==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-SEP-08 3EPT . COMPND 2 MOLECULE: REBC; . SOURCE 2 ORGANISM_SCIENTIFIC: LECHEVALIERIA AEROCOLONIGENES; . AUTHOR K.S.RYAN,C.L.DRENNAN . 1036 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43167.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 722 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 87 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 6 2 2 4 2 0 2 5 0 0 0 1 0 0 0 0 2 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 2 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 PARALLEL BRIDGES PER LADDER . 6 8 6 8 0 2 4 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 2 2 0 0 0 4 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 3 A A 0 0 134 0, 0.0 159,-0.0 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0 150.7 -14.2 57.4 34.6 2 4 A P - 0 0 74 0, 0.0 2,-0.7 0, 0.0 159,-0.2 -0.221 360.0-139.7 -51.8 126.0 -10.9 55.4 35.0 3 5 A I E -a 161 0A 73 157,-2.8 159,-3.3 2,-0.0 2,-0.5 -0.826 22.6-164.4 -89.4 118.0 -10.7 53.2 38.1 4 6 A E E +a 162 0A 160 -2,-0.7 2,-0.3 157,-0.2 159,-0.2 -0.931 16.9 159.7-114.4 123.4 -7.2 53.6 39.4 5 7 A T E -a 163 0A 24 157,-0.8 159,-0.8 -2,-0.5 3,-0.2 -0.816 45.3-118.9-130.0 169.9 -5.8 51.2 42.0 6 8 A D E S+ 0 0 57 1,-0.3 159,-1.2 -2,-0.3 158,-1.1 0.936 100.1 20.0 -78.0 -48.4 -2.3 50.2 43.2 7 9 A V E -ab 165 30A 0 22,-2.1 24,-1.7 157,-0.2 2,-0.7 -0.955 65.2-161.3-130.4 117.1 -2.5 46.5 42.2 8 10 A L E -ab 166 31A 0 157,-2.3 159,-1.8 -2,-0.5 2,-0.8 -0.851 13.3-154.3 -94.0 115.5 -4.9 45.1 39.6 9 11 A I E -ab 167 32A 0 22,-3.0 24,-1.7 -2,-0.7 2,-0.9 -0.816 1.6-154.2 -97.4 105.3 -5.2 41.3 40.0 10 12 A L E +ab 168 33A 19 157,-2.2 159,-3.7 -2,-0.8 24,-0.1 -0.668 65.7 37.4 -77.8 103.6 -6.2 39.6 36.8 11 13 A G - 0 0 7 22,-2.0 23,-0.2 -2,-0.9 159,-0.1 0.001 57.9-143.9 123.8 131.6 -7.9 36.4 37.9 12 14 A G + 0 0 20 4,-0.1 22,-0.1 20,-0.1 -1,-0.1 0.197 60.0 121.0-107.6 15.4 -10.2 35.2 40.7 13 15 A G S > S- 0 0 29 156,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.096 84.7 -85.2 -69.0 177.5 -8.7 31.8 41.1 14 16 A P H > S+ 0 0 25 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.910 130.5 44.3 -51.0 -48.6 -7.3 30.6 44.5 15 17 A V H > S+ 0 0 13 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.979 113.3 48.6 -63.2 -55.0 -3.9 32.1 43.8 16 18 A G H > S+ 0 0 0 153,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.831 117.5 44.8 -53.1 -32.2 -5.2 35.4 42.5 17 19 A