==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-AUG-07 2R0G . COMPND 2 MOLECULE: REBC; . SOURCE 2 ORGANISM_SCIENTIFIC: LECHEVALIERIA AEROCOLONIGENES; . AUTHOR K.S.RYAN,C.L.DRENNAN . 1040 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 155 14.9 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 . 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 . 87 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.2 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 8 0 2 4 3 1 2 2 0 0 0 1 1 0 0 0 2 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 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 . 7 6 4 6 0 2 3 1 2 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 0 2 0 0 2 2 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 0 140 0, 0.0 2,-0.1 0, 0.0 159,-0.1 0.000 360.0 360.0 360.0 91.9 -11.2 57.9 32.1 2 4 A P - 0 0 79 0, 0.0 2,-0.2 0, 0.0 159,-0.2 -0.354 360.0-129.2 -59.3 125.2 -8.4 55.3 32.6 3 5 A I E -a 161 0A 99 157,-1.8 159,-3.0 -2,-0.1 2,-0.4 -0.546 22.8-158.0 -79.4 141.1 -8.5 53.7 36.0 4 6 A E E +a 162 0A 164 -2,-0.2 2,-0.3 157,-0.2 159,-0.2 -0.965 19.6 157.6-126.2 137.5 -5.4 53.6 38.2 5 7 A T E -a 163 0A 27 157,-1.4 159,-1.0 -2,-0.4 160,-0.3 -0.959 46.3-115.4-147.6 160.7 -4.3 51.3 41.0 6 8 A D E S+ 0 0 56 -2,-0.3 159,-1.8 1,-0.2 2,-0.4 0.913 100.4 23.9 -67.7 -42.5 -1.0 50.4 42.6 7 9 A V E -ab 165 30A 0 22,-1.1 24,-1.6 157,-0.2 2,-0.6 -0.978 63.7-158.5-134.2 125.7 -1.2 46.7 41.6 8 10 A L E -ab 166 31A 3 157,-3.3 159,-3.3 -2,-0.4 2,-0.7 -0.898 13.7-155.8-101.4 118.7 -3.2 45.0 38.8 9 11 A I E -ab 167 32A 0 22,-3.0 24,-2.3 -2,-0.6 2,-1.0 -0.851 0.9-158.0 -99.7 110.7 -3.7 41.3 39.5 10 12 A L E +ab 168 33A 23 157,-3.4 159,-3.4 -2,-0.7 24,-0.1 -0.787 65.7 44.2 -90.2 103.0 -4.3 39.3 36.3 11 13 A G - 0 0 6 22,-2.0 23,-0.2 -2,-1.0 159,-0.1 0.098 53.7-154.0 128.6 119.4 -6.2 36.2 37.5 12 14 A G + 0 0 19 4,-0.1 22,-0.1 20,-0.1 158,-0.1 0.148 62.5 111.6-101.9 17.6 -9.0 35.5 39.9 13 15 A G S > S- 0 0 29 156,-0.4 4,-2.0 1,-0.0 5,-0.2 -0.077 90.7 -74.1 -78.0-174.2 -8.0 31.9 40.7 14 16 A P H > S+ 0 0 25 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.907 130.6 45.3 -47.3 -53.4 -6.6 30.7 44.1 15 17 A V H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.882 111.7 49.6 -64.2 -41.5 -3.2 32.3 43.8 16 18 A G H > S+ 0 0 1 153,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.843 111.3 50.6 -67.0 -33.1 -4.4 35.7 42.6 17 19 A M H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.872 