==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-SEP-06 2J56 . COMPND 2 MOLECULE: METHYLAMINE DEHYDROGENASE HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR A.R.PEARSON,R.PAHL,V.L.DAVIDSON,C.M.WILMOT . 1207 6 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42303.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 778 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 402 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.0 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 . 131 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 0 2 0 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 1 1 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 PARALLEL BRIDGES PER LADDER . 8 12 14 10 9 15 5 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 13 5 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 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 K 0 0 98 0, 0.0 81,-1.5 0, 0.0 82,-0.7 0.000 360.0 360.0 360.0 6.2 68.2 43.0 101.3 2 3 A A E -A 81 0A 25 59,-0.6 2,-0.3 79,-0.3 79,-0.2 -0.979 360.0-143.5-152.1 159.6 65.6 42.8 104.1 3 4 A T E -A 80 0A 76 77,-2.5 77,-3.1 -2,-0.3 0, 0.0 -0.955 18.1-128.6-129.6 144.6 63.3 40.2 105.6 4 5 A I - 0 0 62 -2,-0.3 75,-0.2 75,-0.2 3,-0.1 -0.788 16.7-174.3-103.1 98.5 59.8 40.7 107.0 5 6 A P S S+ 0 0 68 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.950 80.9 16.8 -45.0 -62.7 59.2 39.4 110.5 6 7 A S - 0 0 36 72,-0.4 72,-0.3 1,-0.1 4,-0.1 -0.977 63.1-155.0-124.2 126.0 55.4 40.1 110.5 7 8 A E S S+ 0 0 154 -2,-0.4 -1,-0.1 -3,-0.1 70,-0.0 0.861 85.5 37.5 -65.6 -39.7 53.4 40.7 107.3 8 9 A S S S- 0 0 77 1,-0.1 68,-0.1 60,-0.1 63,-0.1 -0.843 102.5 -85.7-113.3 153.4 50.7 42.7 109.1 9 10 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 68,-0.2 -0.138 44.5-157.3 -52.5 148.0 51.1 45.2 112.1 10 11 A F E -B 76 0A 41 66,-2.0 66,-2.3 -4,-0.1 5,-0.0 -0.867 31.6 -78.2-128.5 160.9 51.1 43.8 115.6 11 12 A A E > -B 75 0A 50 -2,-0.3 3,-1.2 64,-0.2 64,-0.2 -0.327 34.7-139.1 -57.9 135.3 50.3 45.2 119.1 12 13 A A G > S+ 0 0 14 62,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.778 99.1 73.0 -68.1 -27.8 53.3 47.3 120.3 13 14 A A G 3 S+ 0 0 108 61,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.609 90.3 64.2 -59.7 -8.3 52.9 45.8 123.8 14 15 A E G < S+ 0 0 141 -3,-1.2 2,-0.4 2,-0.1 -1,-0.3 0.069 79.6 106.7-104.0 16.4 54.3 42.8 122.1 15 16 A V S < S- 0 0 32 -3,-1.9 2,-0.1 4,-0.0 -3,-0.0 -0.872 71.5-117.0-106.3 135.5 57.7 44.4 121.4 16 17 A A > - 0 0 73 -2,-0.4 3,-1.7 1,-0.1 -2,-0.1 -0.357 30.5-101.9 -75.5 142.7 60.8 43.4 123.4 17 18 A D T 3 S+ 0 0 170 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.264 108.1 17.8 -54.2 144.1 62.7 45.9 125.6 18 19 A G T 3 S+ 0 0 86 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.524 89.7 142.5 62.1 4.0 65.9 47.2 124.0 19 20 A A < - 0 0 38 -3,-1.7 2,-0.7 1,-0.1 -1,-0.2 -0.376 69.2 -94.2 -55.6 151.5 64.6 46.0 120.6 20 21 A I E -c 42 0A 48 21,-0.7 23,-2.6 -3,-0.1 2,-0.4 -0.707 57.8-176.7 -77.9 116.2 65.7 48.6 118.0 21 22 A V E -c 43 0A 44 -2,-0.7 2,-0.6 21,-0.2 23,-0.2 -0.951 27.6-165.6-124.5 131.4 62.7 51.0 117.7 22 23 A V E -c 44 0A 0 21,-2.0 23,-2.7 -2,-0.4 2,-0.2 -0.968 23.6-150.2-106.1 114.9 61.8 54.0 115.5 23 24 A D E -c 45 0A 43 -2,-0.6 7,-3.0 21,-0.2 2,-0.5 -0.576 0.7-148.0 -80.1 149.6 58.8 55.8 117.0 24 25 A I E +cD 46 29A 0 21,-2.5 23,-3.3 -2,-0.2 2,-0.3 -0.985 35.4 139.0-121.0 122.0 56.4 57.7 114.8 25 26 A A E > + D 0 28A 17 3,-1.8 3,-1.0 -2,-0.5 23,-0.0 -0.973 57.9 18.4-158.1 148.8 54.8 60.8 116.3 26 27 A K T 3 S- 0 0 170 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.887 127.5 -61.1 53.6 43.4 53.8 64.4 115.1 27 28 A M T 3 S+ 0 0 28 1,-0.2 2,-0.3 23,-0.1 -1,-0.2 0.808 115.7 102.2 56.0 35.2 54.1 63.4 111.5 28 29 A K E < S-D 25 0A 145 -3,-1.0 -3,-1.8 69,-0.1 2,-0.6 -0.996 77.3-120.2-143.4 147.9 57.8 62.4 111.8 29 30 A Y E -D 24 0A 7 69,-0.3 -5,-0.2 -2,-0.3 69,-0.1 -0.815 32.4-146.3 -77.7 120.1 60.0 59.4 112.1 30 31 A E S S+ 0 0 103 -7,-3.0 -1,-0.1 -2,-0.6 -6,-0.1 0.674 93.9 38.9 -74.6 -18.0 61.6 60.2 115.4 31 32 A T S S+ 0 0 55 -8,-0.4 -1,-0.3 1,-0.1 69,-0.3 -0.731 73.1 173.4-124.6 79.1 64.9 58.6 114.5 32 33 A P S S+ 0 0 74 0, 0.0 68,-1.3 0, 0.0 2,-0.4 0.648 72.9 42.7 -68.9 -14.8 65.1 59.7 110.8 33 34 A E E S-f 100 0B 105 66,-0.2 2,-0.4 -3,-0.1 68,-0.2 -0.849 76.4-178.4-132.8 101.0 68.7 58.3 110.4 34 35 A L E -f 101 0B 19 66,-2.5 68,-4.1 -2,-0.4 2,-0.5 -0.849 13.2-156.6-109.0 131.2 69.2 55.0 112.1 35 36 A H E +f 102 0B 92 -2,-0.4 2,-0.3 66,-0.2 68,-0.2 -0.927 25.6 157.6-107.8 121.3 72.4 53.0 112.2 36 37 A V E -f 103 0B 4 66,-2.8 68,-2.8 -2,-0.5 2,-0.3 -0.815 36.9-104.5-133.2 174.4 72.2 49.3 112.7 37 38 A K > - 0 0 122 -2,-0.3 3,-3.2 67,-0.3 44,-0.2 -0.778 48.1 -83.8-102.2 150.2 74.3 46.2 112.0 38 39 A V T 3 S+ 0 0 71 -2,-0.3 44,-0.2 1,-0.3 -1,-0.1 -0.251 122.2 28.4 -44.1 129.4 73.9 43.6 109.3 39 40 A G T 3 S+ 0 0 44 42,-3.3 -1,-0.3 1,-0.3 43,-0.1 0.204 89.9 137.9 95.5 -14.4 71.3 41.2 110.7 40 41 A D < - 0 0 51 -3,-3.2 41,-2.5 41,-0.3 2,-0.5 -0.279 47.2-138.1 -65.1 147.9 69.5 43.8 112.9 41 42 A T E - E 0 80A 55 39,-0.3 -21,-0.7 2,-0.0 2,-0.4 -0.955 14.8-158.7-106.5 123.1 65.7 44.0 113.2 42 43 A V E -cE 20 79A 0 37,-3.4 37,-2.5 -2,-0.5 2,-0.5 -0.870 3.3-161.2-101.1 137.6 64.2 47.5 113.1 43 44 A T E -cE 21 78A 7 -23,-2.6 -21,-2.0 -2,-0.4 2,-0.4 -0.963 2.5-157.0-123.3 117.7 60.7 48.0 114.6 44 45 A W E -cE 22 77A 0 33,-3.1 33,-2.1 -2,-0.5 2,-0.5 -0.722 10.4-166.4 -87.6 135.6 58.6 51.0 113.7 45 46 A I E -cE 23 76A 5 -23,-2.7 -21,-2.5 -2,-0.4 2,-0.6 -0.968 15.7-138.4-126.0 125.4 55.9 52.0 116.2 46 47 A N E -c 24 0A 0 29,-2.6 28,-3.4 -2,-0.5 29,-0.4 -0.683 16.7-176.7 -80.3 120.6 53.1 54.4 115.5 47 48 A R + 0 0 90 -23,-3.3 2,-0.3 -2,-0.6 -22,-0.1 0.336 60.1 62.3 -93.2 2.9 52.5 56.6 118.5 48 49 A E S S- 0 0 40 -24,-0.3 4,-0.1 2,-0.3 26,-0.1 -0.856 81.8-117.7-132.3 166.5 49.5 58.5 117.0 49 50 A A S S+ 0 0 20 -2,-0.3 24,-0.3 1036,-0.1 -1,-0.1 0.859 91.4 94.9 -68.4 -30.0 46.0 58.1 115.8 50 51 A M S S- 0 0 16 22,-0.1 -2,-0.3 1,-0.1 2,-0.1 -0.425 86.2-121.7 -58.8 117.9 47.1 59.3 112.3 51 52 A P + 0 0 12 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.431 39.7 172.1 -62.2 137.6 47.9 56.1 110.4 52 53 A H B +J 71 0C 0 19,-1.4 19,-3.7 -4,-0.1 2,-0.2 -0.966 10.0 176.8-136.8 160.7 51.5 55.8 109.0 53 54 A N - 0 0 0 -2,-0.3 2,-0.4 17,-0.2 17,-0.1 -0.790 30.7-107.2-137.8-171.3 53.7 53.1 107.4 54 55 A V - 0 0 0 -2,-0.2 14,-2.5 15,-0.2 2,-0.4 -0.969 31.1-171.8-117.9 147.7 57.2 52.7 105.9 55 56 A H E -GH 67 90B 12 35,-1.6 35,-1.9 -2,-0.4 2,-0.5 -0.983 9.2-168.5-145.1 122.2 57.7 52.5 102.2 56 57 A F E -G 66 0B 0 10,-3.4 10,-2.2 -2,-0.4 33,-0.1 -0.958 27.4-124.6-112.8 126.6 60.9 51.7 100.3 57 58 A V >> - 0 0 58 -2,-0.5 3,-1.7 31,-0.3 4,-0.6 -0.116 42.1 -72.5 -69.1 166.9 60.8 52.3 96.5 58 59 A A T 34 S+ 0 0 64 1,-0.2 6,-0.2 7,-0.2 5,-0.2 -0.315 120.8 28.8 -51.8 132.4 61.6 49.6 93.9 59 60 A G T 34 S+ 0 0 59 3,-2.1 -1,-0.2 5,-0.3 4,-0.2 0.367 100.8 84.3 95.6 -6.4 65.3 48.9 93.8 60 61 A V T <4 S+ 0 0 29 -3,-1.7 -2,-0.1 2,-0.2 3,-0.1 0.913 107.6 13.3 -89.3 -61.3 66.1 49.7 97.5 61 62 A L S < S- 0 0 15 -4,-0.6 -59,-0.6 3,-0.3 2,-0.3 0.399 137.7 -49.8 -96.2 4.4 65.2 46.5 99.4 62 63 A G S S- 0 0 32 -61,-0.1 -3,-2.1 1,-0.1 -1,-0.2 -0.948 84.8 -49.9 148.8-168.4 65.0 44.3 96.2 63 64 A E S S+ 0 0 189 -2,-0.3 2,-0.2 -5,-0.2 -1,-0.1 0.906 117.7 55.9 -71.5 -43.2 63.3 44.6 92.8 64 65 A A S S- 0 0 78 -6,-0.2 -5,-0.3 -3,-0.1 -3,-0.3 -0.593 94.0-106.3 -85.8 150.9 59.8 45.3 94.1 65 66 A A - 0 0 34 -2,-0.2 2,-0.8 -7,-0.2 -8,-0.2 -0.433 