M H X S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.900 107.8 54.9 -78.9 -43.3 -7.4 35.5 45.5 18 20 A A H X S+ 0 0 0 -4,-3.4 4,-2.3 -5,-0.2 -2,-0.2 0.913 108.2 52.5 -55.6 -40.9 -4.7 34.5 48.0 19 21 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.944 107.5 50.0 -58.7 -51.0 -2.7 37.4 46.6 20 22 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.925 109.3 53.0 -53.4 -47.3 -5.7 39.7 47.2 21 23 A L H X S+ 0 0 6 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.900 111.8 44.3 -56.3 -45.7 -5.8 38.4 50.8 22 24 A D H X S+ 0 0 1 -4,-2.3 4,-1.6 2,-0.2 3,-0.3 0.980 111.5 51.9 -63.3 -56.8 -2.2 39.1 51.5 23 25 A L H <>S+ 0 0 0 -4,-2.9 5,-2.9 1,-0.3 3,-0.3 0.866 106.7 58.1 -47.0 -38.4 -2.3 42.6 49.9 24 26 A A H ><5S+ 0 0 26 -4,-2.4 3,-2.0 -5,-0.3 -1,-0.3 0.959 105.1 46.5 -59.2 -52.6 -5.2 43.2 52.1 25 27 A H H 3<5S+ 0 0 85 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.717 111.4 54.0 -64.1 -18.9 -3.3 42.5 55.3 26 28 A R T 3<5S- 0 0 21 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.182 114.2-118.0 -99.8 17.2 -0.5 44.7 54.0 27 29 A Q T < 5 + 0 0 145 -3,-2.0 2,-0.5 1,-0.2 -3,-0.2 0.822 59.6 156.7 51.9 36.4 -2.9 47.6 53.4 28 30 A V < - 0 0 5 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.830 46.6-120.5 -98.3 126.9 -2.2 47.6 49.7 29 31 A G + 0 0 35 -2,-0.5 -22,-2.1 -23,-0.0 2,-0.3 -0.450 52.0 149.1 -63.8 121.1 -4.8 49.0 47.3 30 32 A H E -b 7 0A 9 -2,-0.3 2,-0.3 -24,-0.2 -22,-0.2 -0.947 31.3-160.4-148.3 167.8 -5.9 46.3 45.0 31 33 A L E -b 8 0A 14 -24,-1.7 -22,-3.0 -2,-0.3 2,-0.5 -0.981 13.1-145.1-150.7 141.9 -8.9 45.1 43.0 32 34 A V E -bc 9 130A 0 97,-3.7 99,-4.5 -2,-0.3 2,-0.5 -0.957 7.7-162.7-119.2 125.9 -9.6 41.6 41.5 33 35 A V E +bc 10 131A 6 -24,-1.7 -22,-2.0 -2,-0.5 2,-0.4 -0.918 9.1 179.2-110.0 126.7 -11.4 41.0 38.3 34 36 A E E - c 0 132A 29 97,-3.5 100,-2.1 -2,-0.5 99,-0.9 -0.992 18.2-155.6-125.6 122.5 -12.9 37.5 37.5 35 37 A Q S S+ 0 0 109 -2,-0.4 100,-0.1 98,-0.3 -1,-0.1 0.938 75.8 70.5 -64.3 -50.1 -14.7 36.8 34.3 36 38 A T S S- 0 0 67 97,-0.1 97,-2.3 1,-0.1 98,-0.3 -0.126 100.8-104.9 -61.4 166.8 -16.8 33.9 35.5 37 39 A D - 0 0 84 95,-0.2 95,-0.1 2,-0.1 -1,-0.1 0.640 61.5 -98.4 -71.3 -11.2 -19.6 34.7 37.9 38 40 A G S S+ 0 0 33 1,-0.3 2,-0.3 94,-0.0 85,-0.1 0.437 83.5 117.8 111.9 1.4 -17.5 33.2 40.7 39 41 A T - 0 0 94 80,-0.1 2,-0.4 81,-0.0 -1,-0.3 -0.782 59.0-121.0-108.6 149.5 -18.9 29.7 41.0 40 42 A I + 0 0 51 -2,-0.3 76,-0.0 1,-0.2 -1,-0.0 -0.703 24.6 