==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUN-07 2JS3 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; . AUTHOR K.K.SINGARAPU,Y.WU,A.YEE,A.ELETSKY,D.SUKUMARAN,M.GARCIA,R.XI . 192 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15205.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 60.4 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 . 22 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 2 1.0 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 . 33 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 1 0 1 0 0 1 1 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 . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 251 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.1 44.7 9.2 4.0 2 2 A G - 0 0 65 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.916 360.0-144.3-137.1 165.9 41.5 7.2 3.3 3 3 A S - 0 0 116 1,-0.4 0, 0.0 -2,-0.3 0, 0.0 -0.867 61.4 -38.9-139.0 102.1 37.9 7.4 4.3 4 4 A S - 0 0 110 -2,-0.4 -1,-0.4 1,-0.1 3,-0.1 0.253 42.9-177.3 68.8 163.3 35.9 4.1 4.8 5 5 A H + 0 0 160 1,-0.5 2,-0.4 -3,-0.1 -1,-0.1 0.244 66.5 50.4-161.8 -36.6 36.2 0.9 2.7 6 6 A H S S- 0 0 131 2,-0.0 2,-0.8 0, 0.0 -1,-0.5 -0.901 80.0-120.4-115.7 146.7 33.6 -1.5 4.1 7 7 A H - 0 0 166 -2,-0.4 3,-0.1 1,-0.1 -3,-0.0 -0.757 22.1-174.9 -87.6 111.0 29.9 -0.8 4.8 8 8 A H > + 0 0 162 -2,-0.8 3,-0.9 1,-0.2 2,-0.7 0.435 65.7 97.0 -86.6 1.8 29.2 -1.3 8.5 9 9 A H T 3 + 0 0 170 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 -0.054 53.9 104.9 -76.2 36.9 25.5 -0.7 7.8 10 10 A H T 3 + 0 0 152 -2,-0.7 2,-0.5 -3,-0.1 -1,-0.2 0.517 38.5 129.2 -96.3 -10.0 25.4 -4.5 7.7 11 11 A S < - 0 0 91 -3,-0.9 2,-0.8 1,-0.1 -3,-0.0 -0.301 34.4-178.3 -54.8 101.2 23.7 -4.7 11.1 12 12 A S + 0 0 116 -2,-0.5 -1,-0.1 1,-0.1 -2,-0.0 -0.806 34.3 119.2-107.8 87.8 20.8 -7.0 10.5 13 13 A G + 0 0 64 -2,-0.8 2,-0.3 8,-0.0 -1,-0.1 -0.404 28.4 161.0-150.8 67.0 19.0 -7.2 13.8 14 14 A R - 0 0 103 1,-0.1 8,-0.1 10,-0.0 9,-0.1 -0.688 44.8-101.9 -91.4 145.1 15.4 -6.0 13.6 15 15 A E - 0 0 114 -2,-0.3 2,-1.3 6,-0.1 7,-0.4 -0.306 26.7-123.3 -61.8 143.5 12.8 -6.9 16.3 16 16 A N + 0 0 160 5,-0.2 5,-0.2 6,-0.0 2,-0.1 -0.710 60.4 139.4 -89.3 85.3 10.3 -9.6 15.4 17 17 A L B > -A 20 0A 98 3,-2.2 3,-0.7 -2,-1.3 6,-0.1 -0.356 67.7 -73.8-115.4-165.3 7.2 -7.7 16.0 18 18 A Y T 3 S+ 0 0 102 1,-0.3 2,-1.8 -2,-0.1 3,-0.1 0.974 127.6 44.0 -59.9 -60.8 3.7 -7.2 14.4 19 19 A F T 3 S- 0 0 8 1,-0.2 -1,-0.3 -3,-0.0 2,-0.3 -0.435 115.0-112.0 -85.9 62.6 4.9 -5.1 11.4 20 20 A Q B < S+A 17 0A 105 -2,-1.8 -3,-2.2 -3,-0.7 2,-1.6 -0.224 106.8 24.0 49.9-101.5 