108.3 51.9 -71.5 -38.2 -6.9 36.0 45.4 18 20 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.941 109.3 50.1 -63.6 -45.3 -4.3 35.1 48.0 19 21 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.893 109.9 51.5 -59.8 -37.1 -2.1 37.9 46.6 20 22 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.894 108.4 51.6 -65.9 -38.2 -5.1 40.2 46.8 21 23 A L H X S+ 0 0 6 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.876 110.4 48.6 -65.7 -36.6 -5.6 39.2 50.4 22 24 A D H < S+ 0 0 1 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.893 112.4 46.2 -71.3 -41.7 -1.9 40.0 51.2 23 25 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.8 1,-0.2 3,-1.5 0.907 110.8 55.2 -66.6 -39.5 -2.0 43.4 49.6 24 26 A A H ><5S+ 0 0 24 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.910 106.5 49.9 -58.5 -44.9 -5.3 44.1 51.3 25 27 A H T 3<5S+ 0 0 93 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.481 111.2 50.9 -74.6 -0.7 -3.7 43.4 54.7 26 28 A R T < 5S- 0 0 28 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.135 116.4-109.3-119.8 17.0 -0.8 45.7 53.9 27 29 A Q T < 5 + 0 0 138 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.785 67.2 150.1 61.7 30.5 -2.9 48.7 52.8 28 30 A V < - 0 0 5 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.1 -0.851 47.6-128.1-100.1 121.0 -2.0 48.3 49.2 29 31 A G + 0 0 32 -2,-0.6 -22,-1.1 -3,-0.1 2,-0.3 -0.442 44.4 162.5 -63.0 132.4 -4.6 49.5 46.6 30 32 A H E -b 7 0A 3 -24,-0.2 2,-0.3 -2,-0.1 -22,-0.2 -0.938 29.7-151.6-149.5 170.4 -5.2 46.6 44.2 31 33 A L E -b 8 0A 25 -24,-1.6 -22,-3.0 -2,-0.3 2,-0.4 -0.975 8.5-152.9-151.3 131.4 -7.6 45.3 41.6 32 34 A V E -bc 9 130A 0 97,-2.6 99,-2.9 -2,-0.3 2,-0.5 -0.893 5.5-165.1-111.1 132.6 -8.4 41.7 40.4 33 35 A V E -bc 10 131A 8 -24,-2.3 -22,-2.0 -2,-0.4 2,-0.4 -0.964 6.8-179.6-119.0 124.0 -9.6 40.8 37.0 34 36 A E E - c 0 132A 28 97,-2.7 100,-2.4 -2,-0.5 99,-1.0 -0.987 19.7-153.6-121.2 122.9 -11.1 37.3 36.3 35 37 A Q S S+ 0 0 110 -2,-0.4 100,-0.2 98,-0.3 -1,-0.1 0.811 79.7 65.5 -65.1 -32.1 -12.3 36.4 32.8 36 38 A T S S- 0 0 62 98,-0.1 97,-2.7 97,-0.1 98,-0.3 -0.325 100.1-105.1 -83.9 174.3 -14.8 33.8 34.0 37 39 A D - 0 0 86 95,-0.2 95,-0.1 96,-0.1 3,-0.1 0.357 56.2-110.6 -81.5 5.9 -17.9 34.7 36.2 38 40 A G S S+ 0 0 32 1,-0.3 2,-0.2 85,-0.0 85,-0.1 0.442 77.6 121.5 83.0 -0.3 -16.0 33.3 39.2 39 41 A T - 0 0 85 80,-0.0 2,-0.5 81,-0.0 -1,-0.3 -0.614 54.8-132.5 -94.6 158.3 -18.2 30.2 39.8 40 42 A I + 0 0 57 -2,-0.2 79,-0.0 76,-0.2 76,-0.0 -0.944 30.3 164.9-116.8 129.0 -16.8 26.7 39.8 41 43 A T S S+ 0 0 119 -2,-0.5 -1,-0.1 1,-0.2 75,-0.1 0.692 81.2 34.4-106.6 -33.6 -18.4 23.7 38.0 42 44 A H S S- 0 0 38 73,-0.0 -1,-0.2 223,-0.0 73,-0.0 -0.810 84.5-142.0-129.4 93.4 -15.5 21.3 38.1 43 45 A P + 0 0 4 0, 0.0 3,-0.1 0, 0.0 187,-0.0 -0.229 22.7 175.1 -53.3 125.8 -13.4 21.6 41.4 44 46 A R + 0 0 170 1,-0.2 2,-0.2 2,-0.0 72,-0.0 0.871 61.3 52.7 -98.7 -63.8 -9.6 21.2 40.9 45 47 A V + 0 0 30 1,-0.1 70,-1.7 69,-0.0 73,-0.2 -0.513 49.3 158.5 -77.5 140.4 -8.0 21.8 44.3 46 48 A G + 0 0 3 68,-0.2 67,-3.2 1,-0.2 2,-0.5 0.585 56.9 63.9-128.5 -31.4 -9.3 19.9 47.3 47 49 A T E -H 112 0B 37 65,-0.2 2,-0.7 63,-0.0 -1,-0.2 -0.882 60.5-157.8-106.8 123.4 -6.5 20.0 49.9 48 50 A I E -H 111 0B 0 63,-2.6 63,-2.0 -2,-0.5 5,-0.0 -0.871 26.2-131.5 -96.5 115.5 -5.3 23.3 51.5 49 51 A G > - 0 0 2 -2,-0.7 4,-2.2 61,-0.2 5,-0.2 -0.213 18.5-110.8 -63.1 157.1 -1.8 22.7 52.8 50 52 A P H > S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.915 116.7 53.5 -58.1 -44.6 -0.8 23.8 56.3 51 53 A R H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.923 110.4 48.7 -58.1 -39.5 1.5 26.6 55.3 52 54 A S H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 109.2 53.4 -64.8 -40.0 -1.4 28.0 53.2 53 55 A M H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.825 104.5 55.0 -63.5 -32.8 -3.7 27.6 56.2 54 56 A E H X S+ 0 0 9 -4,-2.2 4,-2.0 54,-0.2 -1,-0.2 0.920 109.1 47.1 -67.1 -41.7 -1.3 29.6 58.3 55 57 A L H X S+ 0 0 2 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.853 111.8 50.7 -67.9 -32.4 -1.4 32.5 55.8 56 58 A F H <>S+ 0 0 2 -4,-1.9 5,-2.4 2,-0.2 6,-1.2 0.798 104.7 58.1 -74.1 -27.5 -5.2 32.2 55.8 57 59 A R H ><5S+ 0 0 59 -4,-1.7 3,-1.1 4,-0.2 -2,-0.2 0.947 108.2 46.1 -63.3 -48.2 -5.2 32.3 59.6 58 60 A R H 3<5S+ 0 0 50 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.916 112.9 49.8 -59.8 -44.5 -3.4 35.7 59.3 59 61 A W T 3<5S- 0 0 10 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.491 114.6-117.5 -76.7 -0.6 -5.9 36.8 56.7 60 62 A G T < 5S+ 0 0 48 -3,-1.1 -3,-0.2 -4,-0.5 4,-0.2 0.702 89.6 96.7 76.6 20.6 -8.8 35.8 58.8 61 63 A V >< + 0 0 7 -5,-2.4 4,-1.9 -8,-0.1 -4,-0.2 0.430 49.6 95.1-118.9 -2.4 -10.4 33.1 56.6 62 64 A A H > S+ 0 0 4 -6,-1.2 4,-1.9 1,-0.2 -5,-0.1 0.936 86.0 50.0 -54.4 -51.8 -8.9 29.9 58.0 63 65 A K H > S+ 0 0 169 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.878 109.6 48.8 -56.9 -44.2 -12.0 29.2 60.3 64 