174.4 -89.7 126.8 -17.2 26.2 40.5 41 43 A T S S+ 0 0 122 -2,-0.4 -1,-0.2 1,-0.3 75,-0.1 0.895 85.0 21.9 -90.7 -56.5 -18.6 23.7 38.0 42 44 A H S S- 0 0 24 73,-0.0 -1,-0.3 226,-0.0 2,-0.1 -0.878 85.9-138.7-115.5 99.2 -15.9 21.1 38.4 43 45 A P + 0 0 5 0, 0.0 3,-0.1 0, 0.0 187,-0.0 -0.339 27.6 172.0 -57.1 124.8 -14.0 21.4 41.7 44 46 A R + 0 0 162 1,-0.1 2,-0.0 -2,-0.1 -4,-0.0 0.857 55.6 62.6 -98.5 -67.8 -10.3 20.9 41.1 45 47 A V + 0 0 30 1,-0.2 70,-2.2 69,-0.1 71,-0.2 -0.332 48.1 152.8 -63.7 137.5 -8.5 21.7 44.3 46 48 A G + 0 0 3 68,-0.2 67,-3.1 1,-0.2 2,-0.6 0.575 54.8 61.9-131.0 -39.4 -9.4 19.5 47.2 47 49 A T E -H 112 0B 39 65,-0.2 2,-0.6 66,-0.0 -1,-0.2 -0.833 63.1-155.9-103.2 123.1 -6.3 19.5 49.5 48 50 A I E -H 111 0B 0 63,-3.0 63,-1.9 -2,-0.6 5,-0.1 -0.829 25.1-117.7 -99.5 123.4 -5.0 22.6 51.2 49 51 A G > - 0 0 1 -2,-0.6 4,-2.6 61,-0.2 3,-0.4 -0.223 13.1-124.2 -60.1 140.6 -1.4 22.6 52.3 50 52 A P H > S+ 0 0 12 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.852 117.9 47.3 -51.2 -36.7 -0.2 22.9 55.9 51 53 A R H > S+ 0 0 32 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.842 109.9 51.6 -73.2 -34.4 1.9 25.9 54.8 52 54 A S H > S+ 0 0 2 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.826 109.5 52.5 -70.1 -29.4 -1.1 27.3 52.9 53 55 A M H X S+ 0 0 0 -4,-2.6 4,-1.3 55,-0.2 -2,-0.2 0.778 103.5 55.3 -75.6 -28.7 -3.1 26.9 56.1 54 56 A E H X S+ 0 0 10 -4,-1.2 4,-1.4 -5,-0.3 -2,-0.2 0.881 110.6 46.5 -70.9 -36.1 -0.5 28.8 58.1 55 57 A L H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 3,-0.3 0.935 111.6 48.9 -69.7 -45.8 -0.9 31.7 55.7 56 58 A F H <>S+ 0 0 2 -4,-2.2 5,-2.5 1,-0.3 6,-0.9 0.803 105.9 60.8 -63.3 -24.7 -4.7 31.4 55.9 57 59 A R H ><5S+ 0 0 66 -4,-1.3 3,-0.7 3,-0.2 -1,-0.3 0.914 108.1 42.6 -65.9 -42.3 -4.2 31.4 59.7 58 60 A R H 3<5S+ 0 0 60 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.932 114.8 49.2 -67.7 -47.7 -2.6 34.8 59.4 59 61 A W T 3<5S- 0 0 7 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.363 115.0-121.0 -75.5 5.6 -5.2 36.0 56.9 60 62 A G T < 5S+ 0 0 49 -3,-0.7 -3,-0.2 -5,-0.2 -2,-0.1 0.877 84.9 99.9 56.8 51.3 -7.9 34.7 59.3 61 63 A V >< + 0 0 4 -5,-2.5 4,-2.0 -8,-0.2 -4,-0.2 0.178 50.0 96.8-143.0 11.5 -9.8 32.2 57.2 62 64 A A H > S+ 0 0 8 -6,-0.9 4,-2.5 2,-0.2 5,-0.3 0.972 81.5 52.3 -68.8 -55.4 -8.3 28.9 58.4 63 65 A K H > S+ 0 0 180 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.895 111.4 51.1 -46.4 -44.3 -11.0 28.1 61.0 64 66 A