7.9 -7.3 10.7 21 21 A G S >>>S+ 0 0 3 -2,-0.3 2,-1.3 4,-0.2 3,-1.3 -0.349 85.5 176.4 -88.2 57.8 10.8 -5.1 11.6 22 22 A M T 345 + 0 0 39 -2,-1.6 -2,-0.1 -7,-0.4 -4,-0.1 -0.485 56.8 63.5 -75.6 93.6 8.7 -3.0 13.9 23 23 A T T 345S- 0 0 96 -2,-1.3 -1,-0.2 -4,-0.1 -3,-0.0 0.036 131.8 -22.7-172.7 -41.8 11.2 -0.5 15.4 24 24 A D T X>5S+ 0 0 73 -3,-1.3 3,-0.9 0, 0.0 4,-0.7 0.328 136.5 60.2-148.7 -35.6 12.4 1.5 12.4 25 25 A T H 3X5S+ 0 0 27 -4,-1.0 4,-3.2 1,-0.2 5,-0.3 0.665 86.0 82.9 -72.7 -16.2 11.7 -0.8 9.5 26 26 A A H 3> S+ 0 0 19 -3,-0.9 4,-1.4 -6,-0.2 -1,-0.2 0.797 114.6 53.4 -75.6 -29.7 7.8 2.6 8.6 28 28 A E H X S+ 0 0 65 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.973 106.9 47.8 -68.7 -55.4 9.9 1.2 5.8 29 29 A D H X S+ 0 0 17 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.883 115.2 44.9 -58.0 -44.0 7.9 -1.9 5.0 30 30 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 -5,-0.3 -1,-0.2 0.884 111.6 53.2 -68.3 -37.3 4.5 -0.1 5.0 31 31 A R H X S+ 0 0 64 -4,-1.4 4,-2.7 1,-0.2 -2,-0.2 0.844 103.1 58.7 -67.2 -33.2 6.0 2.7 2.8 32 32 A K H X S+ 0 0 84 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.939 109.4 43.9 -57.7 -48.6 7.2 0.1 0.3 33 33 A I H X S+ 0 0 2 -4,-1.5 4,-3.1 1,-0.2 5,-0.3 0.951 113.6 50.1 -60.0 -52.1 3.6 -1.0 -0.1 34 34 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.874 111.3 49.2 -57.0 -41.3 2.3 2.5 -0.3 35 35 A T H X S+ 0 0 58 -4,-2.7 4,-2.2 2,-0.2 3,-0.2 0.936 115.4 42.6 -65.3 -46.2 4.9 3.5 -2.9 36 36 A A H X S+ 0 0 10 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.924 110.9 54.1 -67.9 -44.9 4.2 0.5 -5.1 37 37 A L H < S+ 0 0 7 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.728 113.3 44.9 -65.4 -24.0 0.4 0.6 -4.8 38 38 A L H >< S+ 0 0 41 -4,-1.1 3,-1.4 -5,-0.3 19,-0.2 0.948 113.7 44.9 -80.1 -57.0 0.4 4.2 -5.9 39 39 A K H 3< S+ 0 0 156 -4,-2.2 3,-0.4 1,-0.3 -2,-0.2 0.807 118.9 40.6 -60.0 -35.9 2.8 4.1 -8.9 40 40 A T T 3< S+ 0 0 38 -4,-2.1 -1,-0.3 1,-0.2 114,-0.1 0.269 107.4 61.4-104.3 12.2 1.4 0.9 -10.5 41 41 A A S < S+ 0 0 7 -3,-1.4 16,-1.4 -5,-0.1 2,-0.5 -0.128 72.4 113.1-131.0 37.2 -2.3 1.6 -10.0 42 42 A I E -B 56 0B 61 -3,-0.4 2,-0.5 14,-0.2 14,-0.2 -0.953 47.2-160.1-112.8 123.6 -2.8 4.8 -12.0 43 43 A E E -B 55 0B 79 12,-1.2 12,-1.1 -2,-0.5 2,-0.8 -0.893 13.4-139.0-106.3 128.5 -4.9 4.7 -15.1 44 44 A I E -B 54 0B 132 -2,-0.5 2,-0.5 10,-0.2 10,-0.2 -0.759 22.7-152.6 -82.7 112.6 -4.7 7.4 -17.8 45 45 A V E -B 53 0B 45 8,-1.8 8,-2.9 -2,-0.8 2,-0.6 -0.757 1.3-149.6 -92.4 127.7 -8.2 8.1 -18.9 46 46 A S E -B 52 0B 100 -2,-0.5 2,-0.4 6,-0.2 6,-0.2 -0.877 14.5-159.9 -98.9 