==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-DEC-09 2KRU . COMPND 2 MOLECULE: LIGHT-INDEPENDENT PROTOCHLOROPHYLLIDE REDUCTASE S . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROBACULUM TEPIDUM; . AUTHOR Y.HE,A.ELETSKY,D.LEE,C.CICCOSANTI,H.JANJUA,T.B.ACTON,R.XIAO, . 63 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 44 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 6 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 47.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.6 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 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 222 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.8 9.7 -13.6 -3.8 2 2 A G + 0 0 38 2,-0.1 2,-0.3 0, 0.0 0, 0.0 0.069 360.0 102.5-135.9 21.7 8.9 -11.9 -0.5 3 3 A E - 0 0 136 1,-0.1 2,-0.1 3,-0.0 24,-0.0 -0.757 66.6-121.3-107.2 153.3 6.5 -9.2 -1.7 4 4 A L - 0 0 34 -2,-0.3 2,-0.6 1,-0.1 36,-0.2 -0.260 40.4 -84.9 -81.0 176.5 2.7 -9.1 -1.5 5 5 A S E -a 40 0A 66 34,-2.8 36,-2.8 25,-0.1 2,-0.5 -0.760 44.5-159.1 -87.1 121.5 0.3 -8.9 -4.4 6 6 A W E -a 41 0A 37 -2,-0.6 2,-0.2 34,-0.2 36,-0.1 -0.883 3.2-149.6-106.5 132.1 -0.2 -5.3 -5.5 7 7 A T > - 0 0 34 34,-1.8 4,-2.5 -2,-0.5 3,-0.4 -0.633 26.3-116.1 -98.2 157.6 -3.3 -4.3 -7.5 8 8 A A H > S+ 0 0 75 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.756 114.4 62.8 -61.0 -25.2 -3.6 -1.5 -10.0 9 9 A E H > S+ 0 0 120 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.929 109.4 37.0 -66.2 -46.4 -6.0 0.2 -7.6 10 10 A A H >> S+ 0 0 0 -3,-0.4 4,-1.9 31,-0.4 3,-0.6 0.910 117.1 51.6 -72.5 -42.3 -3.4 0.6 -4.9 11 11 A E H 3X S+ 0 0 72 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.808 100.4 63.6 -66.8 -30.5 -0.6 1.4 -7.3 12 12 A K H 3< S+ 0 0 150 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.858 109.1 41.0 -60.3 -35.3 -2.7 4.1 -9.0 13 13 A M H X< S+ 0 0 58 -4,-0.8 3,-1.2 -3,-0.6 -2,-0.2 0.844 113.2 53.1 -80.0 -35.4 -2.7 6.0 -5.7 14 14 A L H >< S+ 0 0 2 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.798 98.0 66.2 -69.3 -28.4 1.0 5.2 -5.0 15 15 A G T 3< S+ 0 0 34 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.604 91.8 62.9 -68.9 -10.8 1.8 6.6 -8.4 16 16 A K T < S+ 0 0 160 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.403 91.5 85.4 -89.7 0.1 0.7 9.9 -7.1 17 17 A V S < S- 0 0 35 -3,-1.9 5,-0.1 1,-0.1 -3,-0.0 -0.876 92.4-101.7-107.6 132.0 3.6 9.7 -4.6 18 18 A P >> - 0 0 65 0, 0.0 3,-2.2 0, 0.0 4,-1.1 -0.172 32.2-116.6 -50.4 142.7 7.2 10.8 -5.4 19 19 A F H 3> S+ 0 0 162 1,-0.3 4,-0.6 2,-0.2 3,-0.1 0.761 112.1 58.8 -56.9 -29.0 9.5 8.0 -6.2 20 20 A F H 34 S+ 0 0 147 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.590 115.5 34.3 -82.4 -8.7 11.8 8.7 -3.2 21 21 A V H <> S+ 0 0 47 -3,-2.2 4,-1.6 2,-0.1 -1,-0.2 0.380 95.4 86.4-120.7 -1.2 8.9 8.2 -0.8 22 22 A R H X S+ 0 0 97 -4,-1.1 4,-3.5 1,-0.2 5,-0.2 0.893 90.1 51.2 -62.1 -39.9 7.0 5.5 -2.7 23 23 A K H X S+ 0 0 144 -4,-0.6 4,-2.1 1,-0.2 5,-0.4 0.822 103.9 58.7 -69.9 -30.8 9.2 2.9 -1.0 24 24 A K H > S+ 0 0 138 2,-0.2 4,-0.9 3,-0.2 -1,-0.2 0.918 117.2 32.4 -61.5 -45.4 8.4 4.4 2.4 25 25 A V H X S+ 0 0 29 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.950 119.5 50.7 -75.8 -50.7 4.7 3.8 1.8 26 26 A R H X S+ 0 0 82 -4,-3.5 4,-1.9 1,-0.2 -3,-0.2 0.877 114.0 43.4 -61.3 -43.1 4.9 0.6 -0.3 27 27 A K H X S+ 0 0 127 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.869 114.4 51.6 -70.2 -35.1 7.2 -1.3 2.1 28 28 A N H X S+ 0 0 60 -4,-0.9 4,-2.2 -5,-0.4 -2,-0.2 0.934 111.6 46.0 -67.7 -45.3 5.1 -0.1 5.1 29 29 A T H X S+ 0 0 1 -4,-3.2 4,-3.2 2,-0.2 5,-0.3 0.853 107.9 58.5 -64.0 -35.6 1.9 -1.3 3.4 30 30 A D H X S+ 0 0 