==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 17-DEC-93 2BBK . COMPND 2 MOLECULE: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR L.CHEN,F.S.MATHEWS . 960 4 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 341 35.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 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 . 95 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 6 12 12 6 15 3 0 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 . 2 2 12 4 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 19 H D 0 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.5 30.3 5.6 12.6 2 20 H E - 0 0 172 955,-0.0 874,-0.1 875,-0.0 875,-0.0 -0.686 360.0-148.8-113.6 87.7 31.0 8.7 10.4 3 21 H P + 0 0 24 0, 0.0 2,-0.2 0, 0.0 874,-0.2 -0.071 27.0 156.3 -58.7 141.8 34.2 10.7 10.6 4 22 H R - 0 0 145 872,-0.2 874,-2.3 874,-0.0 2,-0.5 -0.846 46.4 -91.3-147.9 178.6 34.3 14.4 9.9 5 23 H I B -a 878 0A 65 -2,-0.2 2,-0.1 872,-0.2 868,-0.0 -0.870 45.2-137.4 -96.1 124.4 36.3 17.5 10.6 6 24 H L - 0 0 32 872,-2.8 2,-0.4 -2,-0.5 875,-0.3 -0.417 3.0-136.7 -79.4 163.8 35.0 19.4 13.7 7 25 H E - 0 0 135 873,-0.1 80,-0.2 -2,-0.1 3,-0.1 -0.909 27.2-114.9-111.6 145.1 34.4 23.1 14.1 8 26 H A - 0 0 9 78,-2.9 34,-0.1 -2,-0.4 80,-0.0 -0.379 39.4 -91.6 -76.2 159.0 35.6 24.8 17.4 9 27 H P - 0 0 71 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.291 58.3 -81.5 -63.9 157.8 33.0 26.3 19.7 10 28 H A - 0 0 73 1,-0.1 76,-0.1 -3,-0.1 48,-0.0 -0.206 57.1 -93.3 -61.2 148.4 32.3 29.9 19.1 11 29 H P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.412 55.5 170.7 -63.8 141.3 34.8 32.2 20.7 12 30 H D > - 0 0 79 -3,-0.1 3,-1.7 340,-0.0 340,-0.2 -0.823 50.9 -86.6-139.7 177.7 33.7 33.4 24.2 13 31 H A T 3 S+ 0 0 31 1,-0.3 296,-0.4 -2,-0.3 297,-0.2 0.703 122.4 57.1 -60.9 -22.8 35.2 35.3 27.1 14 32 H R T 3 S+ 0 0 37 294,-0.1 21,-3.0 295,-0.1 2,-0.3 0.307 77.8 110.0 -91.8 -0.7 36.7 32.0 28.5 15 33 H R E < -B 34 0B 7 -3,-1.7 337,-0.4 19,-0.2 2,-0.4 -0.607 48.8-172.2 -74.8 142.1 38.7 31.1 25.4 16 34 H V E -B 33 0B 0 17,-2.7 17,-3.0 -2,-0.3 2,-0.5 -0.978 13.3-147.5-138.6 143.0 42.4 31.4 26.0 17 35 H Y E -BC 32 350B 8 333,-2.4 333,-2.7 -2,-0.4 2,-0.5 -0.971 8.6-166.5-113.9 136.3 45.3 31.1 23.6 18 36 H V E -BC 31 