==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-MAR-13 4JO0 . COMPND 2 MOLECULE: CMLA; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VENEZUELAE; . AUTHOR C.J.KNOOT,T.M.MAKRIS,C.M.WILMOT,J.D.LIPSCOMB . 522 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 0.4 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 . 36 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 2 2 2 3 1 4 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 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 PARALLEL BRIDGES PER LADDER . 3 1 2 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 0 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 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 -2 A S 0 0 175 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -55.9 -20.4 -26.8 -34.5 2 -1 A H - 0 0 143 1,-0.1 2,-0.1 207,-0.0 207,-0.0 -0.363 360.0-100.3 -70.8 147.6 -18.9 -30.2 -35.6 3 0 A M - 0 0 116 -2,-0.1 207,-0.4 1,-0.0 2,-0.3 -0.343 36.8-146.4 -62.8 143.0 -17.9 -32.9 -33.1 4 1 A R - 0 0 112 205,-0.2 233,-2.9 233,-0.2 2,-0.3 -0.874 8.1-151.4-119.8 150.5 -14.1 -33.1 -32.3 5 2 A Y E -AB 208 236A 64 203,-2.7 203,-2.6 -2,-0.3 202,-0.4 -0.872 9.5-173.1-124.8 150.0 -12.1 -36.1 -31.5 6 3 A S E - B 0 235A 20 229,-3.1 229,-2.8 -2,-0.3 198,-0.1 -0.931 39.9 -80.7-136.0 161.0 -8.9 -36.9 -29.5 7 4 A L E - B 0 234A 14 196,-0.6 227,-0.2 -2,-0.3 2,-0.0 -0.399 53.9-108.2 -62.6 135.0 -6.7 -39.9 -28.9 8 5 A R > - 0 0 57 225,-3.1 3,-1.1 1,-0.1 -1,-0.1 -0.331 15.3-129.1 -59.0 148.1 -8.0 -42.3 -26.4 9 6 A Q T 3 S+ 0 0 48 1,-0.3 261,-1.6 -3,-0.1 273,-0.2 0.566 107.4 54.4 -73.4 -15.0 -6.3 -42.5 -23.1 10 7 A D T 3 S+ 0 0 25 259,-0.2 158,-2.9 261,-0.2 2,-0.6 0.119 86.8 92.7-110.3 13.0 -6.0 -46.3 -23.4 11 8 A I E < -C 167 0B 0 -3,-1.1 2,-0.3 156,-0.2 259,-0.0 -0.938 63.0-154.5-107.2 117.0 -4.3 -46.3 -26.8 12 9 A A E -C 166 0B 0 154,-2.5 154,-1.8 -2,-0.6 2,-0.7 -0.631 6.7-151.0 -88.0 144.3 -0.4 -46.4 -26.6 13 10 A V E -C 165 0B 1 -2,-0.3 152,-0.2 152,-0.2 296,-0.1 -0.873 19.5-159.1-114.8 98.7 1.7 -45.0 -29.3 14 11 A E E -C 164 0B 3 150,-3.1 150,-2.6 -2,-0.7 2,-0.2 -0.620 11.8-129.2 -88.8 131.0 5.0 -47.0 -29.2 15 12 A P E -C 163 0B 0 0, 0.0 7,-2.3 0, 0.0 2,-0.4 -0.550 25.1-170.0 -78.6 141.2 8.2 -45.6 -30.8 16 13 A V E -CD 162 21B 0 146,-2.1 146,-2.0 5,-0.3 2,-0.4 -1.000 11.4-176.0-138.2 133.2 10.1 -47.8 -33.2 17 14 A I E > S-CD 161 20B 6 3,-2.7 3,-2.4 -2,-0.4 144,-0.2 -0.991 77.5 -18.4-129.1 124.5 13.6 -47.4 -34.8 18 15 A A T 3 S- 0 0 22 142,-2.3 143,-0.1 -2,-0.4 3,-0.1 0.843 131.2 -48.3 51.4 39.1 14.9 -49.9 -37.3 19 16 A G