==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 26-OCT-93 2MTA . COMPND 2 MOLECULE: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR L.CHEN,F.S.MATHEWS . 750 4 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 480 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 205 27.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 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 . 71 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 1 2 0 0 0 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 1 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 . 5 6 7 5 3 8 2 0 1 1 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 0 5 4 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 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 H Q > 0 0 161 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-138.9 35.0 -23.4 4.5 2 2 H G H >> + 0 0 54 2,-0.2 4,-2.2 3,-0.2 3,-0.5 0.997 360.0 38.6 -61.2 -75.6 36.5 -23.5 0.9 3 3 H Q H 3> S+ 0 0 167 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.760 120.6 49.0 -43.8 -42.2 39.3 -26.1 1.1 4 4 H A H 3> S+ 0 0 28 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.884 115.9 40.0 -67.9 -48.7 37.1 -28.3 3.3 5 5 H A H S+ 0 0 84 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.894 108.5 45.6 -50.4 -41.8 31.4 -36.1 -4.0 13 13 H L H ><5S+ 0 0 119 -4,-1.6 3,-2.1 3,-0.2 -2,-0.2 0.919 106.8 53.2 -70.8 -49.0 31.9 -36.0 -7.7 14 14 H A H 3<5S+ 0 0 98 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.621 111.2 50.6 -66.8 -12.2 34.5 -38.7 -7.9 15 15 H A T 3<5S- 0 0 88 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.331 123.6-112.2 -99.2 -1.7 32.0 -40.8 -5.9 16 16 H G T < 5 + 0 0 59 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.237 60.0 153.3 97.2 -8.2 29.3 -39.9 -8.5 17 17 H Q < - 0 0 138 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.380 26.4-158.3 -77.1 120.8 26.9 -37.6 -6.6 18 18 H D - 0 0 132 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 -0.615 25.3-105.8 -92.7 153.8 24.8 -35.0 -8.3 19 19 H D - 0 0 124 -2,-0.3 -1,-0.1 1,-0.0 0, 0.0 -0.574 22.6-170.1 -87.6 125.5 23.4 -32.0 -6.6 20 20 H E - 0 0 185 -2,-0.3 -1,-0.0 2,-0.0 -2,-0.0 -0.881 31.0-138.6-114.3 94.8 19.6 -31.5 -5.6 21 21 H P + 0 0 122 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.117 31.1 163.5 -56.2 142.6 19.5 -27.9 -4.5 22 22 H R - 0 0 205 0, 0.0 2,-0.6 0, 0.0 -2,-0.0 -0.927 43.5 -95.2-145.1 171.7 17.5 -26.8 -1.5 23 23 H I - 0 0 163 -2,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.857 47.7-135.3 -86.7 119.4 17.1 -23.9 1.0 24 24 H L - 0 0 124 -2,-0.6 2,-0.4 1,-0.0 -1,-0.0 -0.148 5.7-132.1 -69.0 166.1 19.2 -24.6 4.1 25 25 H E - 0 0 136 81,-0.0 80,-0.2 35,-0.0 3,-0.1 -0.959 25.5-113.3-118.1 142.1 18.2 -24.2 7.8 26 26 H A - 0 0 11 78,-3.0 34,-0.1 -2,-0.4 80,-0.1 -0.468 39.2 -98.7 -71.8 138.6 20.4 -22.5 10.3 27 27 H P - 0 0 71 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.379 57.0 -82.2 -50.5 139.9 21.8 -24.6 13.0 