349B 0 13,-2.5 13,-3.1 -2,-0.5 2,-0.4 -0.960 6.6-157.0-123.5 122.5 48.8 29.8 24.5 19 37 H N E -BC 30 348B 7 329,-2.6 328,-2.4 -2,-0.5 329,-1.7 -0.883 2.0-157.2-100.2 139.9 51.7 30.3 22.2 20 38 H D E -B 29 0B 2 9,-2.9 9,-1.2 -2,-0.4 324,-0.1 -0.893 11.4-177.5-115.2 99.0 54.8 28.1 22.4 21 39 H P >> - 0 0 5 0, 0.0 3,-1.1 0, 0.0 4,-0.8 0.520 35.8-139.8 -70.6 -6.9 57.9 29.7 21.0 22 40 H A G >4 - 0 0 7 1,-0.3 3,-0.9 2,-0.2 5,-0.1 0.827 55.8 -62.5 54.8 41.1 59.6 26.4 21.7 23 41 H H G 34 S- 0 0 104 322,-0.4 -1,-0.3 1,-0.2 411,-0.2 0.870 105.7 -46.5 54.6 39.8 62.9 27.8 22.9 24 42 H F G <4 S+ 0 0 22 -3,-1.1 445,-0.4 1,-0.2 408,-0.4 0.621 91.7 161.2 79.9 16.5 63.7 29.5 19.6 25 43 H A << - 0 0 16 -3,-0.9 24,-0.6 -4,-0.8 -1,-0.2 -0.324 50.8-114.8 -67.2 158.0 62.8 26.5 17.3 26 44 H A S S+ 0 0 5 22,-0.1 2,-0.3 406,-0.1 40,-0.1 0.646 101.0 38.2 -67.2 -22.2 62.2 27.1 13.6 27 45 H V S S- 0 0 23 -5,-0.1 20,-0.3 21,-0.1 2,-0.2 -0.969 72.7-179.3-131.7 146.1 58.5 26.0 13.9 28 46 H T E - D 0 46B 4 18,-2.3 18,-2.5 -2,-0.3 2,-0.3 -0.781 14.5-132.7-136.6 176.5 56.1 26.7 16.7 29 47 H Q E -BD 20 45B 11 -9,-1.2 -9,-2.9 -2,-0.2 2,-0.4 -0.982 0.6-152.2-137.2 155.9 52.6 26.0 17.9 30 48 H Q E -BD 19 44B 9 14,-2.6 14,-2.2 -2,-0.3 2,-0.4 -0.974 15.4-151.5-124.7 132.8 49.6 27.9 19.3 31 49 H F E -BD 18 43B 0 -13,-3.1 -13,-2.5 -2,-0.4 2,-0.6 -0.927 2.0-152.9-107.2 128.5 47.1 26.1 21.5 32 50 H V E -BD 17 42B 1 10,-2.8 9,-2.5 -2,-0.4 10,-1.2 -0.925 24.1-175.2-100.7 124.5 43.4 27.3 21.6 33 51 H I E -BD 16 40B 0 -17,-3.0 -17,-2.7 -2,-0.6 2,-0.9 -0.925 31.8-133.5-128.3 140.7 41.9 26.3 24.9 34 52 H D E >> -BD 15 39B 35 5,-2.8 4,-2.1 -2,-0.4 5,-1.2 -0.820 20.5-160.5 -87.5 110.5 38.5 26.6 26.5 35 53 H G T 45S+ 0 0 0 -21,-3.0 -1,-0.2 -2,-0.9 -20,-0.1 0.782 84.7 58.1 -64.4 -25.5 39.3 28.0 29.9 36 54 H E T 45S+ 0 0 91 -22,-0.2 -1,-0.2 1,-0.2 -21,-0.1 0.918 119.1 26.6 -69.0 -47.0 36.0 26.8 31.4 37 55 H A T 45S- 0 0 61 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.616 100.7-128.0 -89.5 -22.2 36.4 23.1 30.6 38 56 H G T <5 + 0 0 19 -4,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.944 62.7 136.1 72.0 44.4 40.2 23.2 30.6 39 57 H R E < -D 34 0B 81 -5,-1.2 -5,-2.8 300,-0.1 2,-0.6 -0.963 61.4-118.4-129.6 141.9 40.3 21.5 27.2 40 58 H