==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JAN-13 4IN6 . COMPND 2 MOLECULE: REACTION CENTER PROTEIN L CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR R.G.SAER,A.HARDJASA,M.E.P MURPHY,J.T.BEATTY . 823 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 31 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 334 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.6 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 5 0 5 0 0 0 0 1 1 0 2 0 0 3 0 0 0 0 1 2 1 1 2 0 2 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 8 1 5 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 4 1 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 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 L A 0 0 28 0, 0.0 2,-0.3 0, 0.0 618,-0.2 0.000 360.0 360.0 360.0 157.9 11.0 76.2 0.8 2 2 L L B -A 618 0A 4 616,-2.5 616,-2.6 614,-0.1 623,-0.2 -0.947 360.0-104.4-131.2 145.7 12.8 73.5 2.7 3 3 L L > - 0 0 1 -2,-0.3 3,-1.9 614,-0.2 4,-0.4 -0.395 47.7-101.8 -61.9 156.6 16.3 72.9 3.7 4 4 L S T 3 S+ 0 0 7 610,-2.5 652,-0.3 1,-0.3 3,-0.2 0.779 121.9 38.1 -52.0 -30.3 18.0 70.3 1.4 5 5 L F T 3 S+ 0 0 5 1,-0.1 3,-0.3 650,-0.1 -1,-0.3 0.370 94.3 91.8-101.9 3.5 17.6 67.6 4.1 6 6 L E X> + 0 0 0 -3,-1.9 3,-1.5 1,-0.2 4,-0.6 0.725 62.0 73.3 -79.3 -30.1 14.2 68.5 5.5 7 7 L R G >4 S+ 0 0 64 -4,-0.4 3,-1.7 1,-0.3 666,-0.2 0.890 89.2 59.6 -59.2 -44.9 11.6 66.6 3.6 8 8 L K G 34 S+ 0 0 2 -3,-0.3 677,-2.6 1,-0.3 -1,-0.3 0.724 105.7 51.3 -56.9 -22.2 12.2 63.2 5.1 9 9 L Y G <4 S+ 0 0 1 -3,-1.5 2,-1.7 -4,-0.2 -1,-0.3 0.642 86.6 90.1 -89.3 -13.8 11.4 64.7 8.5 10 10 L R << + 0 0 2 -3,-1.7 663,-3.3 -4,-0.6 -1,-0.2 -0.383 59.4 135.3 -86.0 62.9 8.1 66.2 7.4 11 11 L V - 0 0 0 -2,-1.7 663,-0.2 661,-0.3 651,-0.0 -0.526 59.7 -89.4-104.5 165.5 5.9 63.3 8.2 12 12 L P S S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 8,-0.1 -0.295 78.1 52.9 -64.8 157.6 2.5 63.1 9.9 13 13 L G + 0 0 25 6,-0.1 -2,-0.1 659,-0.0 804,-0.0 0.037 45.2 93.1 105.5 154.9 2.3 62.7 13.7 14 14 L G + 0 0 13 1,-0.3 95,-0.2 95,-0.1 96,-0.2 0.341 52.5 138.8 112.1 -4.5 3.3 64.0 17.0 15 15 L T - 0 0 23 1,-0.1 -1,-0.3 4,-0.1 3,-0.1 -0.287 40.3-158.6 -74.1 153.5 0.5 66.4 17.8 16 16 L L S S+ 0 0 71 1,-0.3 2,-0.4 3,-0.1 -1,-0.1 0.620 78.3 31.4 -99.7 -21.7 -1.1 66.6 21.3 17 17 L V S S+ 0 0 62 2,-0.2 16,-0.4 1,-0.1 -1,-0.3 -0.995 118.5 10.1-145.6 128.7 -4.4 68.0 20.3 18 18 L G S > S- 0 0 41 -2,-0.4 3,-2.3 -3,-0.1 4,-0.3 0.606 81.7-128.4 85.3 18.7 -6.5 67.7 17.2 19 19 L G T 3 S- 0 0 48 1,-0.3 3,-0.3 2,-0.1 -2,-0.2 -0.136 80.7 -12.0 45.6-118.7 -4.8 64.8 15.4 20 20 L N T > S+ 0 0 137 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.483 109.1 99.6 -90.4 -4.0 -4.0 65.8 11.8 21 21 L L T < S+ 0 0 111 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.789 99.9 18.8 -55.7 -42.0 -6.2 68.9 11.7 22 22 L F T 3 S+ 0 0 56 -3,-0.3 10,-2.0 -4,-0.3 2,-1.8 0.105 88.8 128.7-116.0 19.4 -3.5 71.4 12.3 23 23 L D < + 0 0 6 -3,-1.4 