20 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.954 112.6 39.0 -58.1 -47.9 3.6 -4.5 2.6 31 31 A N H X S+ 0 0 101 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.832 115.2 55.3 -70.5 -31.0 4.3 -5.0 6.3 32 32 A Y H X S+ 0 0 29 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.947 107.3 46.4 -69.0 -48.7 0.8 -3.7 7.2 33 33 A A H X>S+ 0 0 0 -4,-3.2 5,-3.6 1,-0.2 4,-1.5 0.891 113.2 50.2 -62.9 -39.1 -1.1 -6.1 5.0 34 34 A R H <5S+ 0 0 127 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.889 108.5 54.0 -64.9 -37.6 0.9 -9.0 6.3 35 35 A E H <5S+ 0 0 145 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.895 114.4 39.4 -63.7 -41.1 0.2 -7.8 9.8 36 36 A I H <5S- 0 0 83 -4,-2.1 -1,-0.2 2,-0.1 -2,-0.2 0.646 121.6-106.0 -85.0 -16.4 -3.6 -7.8 9.3 37 37 A G T <5S+ 0 0 61 -4,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.826 71.9 137.5 96.4 38.0 -3.5 -11.0 7.2 38 38 A E < - 0 0 69 -5,-3.6 -1,-0.2 1,-0.1 -2,-0.1 -0.957 31.6-174.4-120.8 112.7 -4.0 -9.7 3.7 39 39 A P S S+ 0 0 79 0, 0.0 -34,-2.8 0, 0.0 2,-0.6 0.724 76.2 59.0 -73.8 -22.4 -1.8 -11.2 0.9 40 40 A V E S-a 5 0A 49 -36,-0.2 2,-0.9 -7,-0.1 -34,-0.2 -0.924 75.8-145.3-118.9 113.3 -3.2 -8.7 -1.7 41 41 A V E +a 6 0A 0 -36,-2.8 -34,-1.8 -2,-0.6 -31,-0.4 -0.643 31.6 173.6 -77.2 106.6 -2.8 -5.0 -1.2 42 42 A T > - 0 0 39 -2,-0.9 4,-2.7 -36,-0.1 5,-0.2 -0.390 50.2 -92.9-101.0-176.1 -6.0 -3.5 -2.6 43 43 A A H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.873 128.7 51.0 -65.6 -36.2 -7.3 0.1 -2.7 44 44 A D H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.915 111.4 46.4 -66.5 -44.3 -9.2 -0.7 0.5 45 45 A V H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.924 113.5 48.5 -64.0 -44.9 -6.1 -2.1 2.2 46 46 A F H X S+ 0 0 11 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.888 111.4 52.1 -61.1 -39.3 -4.0 0.9 1.1 47 47 A R H X S+ 0 0 80 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.950 112.2 43.7 -60.9 -51.3 -6.8 3.1 2.4 48 48 A K H X S+ 0 0 108 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.883 115.0 50.3 -62.5 -40.4 -6.8 1.4 5.8 49 49 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.921 110.0 50.0 -63.3 -44.4 -3.0 1.5 5.8 50 50 A K H X S+ 0 0 54 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.936 112.3 46.5 -61.2 -48.0 -3.0 5.2 5.0 51 51 A E H X S+ 0 0 91 -4,-2.6 4,-1.1 3,-0.2 -1,-0.2 0.854 113.4 51.2 -60.9 -35.4 -5.5 6.0 7.7 52 52 A H H < S+ 0 0 115 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.907 117.7 36.2 -69.1 -43.7 -3.4 3.8 10.1 53 53 A L H < S- 0 0 75 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.874 146.0 -39.7 -78.7 -39.4 -0.1 5.5 9.3 54 54 A G H < - 0 0 33 -4,-3.3 2,-1.6 -5,-0.3 3,-0.3 -0.084 56.4-178.8 169.4 76.2 -1.5 9.0 8.9 55 55 A G < + 0 0 33 -4,-1.1 -4,-0.1 1,-0.2 -5,-0.0 -0.597 31.0 140.6 -88.5 76.6 -4.9 9.5 7.2 56 56 A L + 0 0 148 -2,-1.6 -1,-0.2 -6,-0.1 2,-0.1 0.562 37.0 105.2 -95.5 -11.9 -4.9 13.3 7.5 57 57 A E - 0 0 79 -3,-0.3 2,-0.6 1,-0.1 -3,-0.0 -0.434 62.6-145.2 -69.0 143.6 -6.4 13.9 4.0 58 58 A H + 0 0 182 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.872 50.9 122.8-119.3 98.2 -10.1 14.8 4.0 59 59 A H + 0 0 136 -2,-0.6 -1,-0.1 1,-0.0 -2,-0.1 -0.416 16.7 148.5-147.9 63.7 -12.0 13.5 1.0 60 60 A H + 0 0 196 1,-0.2 2,-0.9 2,-0.1 3,-0.3 0.717 61.3 69.9 -76.2 -22.0 -14.9 11.5 2.6 61 61 A H + 0 0 147 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 -0.812 49.3 138.2-102.4 96.4 -17.3 12.2 -0.3 62 62 A H 0 0 146 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.791 360.0 360.0-101.0 -42.3 -16.1 10.3 -3.3 63 63 A H 0 0 214 -3,-0.3 -1,-0.2 0, 0.0 -2,-0.0 -0.523 360.0 360.0 65.2 360.0 -19.4 9.1 -4.6