==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-MAY-02 1LRW . COMPND 2 MOLECULE: METHANOL DEHYDROGENASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR Z.-X.XIA,W.-W.DAI,Y.-N.HE,S.A.WHITE,F.S.MATHEWS,V.L.DAVIDSON . 1366 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 829 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 337 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 14 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.7 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 . 109 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 7 0 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 3 13 7 21 5 5 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 . 3 2 10 6 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 N > 0 0 10 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 120.5 47.3 54.7 63.0 2 2 A D H > + 0 0 126 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.889 360.0 54.9 -65.1 -42.9 49.1 58.1 62.5 3 3 A Q H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.852 104.9 56.1 -60.3 -33.3 50.2 57.4 59.0 4 4 A L H > S+ 0 0 2 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.870 107.9 46.2 -67.7 -38.1 46.5 56.7 58.1 5 5 A V H X S+ 0 0 43 -4,-1.3 4,-0.9 -3,-0.2 -1,-0.2 0.888 112.5 52.9 -71.0 -36.2 45.4 60.1 59.4 6 6 A E H >< S+ 0 0 108 -4,-2.3 3,-0.6 1,-0.2 4,-0.3 0.904 109.1 47.8 -63.0 -42.0 48.3 61.5 57.4 7 7 A L H >< S+ 0 0 56 -4,-2.5 3,-1.0 1,-0.2 6,-0.5 0.777 105.0 61.0 -69.6 -26.7 47.2 59.8 54.2 8 8 A A H 3< S+ 0 0 7 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.731 89.5 69.3 -73.0 -22.7 43.7 61.0 54.8 9 9 A K T << S+ 0 0 141 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.666 86.6 80.1 -70.0 -15.1 44.8 64.6 54.6 10 10 A D S X S- 0 0 84 -3,-1.0 3,-1.9 -4,-0.3 514,-0.1 -0.840 76.1-146.6 -95.9 120.3 45.5 64.1 50.9 11 11 A P T 3 S+ 0 0 40 0, 0.0 513,-1.2 0, 0.0 -1,-0.1 0.554 91.5 82.6 -61.9 -4.4 42.3 64.2 48.7 12 12 A A T 3 S+ 0 0 21 511,-0.2 2,-0.3 -5,-0.1 50,-0.1 0.835 91.4 45.5 -69.4 -35.1 44.2 61.6 46.7 13 13 A N < - 0 0 10 -3,-1.9 2,-0.3 -6,-0.5 48,-0.2 -0.725 49.8-163.6-117.8 164.5 43.1 58.8 48.9 14 14 A W B +A 60 0A 1 46,-2.7 46,-1.3 -2,-0.3 6,-0.1 -0.802 24.3 173.4-139.8 83.3 40.1 57.3 50.7 15 15 A V + 0 0 0 4,-0.6 98,-0.6 -2,-0.3 2,-0.3 0.469 56.3 21.3 -77.9 -9.0 41.9 54.9 53.1 16 16 A M S > S- 0 0 7 3,-0.3 3,-2.0 96,-0.1 96,-0.1 -0.950 92.0 -80.9-152.8 172.7 38.9 53.7 55.2 17 17 A T T 3 S+ 0 0 8 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.868 126.6 30.3 -43.2 -61.0 35.2 53.3 55.2 18 18 A G T 3 S- 0 0 0 2,-0.2 2,-2.5 228,-0.2 7,-1.3 -0.087 115.8-108.5 -95.1 35.9 34.1 56.8 56.2 19 19 A R S < S+ 0 0 19 -3,-2.0 -4,-0.6 4,-0.2 -3,-0.3 -0.269 92.2 16.1 70.2 -52.7 37.2 58.3 54.4 20 20 A D S > S- 0 0 37 -2,-2.5 3,-2.1 -6,-0.1 -2,-0.2 -0.845 96.1 -83.1-139.4 178.4 38.9 59.2 57.7 21 21 A Y T 3 S+ 0 0 13 1,-0.3 227,-2.2 -2,-0.3 -2,-0.1 0.704 121.2 61.9 -59.0 -21.0 38.6 58.5 61.4 22 22 A N T 3 S- 0 0 45 225,-0.2 290,-2.9 -4,-0.1 -1,-0.3 0.591 97.7-140.4 -81.1 -7.9 35.9 61.1 62.0 23 23 A A < + 0 0 0 -3,-2.1 -4,-0.2 288,-0.2 -2,-0.1 0.941 55.1 136.8 48.0 61.3 33.6 59.1 59.6 24 24 A Q - 0 0 23 -6,-0.9 376,-2.2 2,-0.1 457,-0.3 0.562 55.2-141.0-110.0 -13.3 32.1 62.1 57.9 25 25 A N + 0 0 0 -7,-1.3 456,-1.7 374,-0.2 2,-0.4 0.917 55.0 144.0 50.3 44.7 32.2 61.0 54.3 26 26 A Y E -e 481 0B 27 -8,-0.3 2,-0.4 454,-0.2 456,-0.2 -0.938 37.8-158.6-120.1 139.7 33.1 64.5 53.5 27 27 A S E -e 482 0B 3 454,-1.7 456,-2.1 -2,-0.4 457,-0.2 -0.939 15.8-151.2-118.9 139.6 35.5 65.8 50.8 28 28 A E + 0 0 149 -2,-0.4 -1,-0.1 454,-0.2 454,-0.1 0.548 63.7 115.7 -81.8 -8.0 37.2 69.2 50.8 29 29 A M + 0 0 10 1,-0.1 455,-0.7 -18,-0.1 454,-0.4 -0.299 38.1 178.1 -66.6 145.0 37.3 69.2 47.0 30 30 A T + 0 0 76 453,-0.2 -1,-0.1 454,-0.1 452,-0.0 0.300 52.9 104.3-127.9 4.5 35.4 71.8 45.0 31 31 A D S S+ 0 0 58 1,-0.1 2,-0.6 2,-0.0 5,-0.1 0.946 87.5 47.3 -52.3 -49.7 36.3 70.8 41.4 32 32 A I S S+ 0 0 1 3,-0.1 2,-0.2 498,-0.1 452,-0.2 -0.848 86.8 144.5 -94.2 120.8 32.8 69.3 41.2 33 33 A N > - 0 0 36 -2,-0.6 4,-1.4 452,-0.1 452,-0.2 -0.778 64.3 -73.3-143.4-172.6 30.2 71.8 42.6 34 34 A K T 4 S+ 0 0 64 450,-1.4 4,-0.3 -2,-0.2 3,-0.1 0.855 124.4 53.7 -55.8 -40.5 26.7 73.2 42.2 35 35 A E T 4 S+ 0 0 164 1,-0.2 3,-0.3 449,-0.1 -1,-0.2 0.937 121.7 23.9 -61.5 -51.8 27.7 75.1 39.1 36 36 A N T >4 S+ 0 0 28 1,-0.2 3,-1.8 -5,-0.1 -1,-0.2 0.301 86.7 101.7-103.2 8.5 29.1 72.2 37.0 37 37 A V G >< S+ 0 0 0 -4,-1.4 3,-1.6 1,-0.3 -1,-0.2 0.734 73.1 72.5 -65.2 -17.5 27.5 69.1 38.5 38 38 A K G 3 S+ 0 0 145 -3,-0.3 -1,-0.3 1,-0.3 471,-0.1 0.751 94.6 52.9 -66.7 -23.0 25.2 69.2 35.4 39 39 A Q G < S+ 0 0 87 -3,-1.8 542,-2.7 2,-0.1 2,-0.3 0.232 76.9 132.5 -96.5 12.1 28.2 68.1 33.3 40 40 A L E < +I 580 0C 2 -3,-1.6 540,-0.2 540,-0.2 469,-0.1 -0.512 32.6 172.5 -69.5 124.8 29.0 65.1 35.5 41 41 A R E -I 579 0C 30 538,-3.3 538,-2.7 -2,-0.3 541,-0.3 -0.925 38.8 -88.9-134.5 158.6 29.5 62.0 33.3 42 42 A P E -I 578 0C 2 0, 0.0 536,-0.3 0, 0.0 3,-0.1 -0.484 32.1-175.1 -67.0 126.2 30.6 58.3 33.6 43 43 A A E - 0 0 2 534,-2.9 1153,-0.4 1,-0.4 2,-0.3 0.841 62.9 -36.2 -89.7 -41.7 34.4 58.0 33.1 44 44 A W E -I 577 0C 3 533,-1.0 533,-2.4 1151,-0.1 -1,-0.4 -0.965 56.2-144.0-171.3 170.1 34.6 54.2 33.2 45 45 A S E -I 576 0C 0 1151,-1.1 2,-0.3 -2,-0.3 531,-0.2 -0.936 2.5-157.0-145.5 167.9 33.1 51.1 34.8 46 46 A F E -I 575 0C 4 529,-1.9 529,-2.5 -2,-0.3 2,-0.3 -0.950 12.3-144.5-151.4 124.4 33.9 47.6 36.2 47 47 A S E -I 574 0C 5 1151,-2.7 527,-0.3 -2,-0.3 1208,-0.2 -0.709 10.4-145.8 -89.0 141.7 31.6 44.6 36.7 48 48 A T - 0 0 3 525,-0.9 1208,-0.2 -2,-0.3 526,-0.1 0.567 30.4-124.2 -84.5 -9.2 32.4 42.5 39.7 49 49 A G S S+ 0 0 14 1207,-0.9 2,-0.3 524,-0.4 1208,-0.2 0.554 82.5 86.0 78.6 6.2 31.5 39.1 38.1 50 50 A V - 0 0 23 1206,-0.2 -2,-0.3 2,-0.1 -1,-0.2 -0.981 62.7-146.9-140.2 149.7 29.0 38.5 40.9 51 51 A L + 0 0 28 -2,-0.3 522,-0.1 20,-0.1 487,-0.0 -0.179 52.5 71.7 -98.5-163.0 25.4 39.3 41.7 52 52 A H S S- 0 0 29 485,-0.2 486,-0.2 -2,-0.1 520,-0.1 0.072 93.5 -15.9 76.6 167.1 23.7 40.0 45.1 53 53 A G - 0 0 0 1,-0.1 2,-0.6 486,-0.1 55,-0.3 -0.043 51.6-162.3 -44.9 126.7 24.0 43.0 47.3 54 54 A H + 0 0 2 482,-2.3 463,-0.5 53,-0.1 -1,-0.1 -0.770 25.1 166.4-114.2 84.5 27.0 45.3 46.7 55 55 A E + 0 0 3 -2,-0.6 463,-0.3 53,-0.4 13,-0.1 -0.291 35.3 33.4 -91.5 176.8 27.4 47.4 49.9 56 56 A G S S- 0 0 1 461,-0.5 478,-0.4 -2,-0.1 54,-0.2 -0.150 81.6 -90.3 72.6-171.5 30.2 49.6 51.2 57 57 A T - 0 0 5 52,-0.4 54,-0.4 461,-0.2 11,-0.1 -0.961 35.2 -96.9-140.0 155.3 32.5 51.7 49.0 58 58 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.312 33.8-128.3 -70.7 158.0 35.9 51.1 47.2 59 59 A L E - B 0 66A 2 7,-1.9 7,-3.7 -44,-0.1 2,-0.5 -0.893 17.8-158.7-108.5 138.0 39.1 52.2 48.8 60 60 A V E +AB 14 65A 0 -46,-1.3 -46,-2.7 -2,-0.4 2,-0.3 -0.966 17.0 167.8-120.9 128.5 41.6 54.3 46.9 61 61 A V E > - B 0 64A 20 3,-2.8 3,-0.8 -2,-0.5 2,-0.4 -0.839 65.7 -52.0-140.7 98.6 45.3 54.6 47.8 62 62 A G T 3 S- 0 0 33 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.590 123.4 -11.3 75.9-127.5 47.5 56.2 45.2 63 63 A D T 3 S+ 0 0 82 -2,-0.4 17,-3.2 -3,-0.1 18,-0.5 0.143 122.0 88.0 -92.4 18.6 47.1 54.7 41.8 64 64 A R E < -BC 