T 3 S+ 0 0 3 141,-0.5 162,-2.7 1,-0.2 2,-0.3 0.409 120.0 100.1 86.8 -2.2 12.4 -52.4 -36.2 20 17 A W E < S-D 17 0B 7 -3,-2.4 -3,-2.7 160,-0.2 -1,-0.2 -0.842 85.8 -83.3-122.6 157.5 13.0 -52.1 -32.4 21 18 A Y E -D 16 0B 2 155,-0.5 2,-0.3 158,-0.4 -5,-0.3 -0.273 61.1-112.1 -53.3 127.2 11.4 -50.3 -29.4 22 19 A G + 0 0 1 -7,-2.3 282,-0.4 3,-0.0 2,-0.3 -0.487 50.2 148.3 -78.1 130.6 12.8 -46.8 -29.6 23 20 A W > - 0 0 19 -2,-0.3 3,-2.2 281,-0.1 4,-0.4 -0.917 58.8 -80.2-147.6 174.2 15.3 -45.3 -27.0 24 21 A S G > S+ 0 0 2 278,-0.3 3,-1.8 -2,-0.3 274,-0.0 0.760 118.9 53.6 -42.4 -50.1 18.1 -42.8 -27.0 25 22 A Y G 3 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.2 10,-0.2 0.507 100.3 61.4 -80.6 -2.8 21.0 -45.0 -28.3 26 23 A L G < S+ 0 0 1 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.494 93.0 67.0 -95.6 -8.5 19.1 -46.1 -31.4 27 24 A L S < S+ 0 0 2 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.1 0.909 85.4 66.6 -80.7 -47.0 18.8 -42.6 -32.8 28 25 A P S > S- 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.590 82.7-136.0 -70.9 145.0 22.3 -41.6 -33.5 29 26 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.896 97.2 55.8 -78.2 -39.0 23.5 -43.8 -36.3 30 27 A Q H > S+ 0 0 5 2,-0.2 4,-1.3 1,-0.2 297,-0.1 0.859 114.7 42.8 -57.1 -31.9 26.9 -44.7 -35.1 31 28 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.912 111.1 53.9 -85.4 -35.2 25.3 -46.1 -31.9 32 29 A L H X S+ 0 0 7 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.916 105.8 55.7 -52.6 -44.3 22.5 -47.7 -33.8 33 30 A A H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.3 5,-0.3 0.894 106.8 49.3 -63.1 -39.4 25.1 -49.5 -35.9 34 31 A R H X S+ 0 0 8 -4,-1.3 4,-2.8 -5,-0.2 5,-0.3 0.921 113.3 45.6 -65.8 -44.5 26.7 -50.9 -32.9 35 32 A F H X>S+ 0 0 1 -4,-2.2 5,-2.8 -10,-0.2 4,-1.9 0.907 112.5 50.7 -66.5 -39.6 23.4 -52.2 -31.4 36 33 A V H <>S+ 0 0 9 -4,-2.9 5,-2.9 3,-0.2 6,-0.4 0.985 119.9 35.7 -62.5 -52.5 22.2 -53.7 -34.7 37 34 A H H <5S+ 0 0 52 -4,-2.2 5,-0.3 -5,-0.2 -2,-0.2 0.937 124.7 37.1 -65.3 -51.9 25.4 -55.5 -35.2 38 35 A N H <5S+ 0 0 34 -4,-2.8 -1,-0.2 -5,-0.3 -3,-0.2 0.737 136.7 3.4 -85.9 -13.5 26.4 -56.5 -31.7 39 36 A R T X5S+ 0 0 67 -4,-1.9 4,-1.9 -5,-0.3 -3,-0.2 0.606 120.7 49.8-130.5 -63.0 22.9 -57.3 -30.4 40 37 A F H > S+ 0 0 140 -6,-0.4 4,-1.9 -5,-0.3 -1,-0.2 0.833 107.6 50.9 -65.5 -29.4 22.2 -61.8 -32.9 43 40 A I H X S+ 0 0 7 -4,-1.9 4,-2.4 -3,-0.4 -2,-0.2 0.947 111.7 45.2 -74.0 -43.8 18.8 -61.9 -31.4 44 41 A V H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.975 115.4 46.6 -61.6 -53.3 17.0 -62.4 -34.6 45 42 A E H X S+ 