Q H 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.947 107.6 49.5 -60.6 -53.2 -13.5 28.5 58.3 65 67 A I H >< S+ 0 0 1 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.896 111.0 51.3 -53.9 -43.1 -11.8 26.3 55.7 66 68 A R H 3< S+ 0 0 74 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.863 116.9 39.2 -63.2 -37.7 -11.5 23.5 58.4 67 69 A T T 3< S+ 0 0 113 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 -0.020 81.9 109.9-102.7 28.4 -15.2 23.8 59.2 68 70 A A S < S- 0 0 28 -3,-1.4 -1,-0.2 44,-0.2 -2,-0.1 0.589 104.0 -74.8 -78.0 -11.8 -16.3 24.3 55.6 69 71 A G S S+ 0 0 18 -3,-0.4 -2,-0.1 1,-0.3 44,-0.1 0.380 80.6 139.8 138.9 -11.2 -17.9 20.8 55.6 70 72 A W - 0 0 21 42,-0.4 -1,-0.3 -4,-0.2 162,-0.1 -0.514 64.7-105.3 -67.6 121.9 -15.4 18.0 55.4 71 73 A P > - 0 0 9 0, 0.0 3,-1.5 0, 0.0 26,-0.4 -0.212 20.8-147.1 -49.1 118.7 -16.6 15.2 57.8 72 74 A G T 3 S+ 0 0 17 1,-0.3 26,-1.7 25,-0.1 27,-0.3 0.835 101.1 45.5 -57.3 -32.6 -14.4 15.3 60.9 73 75 A D T 3 S+ 0 0 102 24,-0.1 -1,-0.3 23,-0.1 -3,-0.0 0.463 84.7 114.0 -91.3 -1.9 -15.0 11.5 61.1 74 76 A H S < S- 0 0 4 -3,-1.5 23,-0.7 1,-0.1 24,-0.1 -0.528 74.0-111.4 -72.3 135.3 -14.4 10.8 57.4 75 77 A P B -I 96 0C 24 0, 0.0 21,-0.2 0, 0.0 137,-0.1 -0.120 15.0-153.9 -59.4 161.8 -11.2 8.7 56.9 76 78 A L + 0 0 13 19,-1.5 20,-0.1 135,-0.1 136,-0.1 0.177 48.5 140.3-122.8 11.9 -8.2 10.3 55.2 77 79 A D - 0 0 18 18,-0.2 137,-2.1 134,-0.1 136,-1.8 -0.037 46.2-146.3 -58.9 154.7 -6.9 6.9 54.0 78 80 A A E -Jk 92 214D 0 14,-1.7 14,-2.4 135,-0.2 2,-0.4 -0.953 25.2-177.9-125.0 107.1 -5.3 6.1 50.7 79 81 A A E -Jk 91 215D 0 135,-2.6 137,-2.3 -2,-0.5 2,-0.6 -0.850 23.0-143.3-113.9 147.7 -6.2 2.6 49.5 80 82 A W E +Jk 90 216D 0 10,-3.9 9,-3.7 -2,-0.4 10,-1.4 -0.920 32.3 170.2-106.7 113.7 -5.2 0.7 46.4 81 83 A V E -Jk 88 217D 0 135,-1.8 137,-2.4 -2,-0.6 7,-0.2 -0.890 44.7-133.7-127.2 157.2 -8.0 -1.5 45.1 82 84 A T S S- 0 0 9 5,-2.4 2,-0.3 1,-0.4 6,-0.1 0.796 102.4 -6.9 -72.7 -29.5 -8.7 -3.6 42.0 83 85 A R S > S- 0 0 82 4,-0.2 3,-3.4 134,-0.1 2,-0.5 -0.906 91.6 -93.4-165.1 134.3 -12.1 -2.0 41.9 84 86 A V B 3 S+q 257 0E 0 172,-2.2 174,-1.7 1,-0.3 175,-0.6 -0.429 122.4 16.7 -58.5 111.1 -13.6 0.4 44.5 85 87 A G T 3 S+ 0 0 19 -2,-0.5 -1,-0.3 1,-0.2 2,-0.1 0.521 120.0 84.4 99.3 8.8 -15.6 -2.1 46.6 86 88 A G S < S- 0 0 24 -3,-3.4 2,-0.8 1,-0.1 -1,-0.2 -0.036 93.0 -15.5-114.3-140.7 -13.6 -5.0 45.2 87 89 A H - 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