2,-0.3 -5,-0.2 -3,-0.0 -0.625 50.1 86.0 -87.0 84.5 -0.6 69.1 11.3 24 24 L F - 0 0 54 -2,-1.8 7,-1.9 647,-0.2 8,-0.5 -0.971 63.7-117.5-167.2 173.4 1.1 71.4 8.7 25 25 L W E -C 30 0B 6 645,-3.1 2,-0.4 -2,-0.3 5,-0.2 -0.755 5.3-147.3-117.9 163.4 3.7 74.2 8.1 26 26 L V E > S-C 29 0B 93 3,-2.0 3,-1.7 -2,-0.2 644,-0.1 -0.925 77.6 -51.2-132.7 102.2 3.6 77.7 6.8 27 27 L G T 3 S- 0 0 41 -2,-0.4 512,-0.0 1,-0.3 643,-0.0 -0.486 126.0 -17.8 61.3-125.8 6.9 78.2 5.0 28 28 L P T 3 S+ 0 0 25 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.793 117.6 97.9 -74.1 -27.2 9.4 77.1 7.6 29 29 L F E < -C 26 0B 88 -3,-1.7 -3,-2.0 509,-0.1 507,-0.2 -0.437 64.6-140.8 -77.0 127.1 7.1 77.4 10.6 30 30 L Y E -C 25 0B 4 506,-1.8 -5,-0.2 -2,-0.4 -7,-0.1 -0.480 19.4-171.3 -68.9 150.8 5.3 74.4 12.1 31 31 L V > + 0 0 23 -7,-1.9 4,-0.9 -9,-0.3 -1,-0.2 0.681 17.1 153.4-109.0 -85.4 1.8 75.2 13.2 32 32 L G H > - 0 0 0 -10,-2.0 4,-1.7 -8,-0.5 3,-0.2 -0.076 69.7 -61.2 69.7 175.8 -0.1 72.7 15.1 33 33 L F H > S+ 0 0 70 -16,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.911 139.2 51.5 -58.6 -42.6 -2.9 73.4 17.6 34 34 L F H > S+ 0 0 27 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.736 103.2 57.7 -79.0 -17.5 -0.5 75.4 19.7 35 35 L G H X S+ 0 0 13 -4,-0.9 4,-2.0 -3,-0.2 -1,-0.2 0.876 109.0 46.5 -68.6 -42.4 0.6 77.5 16.8 36 36 L V H X S+ 0 0 61 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.966 115.0 46.6 -59.3 -50.4 -3.1 78.4 16.3 37 37 L A H X S+ 0 0 15 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.929 110.9 52.6 -60.1 -45.3 -3.4 79.1 20.1 38 38 L T H X S+ 0 0 17 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.899 110.9 46.7 -57.2 -43.2 -0.1 81.1 20.1 39 39 L F H X S+ 0 0 159 -4,-2.0 4,-2.8 2,-0.2 5,-0.4 0.961 112.3 50.2 -67.2 -45.4 -1.4 83.3 17.2 40 40 L F H X S+ 0 0 123 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.955 115.5 42.4 -55.4 -49.2 -4.7 83.9 18.8 41 41 L F H X S+ 0 0 54 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.928 118.9 43.8 -68.9 -41.3 -3.2 84.9 22.2 42 42 L A H X S+ 0 0 37 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.816 112.7 50.4 -72.5 -33.4 -0.5 87.0 20.6 43 43 L A H X S+ 0 0 32 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.941 113.2 46.5 -75.2 -43.5 -2.7 88.7 18.1 44 44 L L H X S+ 0 0 62 -4,-2.3 4,-2.7 -5,-0.4 5,-0.3 0.935 112.1 51.9 -59.8 -48.0 -5.2 89.6 20.8 45 45 L G H X S+ 0 0 8 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.894 111.0 46.5 -55.7 -43.4 -2.4 90.8 23.1 46 46 L I H X S+ 0 0 110 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.894 110.4 53.1 -69.1 -37.3 -0.9 93.0 20.4 47 47 L I H X S+ 0 0 107 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.966 111.3 46.2 -62.5 -48.0 -4.4 94.4 19.6 48 48 L L H X S+ 0 0 17 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.758 109.3 54.8 -66.8 -27.7 -5.0 95.3 23.1 49 49 L I H X S+ 0 0 56 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.922 