0 0 98 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.933 112.4 49.9 -59.0 -46.1 19.4 -65.1 -35.9 46 43 A S H X S+ 0 0 56 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.953 114.7 45.9 -52.0 -54.6 19.4 -66.9 -32.5 47 44 A Y H >< S+ 0 0 0 -4,-2.4 3,-0.8 2,-0.2 -2,-0.2 0.934 110.6 50.8 -51.9 -56.9 15.6 -66.8 -32.6 48 45 A L H 3< S+ 0 0 29 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.847 108.1 56.8 -56.5 -32.8 15.3 -67.9 -36.2 49 46 A D H 3< S- 0 0 138 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.796 132.1 -3.0 -68.7 -32.8 17.6 -70.8 -35.4 50 47 A D XX - 0 0 81 -4,-1.4 3,-2.1 -3,-0.8 4,-0.8 -0.357 59.0-174.7-163.2 84.9 15.4 -72.2 -32.6 51 48 A P H 3> S+ 0 0 37 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.683 82.1 67.4 -53.6 -21.0 12.3 -70.3 -31.7 52 49 A Q H 3> S+ 0 0 111 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.773 90.3 60.5 -76.7 -28.3 11.6 -72.7 -28.8 53 50 A V H <> S+ 0 0 68 -3,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.942 112.2 39.7 -59.0 -48.2 14.6 -71.5 -26.8 54 51 A H H X S+ 0 0 0 -4,-0.8 4,-3.4 2,-0.2 5,-0.3 0.924 114.5 52.2 -69.2 -47.0 13.1 -68.0 -26.7 55 52 A A H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.948 113.4 46.3 -48.8 -48.9 9.6 -69.4 -26.2 56 53 A A H < S+ 0 0 31 -4,-3.3 4,-0.3 2,-0.2 -2,-0.2 0.834 113.5 47.6 -66.2 -37.5 11.0 -71.3 -23.3 57 54 A A H >< S+ 0 0 3 -4,-2.3 3,-2.1 1,-0.2 6,-0.4 0.943 110.2 51.9 -65.9 -48.2 12.9 -68.3 -21.9 58 55 A V H 3< S+ 0 0 14 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.826 95.9 70.8 -62.5 -31.1 9.9 -66.0 -22.2 59 56 A R T 3< S+ 0 0 163 -4,-1.8 2,-0.6 -5,-0.3 -1,-0.3 0.715 92.5 66.6 -58.9 -19.0 7.9 -68.6 -20.3 60 57 A Q S X S- 0 0 75 -3,-2.1 3,-1.9 -4,-0.3 4,-0.2 -0.915 71.4-151.2-112.6 118.4 9.8 -67.7 -17.1 61 58 A R G > S+ 0 0 173 -2,-0.6 3,-2.5 1,-0.3 -1,-0.2 0.865 95.0 62.3 -48.7 -44.9 9.5 -64.2 -15.5 62 59 A R G 3 S+ 0 0 184 1,-0.3 -1,-0.3 3,-0.1 -4,-0.1 0.718 99.9 54.3 -62.4 -20.9 13.0 -64.3 -14.0 63 60 A M G X S+ 0 0 53 -3,-1.9 3,-1.8 -6,-0.4 2,-0.4 0.406 80.6 120.2 -86.7 3.6 14.5 -64.6 -17.6 64 61 A H T < + 0 0 46 -3,-2.5 421,-0.1 1,-0.3 -6,-0.0 -0.561 67.8 38.5 -78.1 122.1 12.6 -61.4 -18.7 65 62 A G T 3 S+ 0 0 8 1,-0.5 -1,-0.3 -2,-0.4 -2,-0.1 0.149 92.0 112.1 117.9 -17.0 15.1 -58.8 -19.7 66 63 A G S < S- 0 0 19 -3,-1.8 2,-2.2 1,-0.1 -1,-0.5 -0.213 92.1 -74.8 -72.7 177.4 17.4 -61.2 -21.4 67 64 A P S S+ 0 0 64 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.258 85.1 136.9 -75.4 53.3 18.0 -61.3 -25.2 68 65 A W - 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