V E +D 33 0B 3 -2,-0.4 832,-0.3 -7,-0.2 -7,-0.3 -0.682 30.7 176.8 -76.9 121.3 42.3 22.0 24.1 41 59 H I E - 0 0 16 -9,-2.5 2,-0.3 -2,-0.6 -8,-0.2 0.439 59.6 -19.8-104.3 -3.7 39.8 22.9 21.3 42 60 H G E -D 32 0B 0 -10,-1.2 -10,-2.8 837,-0.1 2,-0.3 -0.954 54.0-137.9 176.5 172.8 42.2 23.6 18.5 43 61 H M E -D 31 0B 1 837,-0.4 2,-0.4 -2,-0.3 -12,-0.2 -0.958 4.6-153.9-147.0 161.3 45.8 24.4 17.4 44 62 H I E -D 30 0B 1 -14,-2.2 -14,-2.6 -2,-0.3 2,-0.3 -0.997 16.4-135.7-139.0 134.6 47.6 26.6 14.9 45 63 H D E +D 29 0B 3 -2,-0.4 2,-0.2 -16,-0.2 -16,-0.2 -0.778 27.1 178.8 -89.3 146.7 51.0 26.0 13.4 46 64 H G E -D 28 0B 3 -18,-2.5 -18,-2.3 -2,-0.3 3,-0.1 -0.823 20.9-125.7-141.5 169.6 53.5 28.9 13.1 47 65 H G - 0 0 0 -20,-0.3 2,-0.5 -2,-0.2 20,-0.2 0.289 64.6 -23.8 -90.6-137.7 57.1 29.6 12.0 48 66 H F S S- 0 0 2 18,-2.3 -1,-0.2 1,-0.2 18,-0.2 -0.658 119.6 -25.4 -82.5 126.5 60.0 31.2 13.8 49 67 H L S S- 0 0 1 -24,-0.6 55,-0.3 -2,-0.5 -1,-0.2 0.873 84.1-168.0 41.0 56.3 59.2 33.5 16.7 50 68 H P - 0 0 5 0, 0.0 15,-0.2 0, 0.0 -1,-0.1 -0.387 17.3-133.5 -73.9 156.2 55.7 34.5 15.5 51 69 H N E -E 64 0C 5 13,-2.1 13,-1.9 59,-0.1 2,-0.3 -0.940 22.5-154.6-109.0 116.4 53.7 37.3 16.9 52 70 H P E -E 63 0C 7 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.653 13.2-178.8 -91.7 152.4 50.1 36.5 17.7 53 71 H V E -E 62 0C 11 9,-2.6 9,-2.4 -2,-0.3 2,-0.4 -0.976 8.9-159.7-140.8 155.0 47.2 38.8 17.8 54 72 H V E -E 61 0C 17 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.996 24.3-118.6-140.0 127.8 43.5 38.2 18.6 55 73 H A > - 0 0 4 5,-2.1 3,-2.3 -2,-0.4 5,-0.2 -0.531 18.7-138.1 -65.6 130.3 40.6 40.5 17.7 56 74 H D T 3 S+ 0 0 42 1,-0.3 -1,-0.1 -2,-0.3 296,-0.1 0.784 104.0 55.4 -60.6 -27.1 38.8 41.7 20.8 57 75 H D T 3 S- 0 0 106 1,-0.1 -1,-0.3 3,-0.0 297,-0.1 0.470 111.8-121.1 -85.8 -0.5 35.5 41.2 19.2 58 76 H G S < S+ 0 0 12 -3,-2.3 -2,-0.1 2,-0.2 3,-0.1 0.549 75.6 125.4 75.0 11.9 36.4 37.5 18.4 59 77 H S S S- 0 0 62 1,-0.2 2,-0.3 25,-0.1 -3,-0.1 0.733 77.1 -15.0 -75.9 -21.3 36.0 37.9 14.7 60 78 H F - 0 0 26 -5,-0.2 -5,-2.1 24,-0.1 2,-0.3 -0.988 50.9-140.0-166.7 169.5 39.4 36.6 13.8 61 79 H I E +EF 54 83C 2 22,-1.4 22,-2.8 -2,-0.3 2,-0.3 -0.940 26.2 172.4-134.5 155.5 42.9 35.7 15.0 62 80 H A E -EF 53 82C 4 -9,-2.4 -9,-2.6 -2,-0.3 2,-0.3 -0.986 14.6-158.8-154.4 170.7 46.1 36.3 13.2 63 81 H H E -EF 52 81C 4 18,-2.0 18,-2.1 -2,-0.3 2,-0.5 -0.991 19.9-132.6-152.9 155.0 49.9 36.1 13.4 64 82 H A E +EF 51 80C 0 -13,-1.9 -13,-2.1 -2,-0.3 2,-0.3 -0.938 45.0 169.3-102.0 132.3 53.0 37.6 11.8 65 83 H S E - F 0 79C 0 14,-3.1 14,-2.3 -2,-0.5 2,-0.4 -0.843 29.4-139.9-145.0 171.8 55.3 34.7 11.0 66 84 H T E + F 0 78C 0 -2,-0.3 -18,-2.3 12,-0.2 2,-0.3 -0.995 16.8 176.7-142.1 130.7 58.5 33.7 9.2 67 85 H V E - F 0 77C 17 10,-2.6 10,-2.6 -2,-0.4 2,-0.3 -0.876 15.8-144.8-128.8 161.0 59.4 30.5 7.3 68 86 H F E > - F 0 76C 24 3,-0.4 3,-0.8 -2,-0.3 8,-0.2 -0.920 22.6-122.6-125.5 153.6 62.5 29.5 5.3 69 87 H S E 3 S+ 0 0 41 6,-1.7 5,-0.2 -2,-0.3 7,-0.1 0.749 110.4 34.7 -69.0 -19.7 62.7 27.4 2.2 70 88 H R E > S- F 0 73C 30 3,-2.1 2,-2.6 5,-0.2 3,-0.7 -0.447 121.1 -91.0-133.6 61.9 65.0 24.8 3.8 71 89 H I T < S+ 0 0 13 -3,-0.8 -3,-0.4 1,-0.3 359,-0.1 -0.394 112.8 1.3 70.3 -70.0 63.8 24.6 7.4 72 90 H A T 3 S+ 0 0 1 -2,-2.6 396,-0.4 357,-0.2 395,-0.3 0.280 132.0 37.5-134.0 12.1 66.1 27.2 8.9 73 91 H R E < S+F 70 0C 46 -3,-0.7 -3,-2.1 393,-0.1 2,-0.3 -0.878 79.5 61.4-149.6-179.5 68.1 28.5 5.9 74 92 H G E S+ 0 0 56 -2,-0.3 2,-0.2 -5,-0.2 355,-0.0 -0.681 100.8 2.1 92.1-157.8 67.5 29.3 2.3 75 93 H E E S- 0 0 138 -2,-0.3 -6,-1.7 -7,-0.1 2,-0.4 -0.489 71.9-140.5 -71.4 131.7 65.0 32.0 1.2 76 94 H R E -F 68 0C 54 -2,-0.2 2,-0.4 -8,-0.2 -8,-0.2 -0.736 16.5-171.4 -92.4 141.5 63.2 33.7 4.0 77 95 H T E -F 67 0C 18 -10,-2.6 -10,-2.6 -2,-0.4 2,-0.3 -0.969 3.8-168.3-133.5 119.1 59.5 34.6 3.8 78 96 H D E +FG 66 96C 2 18,-0.6 18,-2.7 -2,-0.4 2,-0.3 -0.800 24.1 156.8 -96.5 142.4 57.8 36.8 6.4 79 97 H Y E -FG 65 95C 0 -14,-2.3 -14,-3.1 -2,-0.3 2,-0.4 -0.983 38.7-126.5-159.2 165.9 54.0 36.9 6.2 80 98 H V E -FG 64 94C 0 14,-2.2 14,-3.0 -2,-0.3 2,-0.4 -0.966 22.5-166.8-115.0 139.1 50.8 37.5 8.0 81 99 H E E -FG 63 93C 1 -18,-2.1 -18,-2.0 -2,-0.4 2,-0.4 -0.987 5.3-157.3-125.7 138.4 48.0 34.9 8.1 82 100 H V E -FG 62 92C 12 10,-1.9 9,-3.0 -2,-0.4 10,-1.2 -0.912 14.1-162.3-109.2 140.2 44.5 35.5 9.3 83 101 H F E -FG 61 90C 4 -22,-2.8 -22,-1.4 -2,-0.4 6,-0.0 -0.944 23.3-116.4-127.0 146.1 42.4 32.6 10.5 84 102 H D > - 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