28 28 H A - 0 0 77 1,-0.1 76,-0.1 -3,-0.1 48,-0.0 -0.122 61.3 -85.4 -54.1 146.2 19.7 -24.3 16.3 29 29 H P + 0 0 32 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.338 56.8 172.4 -63.5 131.8 20.7 -21.2 18.4 30 30 H D > - 0 0 73 -3,-0.1 3,-1.3 342,-0.0 340,-0.2 -0.752 47.8 -94.2-124.1-178.9 23.6 -21.8 20.7 31 31 H A T 3 S+ 0 0 26 1,-0.3 296,-0.4 -2,-0.2 339,-0.2 0.615 120.2 60.1 -73.9 -14.3 25.8 -19.4 23.0 32 32 H R T 3 S+ 0 0 49 294,-0.1 21,-2.5 337,-0.1 2,-0.3 0.359 76.4 112.7 -90.2 1.6 28.4 -18.9 20.3 33 33 H R E < -A 52 0A 6 -3,-1.3 337,-0.5 19,-0.2 2,-0.4 -0.630 48.6-172.6 -76.6 128.7 25.8 -17.4 17.9 34 34 H V E -A 51 0A 0 17,-2.2 17,-2.8 -2,-0.3 2,-0.5 -0.998 13.2-147.4-125.9 132.4 26.7 -13.7 17.4 35 35 H Y E -AB 50 368A 7 333,-2.6 333,-1.4 -2,-0.4 2,-0.5 -0.870 9.8-166.4 -97.4 118.7 24.6 -11.1 15.5 36 36 H V E -AB 49 367A 0 13,-2.3 13,-2.9 -2,-0.5 2,-0.4 -0.922 5.5-160.2-108.5 130.3 26.3 -8.2 13.6 37 37 H N E -AB 48 366A 7 329,-2.5 328,-2.5 -2,-0.5 329,-1.5 -0.893 4.1-158.2-105.2 134.2 24.2 -5.3 12.5 38 38 H D E -A 47 0A 0 9,-2.8 9,-1.1 -2,-0.4 324,-0.1 -0.900 11.5-176.8-115.3 101.7 25.3 -3.0 9.8 39 39 H P >> - 0 0 5 0, 0.0 3,-1.6 0, 0.0 4,-0.7 0.455 34.4-142.6 -62.7 -13.4 23.5 0.4 9.9 40 40 H A G >4 - 0 0 7 1,-0.3 3,-0.8 2,-0.2 5,-0.1 0.793 57.2 -63.3 54.4 33.7 25.5 1.1 6.7 41 41 H H G 34 S- 0 0 101 322,-0.4 -1,-0.3 1,-0.3 411,-0.1 0.829 101.9 -47.3 61.2 42.5 26.1 4.7 7.6 42 42 H F G <4 S+ 0 0 20 -3,-1.6 445,-0.4 1,-0.2 408,-0.3 0.652 89.8 158.5 74.2 23.7 22.5 5.8 7.6 43 43 H A << - 0 0 17 -3,-0.8 24,-0.6 -4,-0.7 -1,-0.2 -0.422 52.7-114.4 -71.4 152.5 21.6 4.1 4.3 44 44 H A S S+ 0 0 5 22,-0.2 2,-0.3 406,-0.1 -1,-0.1 0.474 99.1 41.1 -67.6 -12.2 18.0 3.5 3.9 45 45 H V S S- 0 0 104 -5,-0.1 20,-0.3 20,-0.1 2,-0.3 -0.971 73.2-174.2-138.3 144.6 18.2 -0.4 3.9 46 46 H T E - C 0 64A 7 18,-2.4 18,-2.5 -2,-0.3 2,-0.3 -0.854 13.5-135.6-135.8 169.7 20.5 -2.4 6.2 47 47 H Q E -AC 38 63A 60 -9,-1.1 -9,-2.8 -2,-0.3 2,-0.4 -0.914 1.6-157.0-130.8 153.6 21.7 -6.0 6.9 48 48 H Q E -AC 37 62A 5 14,-1.8 14,-1.8 -2,-0.3 2,-0.4 -0.998 15.6-150.2-126.6 131.2 22.2 -8.1 10.0 49 49 H F E -AC 36 61A 11 -13,-2.9 -13,-2.3 -2,-0.4 2,-0.6 -0.876 3.9-148.4-103.1 133.7 24.7 -11.0 9.6 50 50 H V E -AC 35 60A 0 10,-2.3 9,-3.2 -2,-0.4 10,-0.9 -0.925 27.4-174.7-101.8 118.0 24.0 -14.1 11.8 51 51 H I E -AC 34 58A 0 -17,-2.8 -17,-2.2 -2,-0.6 2,-0.9 -0.837 31.9-136.2-118.2 153.1 27.5 -15.6 12.6 52 52 H D E >> -AC 33 57A 35 5,-2.6 4,-2.5 -2,-0.3 5,-1.2 -0.862 21.6-161.6-102.8 103.0 28.6 -18.8 14.3 53 53 H G T 45S+ 0 0 0 -21,-2.5 -1,-0.2 -2,-0.9 -20,-0.1 0.771 83.3 57.3 -63.3 -25.0 31.4 -17.2 16.4 54 54 H E T 45S+ 0 0 76 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.950 118.6 27.2 -67.5 -57.2 33.0 -20.6 17.0 55 55 H A T 45S- 0 0 66 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.693 104.0-127.1 -81.2 -16.0 33.5 -21.7 13.4 56 56 H G T <5 + 0 0 21 -4,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.893 