123.5 -8.7 9.4 -22.4 47 47 A E - 0 0 85 4,-2.2 3,-0.2 -2,-0.6 -2,-0.0 -0.856 21.5-163.9-108.9 132.9 -11.7 11.6 -22.7 48 48 A E S S+ 0 0 204 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.714 100.5 50.6 -82.3 -22.7 -13.5 12.4 -26.0 49 49 A D S S- 0 0 140 2,-0.1 -1,-0.2 -3,-0.1 2,-0.1 0.370 137.7 -5.6 -92.4 2.0 -15.2 15.4 -24.2 50 50 A G S S- 0 0 55 -3,-0.2 2,-0.2 1,-0.1 -4,-0.1 -0.089 93.0 -95.2-151.6-102.8 -11.7 16.5 -23.1 51 51 A G - 0 0 25 -6,-0.1 -4,-2.2 -2,-0.1 2,-0.5 -0.857 59.0 -30.8-168.3-156.6 -8.4 14.8 -23.5 52 52 A A E -B 46 0B 46 -6,-0.2 13,-0.6 -2,-0.2 2,-0.4 -0.694 58.6-174.3 -83.9 123.1 -5.9 12.5 -21.8 53 53 A H E -BC 45 64B 94 -8,-2.9 -8,-1.8 -2,-0.5 2,-0.8 -0.934 25.2-133.3-121.7 143.3 -5.9 12.9 -18.0 54 54 A N E +BC 44 63B 21 9,-1.2 9,-2.5 -2,-0.4 2,-0.4 -0.842 38.2 167.1 -94.7 108.9 -3.7 11.4 -15.3 55 55 A Q E -BC 43 62B 61 -12,-1.1 -12,-1.2 -2,-0.8 7,-0.2 -0.986 31.5-127.6-131.1 128.3 -6.0 10.1 -12.6 56 56 A C E > -B 42 0B 13 5,-2.6 3,-2.7 -2,-0.4 -14,-0.2 -0.412 36.1-100.2 -73.2 152.7 -5.2 7.8 -9.7 57 57 A K T 3 S+ 0 0 32 -16,-1.4 -15,-0.1 1,-0.3 -1,-0.1 0.804 120.7 36.0 -38.0 -56.3 -7.3 4.7 -9.1 58 58 A L T 3 S- 0 0 52 1,-0.1 -1,-0.3 17,-0.0 22,-0.1 0.232 109.2-115.9 -92.4 15.0 -9.5 6.0 -6.3 59 59 A C S < S+ 0 0 68 -3,-2.7 -2,-0.1 2,-0.2 3,-0.1 0.589 80.5 128.6 63.6 11.6 -9.7 9.5 -7.8 60 60 A G S S+ 0 0 1 1,-0.2 15,-1.9 14,-0.1 2,-0.3 0.586 73.5 28.1 -74.8 -10.2 -7.8 10.7 -4.6 61 61 A A - 0 0 3 13,-0.2 -5,-2.6 -5,-0.2 2,-0.4 -0.967 65.4-179.1-152.6 132.4 -5.3 12.4 -6.8 62 62 A S E +C 55 0B 70 -2,-0.3 11,-0.4 -7,-0.2 -7,-0.2 -0.999 7.3 169.6-136.3 135.0 -5.5 14.0 -10.2 63 63 A V E -C 54 0B 10 -9,-2.5 -9,-1.2 -2,-0.4 9,-0.1 -0.997 40.7 -92.9-144.7 141.9 -2.8 15.7 -12.2 64 64 A P E > -C 53 0B 81 0, 0.0 3,-2.7 0, 0.0 4,-0.3 -0.201 41.2-112.9 -48.2 147.0 -2.3 17.0 -15.9 65 65 A W T 3 S+ 0 0 175 -13,-0.6 -12,-0.1 1,-0.3 -10,-0.0 0.595 111.9 80.8 -65.9 -9.2 -0.8 14.4 -18.2 66 66 A L T 3 S- 0 0 132 -12,-0.0 -1,-0.3 0, 0.0 0, 0.0 0.715 99.9-137.7 -65.5 -21.5 2.2 16.8 -18.4 67 67 A Q < + 0 0 109 -3,-2.7 -2,-0.1 2,-0.0 3,-0.1 0.958 45.3 164.7 65.0 96.6 3.1 15.1 -15.0 68 68 A T - 0 0 71 -4,-0.3 2,-1.9 3,-0.1 4,-0.1 0.736 17.3-179.3 -99.9 -43.4 4.4 17.3 -12.2 69 69 A G + 0 0 29 2,-0.2 3,-0.1 1,-0.2 -1,-0.1 -0.236 64.3 68.5 82.1 -50.9 3.8 14.6 -9.6 70 70 A D S S+ 0 0 103 -2,-1.9 2,-1.2 1,-0.2 -1,-0.2 0.971 94.8 52.5 -68.0 -55.9 4.9 16.6 -6.6 71 71 A E S S+ 0 0 145 22,-0.0 2,-0.4 0, 0.0 -2,-0.2 -0.690 74.8 136.4 -90.1 94.0 2.2 19.2 -6.4 72 72 A I - 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