61 79A 80 -3,-0.8 -3,-2.8 15,-0.2 2,-0.5 -0.965 53.3-166.3-128.2 136.3 45.1 51.8 43.2 65 65 A M E -BC 60 78A 0 13,-1.7 13,-2.6 -2,-0.4 2,-0.5 -0.964 16.0-149.3-114.9 128.0 41.4 51.2 43.9 66 66 A F E -BC 59 77A 3 -7,-3.7 -7,-1.9 -2,-0.5 2,-0.5 -0.853 11.0-164.7-102.8 130.7 40.5 48.2 46.1 67 67 A I E - C 0 76A 0 9,-2.5 9,-2.7 -2,-0.5 2,-0.2 -0.944 4.2-166.1-122.7 120.5 37.1 46.5 45.5 68 68 A H - 0 0 4 -2,-0.5 7,-0.2 7,-0.2 6,-0.1 -0.561 12.7-159.4 -93.0 162.3 35.4 44.0 47.9 69 69 A T - 0 0 2 -2,-0.2 41,-0.1 5,-0.1 -15,-0.1 -0.925 21.3-101.9-141.1 161.8 32.5 41.9 46.8 70 70 A P S >> S+ 0 0 3 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.209 81.9 1.3 -72.9-179.8 29.6 39.9 48.3 71 71 A F T 34 S+ 0 0 24 35,-1.8 -20,-0.1 1,-0.4 35,-0.1 -0.014 134.5 29.1 -38.5 136.0 30.0 36.1 48.6 72 72 A P T 34 S- 0 0 34 0, 0.0 -1,-0.4 0, 0.0 -22,-0.0 -0.880 99.1-145.7 -78.9 22.6 32.4 34.5 47.8 73 73 A N T <4 + 0 0 3 -3,-2.2 2,-0.2 1,-0.2 -2,-0.2 0.845 24.9 179.3 56.2 43.0 33.9 37.9 48.7 74 74 A T < - 0 0 11 -4,-0.5 2,-0.4 17,-0.1 17,-0.2 -0.559 20.2-137.2 -75.4 140.2 36.7 37.9 46.2 75 75 A T E - D 0 90A 1 15,-2.0 15,-2.1 -2,-0.2 2,-0.3 -0.816 17.1-160.7-100.9 139.0 38.9 41.1 46.4 76 76 A F E -CD 67 89A 0 -9,-2.7 -9,-2.5 -2,-0.4 2,-0.4 -0.857 9.1-155.2-119.0 154.2 40.0 43.0 43.3 77 77 A A E -CD 66 88A 0 11,-2.1 10,-2.1 -2,-0.3 11,-1.2 -0.974 15.1-161.9-131.0 115.9 42.8 45.6 42.8 78 78 A L E -CD 65 86A 0 -13,-2.6 -13,-1.7 -2,-0.4 2,-0.8 -0.774 19.6-127.9-103.0 144.1 42.4 48.0 39.9 79 79 A D E > -C 64 0A 28 6,-1.4 3,-1.6 3,-0.4 6,-0.3 -0.776 15.0-161.3 -87.3 109.4 45.1 50.2 38.2 80 80 A L T 3 S+ 0 0 6 -17,-3.2 -1,-0.2 -2,-0.8 -16,-0.1 0.740 87.9 68.9 -64.7 -21.4 43.8 53.7 38.2 81 81 A N T 3 S+ 0 0 72 -18,-0.5 -1,-0.3 1,-0.3 -17,-0.1 0.738 129.4 0.7 -67.8 -22.2 46.3 54.6 35.5 82 82 A E S X S- 0 0 38 -3,-1.6 3,-2.1 3,-0.1 -3,-0.4 -0.480 71.7-163.2-167.1 84.4 44.2 52.4 33.3 83 83 A P T 3 S+ 0 0 0 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.518 80.3 80.7 -49.7 -9.9 41.2 50.9 35.1 84 84 A G T 3 S+ 0 0 5 -5,-0.1 2,-0.3 -6,-0.1 -4,-0.1 0.863 81.5 72.4 -69.5 -35.5 40.8 48.3 32.4 85 85 A K S < S- 0 0 39 -3,-2.1 -6,-1.4 -6,-0.3 2,-0.7 -0.588 74.7-143.0 -83.8 142.6 43.5 46.2 33.8 86 86 A I E -D 78 0A 13 1166,-2.2 -8,-0.2 -2,-0.3 3,-0.1 -0.925 7.6-163.2-105.3 112.2 43.0 44.2 37.0 87 87 A L E - 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