110.4 46.1 -70.1 -40.7 -1.6 96.8 23.4 50 50 L A H X S+ 0 0 31 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.903 111.7 51.9 -62.6 -44.6 -2.3 99.0 20.5 51 51 L W H X S+ 0 0 118 -4,-3.1 4,-2.3 1,-0.2 3,-0.4 0.896 108.4 51.7 -54.8 -43.4 -5.7 99.8 22.0 52 52 L S H X S+ 0 0 14 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.883 106.9 53.2 -64.1 -35.3 -3.8 100.8 25.2 53 53 L A H X>S+ 0 0 1 -4,-1.9 5,-2.0 2,-0.2 4,-1.0 0.735 107.0 51.6 -72.9 -24.8 -1.5 103.1 23.2 54 54 L V H ><5S+ 0 0 85 -4,-1.4 3,-0.6 -3,-0.4 -2,-0.2 0.947 111.1 47.5 -68.8 -54.5 -4.6 104.9 21.8 55 55 L L H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.742 114.6 47.6 -54.6 -26.8 -6.0 105.3 25.3 56 56 L Q H 3<5S- 0 0 77 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.705 112.2-124.2 -88.6 -25.5 -2.5 106.6 26.4 57 57 L G T <<5S+ 0 0 66 -4,-1.0 2,-0.3 -3,-0.6 -3,-0.2 0.713 70.1 95.8 92.4 25.2 -2.2 108.9 23.4 58 58 L T < - 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0 0 19 -2,-0.2 4,-2.5 -13,-0.0 5,-0.2 -0.807 37.4-104.0-115.6 164.4 24.6 74.9 11.7 544 262 M M T 4 S+ 0 0 18 -2,-0.3 4,-0.4 1,-0.2 -24,-0.1 0.789 124.5 35.8 -60.5 -26.3 26.7 72.8 14.0 545 263 M E T >> S+ 0 0 9 2,-0.1 3,-1.1 -26,-0.1 4,-0.7 0.903 114.2 55.5 -87.6 -47.3 29.6 75.1 13.5 546 264 M G H >> S+ 0 0 1 1,-0.3 4,-2.1 63,-0.2 3,-1.0 0.801 95.9 64.5 -59.9 -33.5 27.7 78.4 13.2 547 265 M I H 3X S+ 0 0 29 -4,-2.5 4,-2.3 1,-0.3 -1,-0.3 0.895 98.4 56.7 -58.1 -36.5 26.0 78.0 16.5 548 266 M H H <> S+ 0 0 0 -3,-1.1 4,-2.6 -4,-0.4 -1,-0.3 0.761 104.6 52.3 -69.0 -21.1 29.4 78.3 18.2 549 267 M R H X S+ 0 0 6 -4,-2.2 3,-1.0 -5,-0.2 4,-0.7 0.924 114.9 47.7 -63.9 -45.7 29.3 86.0 25.2 556 274 M V H 3X S+ 0 0 17 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.813 101.0 64.8 -75.5 -23.5 32.0 88.4 24.2 557 275 M L H 3X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.727 90.7 68.7 -67.5 -22.8 29.7 91.3 23.4 558 276 M V H < S+ 0 0 22 -4,-2.5 3,-0.7 2,-0.2 -1,-0.2 0.823 111.1 54.5 -58.1 -39.3 32.2 102.2 31.5 567 285 M L H 3< S+ 0 0 34 -4,-1.9 4,-0.3 1,-0.3 -2,-0.2 0.863 108.6 49.0 -74.3 -34.8 35.2 103.8 29.8 568 286 M L H 3X>S+ 0 0 10 -4,-2.3 5,-2.5 3,-0.1 4,-1.9 0.615 88.9 103.7 -67.9 -20.2 33.0 106.6 28.4 569 287 M S B <<5S-k 573 0J 0 -3,-0.7 5,-0.2 -4,-0.5 -94,-0.0 -0.627 101.1 -8.9 -80.3 117.3 31.6 107.2 31.9 570 288 M G T 45S+ 0 0 12 3,-3.4 -1,-0.2 -2,-0.5 4,-0.1 0.049 128.7 71.5 87.1 -24.0 33.1 110.3 33.5 571 289 M T T 45S- 0 0 49 -4,-0.3 -2,-0.2 2,-0.2 -3,-0.1 0.890 127.0 -4.9 -84.9 -47.7 35.7 110.7 30.8 572 290 M V T <5S+ 0 0 62 -4,-1.9 2,-0.5 1,-0.3 -3,-0.2 0.694 136.4 45.2-114.2 -35.9 33.2 111.8 28.1 573 291 M V B < -k 569 0J 5 -5,-2.5 -3,-3.4 1,-0.1 -1,-0.3 -0.967 51.0-178.5-120.6 120.4 29.8 111.6 29.7 574 292 M D S S+ 0 0 123 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.633 81.6 18.6 -89.7 -16.3 29.2 112.9 33.3 575 293 M N > - 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