58.7 -53.2 -3.1 9.4 5.9 67 67 A M H X S+ 0 0 0 -4,-1.8 4,-3.3 1,-0.2 5,-0.3 0.884 109.7 57.5 -64.6 -38.2 -3.0 5.6 6.0 68 68 A V H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.900 106.5 48.5 -61.7 -42.7 0.1 5.6 8.4 69 69 A D H X S+ 0 0 106 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.951 115.9 43.3 -60.6 -49.5 -1.8 7.6 11.0 70 70 A A H < S+ 0 0 33 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.915 116.1 46.3 -65.0 -45.2 -4.9 5.4 10.8 71 71 A F H < S+ 0 0 12 -4,-3.3 3,-0.4 1,-0.2 5,-0.3 0.765 108.7 57.3 -71.8 -24.9 -2.9 2.1 10.8 72 72 A K H < S+ 0 0 42 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.861 106.5 49.8 -69.6 -33.6 -0.7 3.4 13.6 73 73 A G S < S- 0 0 65 -4,-1.5 2,-0.2 -3,-0.2 -1,-0.2 0.518 126.3 -0.2 -84.7 -5.0 -3.8 3.9 15.8 74 74 A N S S+ 0 0 94 -3,-0.4 2,-1.6 -4,-0.4 0, 0.0 -0.728 89.7 75.4-155.5-161.3 -5.2 0.4 15.1 75 75 A L S S+ 0 0 19 -2,-0.2 -3,-0.1 1,-0.2 -4,-0.1 -0.015 76.1 97.2 71.1 -32.1 -4.7 -3.0 13.3 76 76 A E + 0 0 118 -2,-1.6 2,-0.4 -5,-0.3 -1,-0.2 0.360 53.3 120.8 -72.5 8.7 -2.1 -4.0 15.9 77 77 A H S S- 0 0 119 1,-0.1 4,-0.1 2,-0.0 2,-0.0 -0.616 72.1-112.6 -76.9 127.9 -4.7 -6.0 17.8 78 78 A H - 0 0 143 -2,-0.4 2,-2.6 1,-0.1 3,-0.1 -0.328 24.5-115.8 -60.8 137.4 -3.9 -9.7 18.1 79 79 A H S S+ 0 0 172 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.254 105.0 61.0 -75.0 52.7 -6.3 -12.0 16.2 80 80 A H + 0 0 145 -2,-2.6 -1,-0.2 0, 0.0 -2,-0.1 -0.187 53.2 122.5-172.2 66.7 -7.5 -13.6 19.4 81 81 A H 0 0 155 -3,-0.1 -2,-0.1 -4,-0.1 -3,-0.0 0.652 360.0 360.0 -99.7 -25.3 -9.2 -11.0 21.6 82 82 A H 0 0 218 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.040 360.0 360.0-170.6 360.0 -12.5 -12.8 21.7 83 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 1 B M 0 0 237 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.4 -12.6 -30.9 -10.5 85 2 B K - 0 0 182 3,-0.0 2,-1.0 0, 0.0 3,-0.4 -0.989 360.0-105.7-142.0 149.8 -14.4 -28.0 -9.0 86 3 B K S S- 0 0 199 -2,-0.3 3,-0.2 1,-0.3 0, 0.0 -0.665 96.7 -19.7 -82.3 104.2 -18.0 -26.8 -9.3 87 4 B M S S- 0 0 154 -2,-1.0 2,-1.5 1,-0.2 -1,-0.3 0.988 73.3-144.3 61.4 85.2 -17.9 -23.7 -11.5 88 5 B A + 0 0 93 -3,-0.4 2,-0.3 2,-0.0 -1,-0.2 -0.621 51.7 122.8 -83.6 86.7 -14.3 -22.5 -11.3 89 6 B E - 0 0 134 -2,-1.5 2,-0.5 -3,-0.2 -3,-0.0 -0.992 57.1-121.0-146.0 146.8 -14.7 -18.7 -11.4 90 7 B F - 0 0 163 -2,-0.3 2,-0.5 28,-0.0 27,-0.1 -0.771 19.6-165.6 -97.7 130.1 -13.5 -16.0 -9.0 91 8 B T - 0 0 87 -2,-0.5 27,-1.8 2,-0.0 2,-0.4 -0.963 7.0-165.1-114.6 121.6 -16.0 -13.6 -7.4 92 9 B F E +D 117 0B 134 -2,-0.5 2,-0.3 25,-0.2 25,-0.2 -0.878 13.5 164.8-110.4 138.7 -14.7 -10.5 -5.8 93 10 B E E -D 116 0B 130 23,-1.4 23,-2.5 -2,-0.4 2,-0.9 -0.994 43.3-104.6-150.1 149.2 -16.5 -8.2 -3.3 94 11 B I E +D 115 0B 78 -2,-0.3 21,-0.2 21,-0.2 3,-0.1 -0.657 38.7 175.1 -78.2 106.8 -15.7 -5.5 -0.9 95 12 B E E + 0 0 107 19,-2.7 2,-0.4 -2,-0.9 -1,-0.2 0.975 64.2 7.1 -76.2 -60.1 -16.0 -7.1 2.6 96 13 B E E -D 114 0B 91 18,-1.1 18,-2.6 0, 0.0 2,-0.6 -0.991 67.0-134.4-135.2 131.2 -14.8 -4.4 4.9 97 14 B H E +D 113 0B 99 -2,-0.4 16,-0.2 16,-0.2 3,-0.1 -0.748 31.0 166.1 -87.5 117.4 -14.1 -0.7 4.2 98 15 B L E - 0 0 51 14,-1.2 2,-0.4 -2,-0.6 15,-0.2 0.906 56.8 -2.9 -94.3 -71.8 -10.8 0.3 5.9 99 16 B L E -D 112 0B 31 13,-2.8 13,-3.3 -29,-0.0 2,-0.7 -0.976 45.4-152.8-132.5 137.9 -9.5 3.6 4.6 100 17 B T E +D 111 0B 86 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.906 21.5 177.4-106.1 100.7 -10.6 6.1 2.0 101 18 B L E - 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