66 A Q H 4 S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.860 108.3 56.8 -66.6 -33.0 -14.6 29.7 57.5 65 67 A I H >< S+ 0 0 1 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.922 107.5 47.4 -62.2 -43.9 -12.5 27.3 55.3 66 68 A R H 3< S+ 0 0 77 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.735 116.2 42.2 -70.5 -26.5 -12.7 24.5 58.0 67 69 A T T 3< S+ 0 0 118 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.196 80.9 110.7-103.6 13.9 -16.4 24.8 58.6 68 70 A A S < S- 0 0 31 -3,-1.0 -1,-0.2 -4,-0.1 -2,-0.1 0.664 104.6 -75.2 -63.2 -16.4 -17.1 25.2 54.9 69 71 A G S S+ 0 0 15 1,-0.3 -1,-0.1 -3,-0.3 -2,-0.1 0.310 84.0 136.2 143.5 -17.4 -18.8 21.8 54.8 70 72 A W - 0 0 22 42,-0.3 -1,-0.3 1,-0.1 162,-0.1 -0.485 63.0-111.1 -63.2 125.9 -16.2 18.9 55.0 71 73 A P > - 0 0 13 0, 0.0 3,-1.2 0, 0.0 26,-0.4 -0.362 14.3-143.5 -62.1 130.6 -17.6 16.4 57.5 72 74 A G T 3 S+ 0 0 15 1,-0.2 26,-1.9 25,-0.1 27,-0.3 0.661 100.1 50.7 -69.9 -14.1 -15.6 16.2 60.7 73 75 A D T 3 S+ 0 0 100 24,-0.1 -1,-0.2 23,-0.1 22,-0.0 0.407 82.9 111.0-103.3 1.1 -16.2 12.4 60.9 74 76 A H S < S- 0 0 3 -3,-1.2 23,-0.5 1,-0.1 139,-0.1 -0.592 74.4-109.3 -80.0 135.3 -15.1 11.6 57.3 75 77 A P B -I 96 0C 24 0, 0.0 21,-0.2 0, 0.0 -1,-0.1 -0.287 18.1-160.7 -63.6 146.0 -11.9 9.6 57.1 76 78 A L + 0 0 14 19,-2.4 20,-0.1 136,-0.1 136,-0.1 0.298 48.8 131.7-106.8 3.7 -8.8 11.3 55.7 77 79 A D - 0 0 19 18,-0.4 136,-2.5 134,-0.2 137,-2.0 -0.072 49.2-143.5 -59.3 156.3 -7.1 8.0 54.9 78 80 A A E -Jk 92 214D 0 14,-1.6 14,-2.8 135,-0.2 2,-0.4 -0.974 23.5-174.9-119.5 132.2 -5.4 7.0 51.6 79 81 A A E -Jk 91 215D 1 135,-2.6 137,-2.7 -2,-0.4 2,-0.6 -0.990 24.8-139.8-140.6 137.8 -5.8 3.5 50.4 80 82 A W E +Jk 90 216D 1 10,-3.5 9,-2.5 -2,-0.4 10,-1.5 -0.803 37.7 163.6 -91.5 120.5 -4.5 1.3 47.5 81 83 A V E -Jk 88 217D 4 135,-2.7 137,-1.4 -2,-0.6 7,-0.2 -0.937 49.1-129.4-136.7 159.5 -7.2 -0.9 46.2 82 84 A T S S- 0 0 3 5,-1.8 2,-0.3 1,-0.4 136,-0.2 0.870 97.9 -16.0 -73.7 -36.5 -7.9 -3.1 43.1 83 85 A R S > S- 0 0 85 4,-0.2 3,-2.5 134,-0.1 2,-0.6 -0.957 84.8 -86.9-160.7 154.2 -11.3 -1.3 42.8 84 86 A V B 3 S+p 256 0E 0 171,-3.1 173,-2.5 1,-0.3 3,-0.0 -0.588 125.2 13.8 -70.3 115.9 -13.4 0.7 45.2 85 87 A G T 3 S+ 0 0 23 -2,-0.6 -1,-0.3 171,-0.2 171,-0.1 0.381 117.5 92.7 96.5 -3.0 -15.4 -2.0 47.0 86 88 A G S < S- 0 0 32 -3,-2.5 2,-0.5 169,-0.2 -2,-0.1 0.519 90.8 -30.5 -89.8-123.8 -13.0 -4.6 45.7 87 89 A H - 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