61.5 142.0 69.8 43.5 33.8 -18.0 12.3 57 57 H R E < -C 52 0A 151 -5,-1.2 -5,-2.6 300,-0.1 2,-0.3 -0.946 56.8-129.3-122.3 129.4 31.0 -18.7 9.7 58 58 H V E +C 51 0A 51 -2,-0.4 -7,-0.3 -7,-0.2 3,-0.1 -0.643 30.5 179.0 -71.6 127.5 28.2 -16.4 8.5 59 59 H I E - 0 0 28 -9,-3.2 2,-0.3 -2,-0.3 -8,-0.2 0.312 55.7 -15.9-117.5 6.6 25.2 -18.7 8.8 60 60 H G E -C 50 0A 17 -10,-0.9 -10,-2.3 -34,-0.1 -1,-0.3 -0.954 56.4-145.9 176.0 175.4 22.3 -16.5 7.8 61 61 H M E -C 49 0A 77 -2,-0.3 2,-0.3 -12,-0.3 -12,-0.2 -0.947 2.8-153.5-153.1 167.6 21.4 -12.9 7.2 62 62 H I E -C 48 0A 8 -14,-1.8 -14,-1.8 -2,-0.3 2,-0.4 -0.976 15.0-136.1-141.6 146.2 18.2 -10.6 7.6 63 63 H D E +C 47 0A 117 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.839 26.7 173.1-105.5 150.8 17.3 -7.5 5.8 64 64 H G E -C 46 0A 9 -18,-2.5 -18,-2.4 -2,-0.4 3,-0.1 -0.853 23.8-112.5-144.6-179.5 16.0 -4.4 7.3 65 65 H G - 0 0 1 -2,-0.3 2,-0.4 -20,-0.3 20,-0.2 0.329 65.5 -26.0 -94.4-147.1 15.0 -0.8 6.8 66 66 H F S S- 0 0 0 18,-2.6 18,-0.3 1,-0.2 -1,-0.2 -0.599 117.0 -27.0 -78.2 122.7 16.3 2.5 7.9 67 67 H L S S- 0 0 2 -24,-0.6 55,-0.3 -2,-0.4 -1,-0.2 0.871 84.1-170.6 50.0 50.9 18.2 2.5 11.3 68 68 H P - 0 0 4 0, 0.0 15,-0.2 0, 0.0 -1,-0.1 -0.387 21.9-127.0 -76.4 166.8 16.5 -0.6 12.9 69 69 H N E -D 82 0B 7 13,-1.9 13,-1.6 -2,-0.1 2,-0.2 -0.933 23.3-148.9-118.8 107.5 16.8 -1.8 16.4 70 70 H P E -D 81 0B 7 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.589 15.1-176.3 -75.5 145.8 17.8 -5.4 16.7 71 71 H V E -D 80 0B 13 9,-2.2 9,-2.3 -2,-0.2 2,-0.4 -0.997 7.4-165.8-141.8 138.2 16.6 -7.6 19.6 72 72 H V E -D 79 0B 18 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.987 25.5-124.6-123.6 126.4 17.5 -11.2 20.4 73 73 H A > - 0 0 5 5,-2.0 3,-2.4 -2,-0.4 5,-0.2 -0.626 21.4-133.8 -69.2 134.8 15.5 -13.3 22.9 74 74 H D T 3 S+ 0 0 43 -2,-0.3 299,-0.4 1,-0.3 -1,-0.2 0.794 105.3 55.5 -56.8 -27.3 18.1 -14.6 25.5 75 75 H D T 3 S- 0 0 81 297,-0.2 -1,-0.3 298,-0.1 297,-0.1 0.353 113.4-118.8 -89.7 3.2 16.6 -18.0 25.4 76 76 H G S < S+ 0 0 11 -3,-2.4 -2,-0.1 2,-0.2 3,-0.1 0.678 75.4 123.3 74.1 15.8 17.1 -18.2 21.5 77 77 H S S S- 0 0 63 1,-0.2 2,-0.3 25,-0.1 -1,-0.1 0.579 79.0 -11.6 -86.0 -12.9 13.4 -18.6 20.5 78 78 H F - 0 0 31 -5,-0.2 -5,-2.0 24,-0.1 2,-0.3 -0.978 50.4-143.0-167.8 167.3 13.3 -15.6 18.2 79 79 H I E +DE 72 101B 1 22,-1.4 22,-2.7 -2,-0.3 2,-0.3 -0.940 28.0 174.0-131.3 156.4 15.0 -12.6 17.0 80 80 H A E -DE 71 100B 1 -9,-2.3 -9,-2.2 -2,-0.3 2,-0.3 -0.919 13.6-163.4-148.7 175.3 13.1 -9.4 16.1 81 81 H H E -DE 70 99B 4 18,-1.8 18,-2.7 -2,-0.3 2,-0.5 -0.946 22.5-131.5-161.1 155.9 13.6 -5.8 15.1 82 82 H A E +DE 69 98B 0 -13,-1.6 -13,-1.9 -2,-0.3 16,-0.3 -0.942 43.3 175.9-103.6 138.9 11.7 -2.8 14.9 83 83 H S E - E 0 97B 0 14,-3.2 14,-2.2 -2,-0.5 2,-0.4 -0.866 27.5-137.3-144.4 167.5 12.3 -1.2 11.4 84 84 H T E + E 0 96B 0 -18,-0.3 -18,-2.6 -2,-0.2 2,-0.3 -0.993 22.3 173.0-132.1 132.1 11.2 1.7 9.0 85 85 H V E - 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