26.1-130.0 -64.4 145.0 59.0 48.3 96.3 66 67 A L E -G 56 0B 26 -10,-2.2 -10,-3.4 -9,-0.2 2,-0.8 -0.920 26.0-176.8 -99.0 110.6 58.3 47.4 100.0 67 68 A K E -G 55 0B 86 -2,-0.8 -12,-0.2 -12,-0.2 24,-0.0 -0.880 18.7-149.1-107.8 95.8 55.1 49.2 100.8 68 69 A G - 0 0 2 -14,-2.5 2,-0.1 -2,-0.8 24,-0.1 -0.118 22.3 -94.5 -63.5 158.3 54.6 48.4 104.5 69 70 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.462 45.2 -97.3 -71.3 148.8 51.1 48.1 106.0 70 71 A M - 0 0 27 -17,-0.1 2,-0.5 -2,-0.1 -17,-0.2 -0.506 36.4-142.6 -67.0 128.0 49.6 51.2 107.7 71 72 A M B -J 52 0C 0 -19,-3.7 -19,-1.4 -2,-0.3 3,-0.1 -0.842 9.4-150.8 -91.7 124.9 50.1 51.1 111.5 72 73 A K > - 0 0 34 -2,-0.5 3,-2.0 1,-0.2 -26,-0.3 -0.304 53.6 -49.9 -79.8 179.1 47.2 52.4 113.6 73 74 A K T 3 S+ 0 0 105 1010,-0.5 -26,-0.2 -24,-0.3 -1,-0.2 -0.244 130.8 5.7 -56.1 126.8 48.0 53.9 117.0 74 75 A E T 3 S+ 0 0 67 -28,-3.4 -62,-2.2 1,-0.3 2,-0.3 0.768 98.8 130.8 66.3 26.0 50.3 51.7 119.0 75 76 A Q E < -B 11 0A 41 -3,-2.0 -29,-2.6 -29,-0.4 2,-0.3 -0.804 40.9-157.2-100.1 154.0 50.8 49.2 116.2 76 77 A A E -BE 10 45A 0 -66,-2.3 -66,-2.0 -2,-0.3 2,-0.3 -0.891 10.8-167.5-131.2 158.7 54.3 48.2 115.2 77 78 A Y E - E 0 44A 3 -33,-2.1 -33,-3.1 -2,-0.3 2,-0.3 -0.977 11.5-152.6-152.1 137.6 55.9 46.8 112.1 78 79 A S E - E 0 43A 6 -72,-0.3 -72,-0.4 -2,-0.3 2,-0.3 -0.835 12.7-174.5-122.5 148.0 59.4 45.2 111.7 79 80 A L E - E 0 42A 0 -37,-2.5 -37,-3.4 -2,-0.3 2,-0.6 -0.996 15.3-148.5-135.4 134.4 62.1 44.7 109.1 80 81 A T E -AE 3 41A 24 -77,-3.1 -77,-2.5 -2,-0.3 2,-0.7 -0.893 17.1-143.1-100.2 118.0 65.3 42.6 109.4 81 82 A F E +A 2 0A 0 -41,-2.5 -42,-3.3 -2,-0.6 -41,-0.3 -0.717 21.0 177.9 -90.8 116.6 68.1 44.1 107.3 82 83 A T + 0 0 72 -81,-1.5 2,-0.3 -2,-0.7 -80,-0.2 0.236 60.3 46.4-105.9 12.7 70.2 41.3 105.8 83 84 A E S S- 0 0 88 -82,-0.7 20,-0.1 -46,-0.1 -1,-0.1 -0.945 83.4-108.0-160.5 130.9 72.8 43.3 103.8 84 85 A A + 0 0 54 -2,-0.3 2,-0.3 20,-0.1 20,-0.2 -0.198 69.3 88.2 -59.0 152.1 75.0 46.3 104.4 85 86 A G E S- I 0 103B 30 18,-2.4 18,-3.0 2,-0.0 2,-0.5 -0.920 76.3 -72.6 147.8-174.0 73.9 49.5 102.6 86 87 A T E - I 0 102B 74 -2,-0.3 2,-0.6 16,-0.2 16,-0.2 -0.983 38.7-167.6-123.6 122.4 71.7 52.6 103.0 87 88 A Y E - I 0 101B 7 14,-2.7 14,-2.6 -2,-0.5 2,-0.3 -0.930 3.1-160.7-119.1 111.5 68.0 52.2 102.7 88 89 A D E + I 0 100B 87 -2,-0.6 -31,-0.3 12,-0.2 2,-0.3 -0.659 15.7 172.6 -85.8 147.3 65.7 55.3 102.3 89 90 A Y E - I 0 99B 6 10,-2.7 10,-2.5 -2,-0.3 2,-0.3 -0.930 11.7-168.9-144.6 167.6 62.0 55.1 103.0 90 91 A H E -HI 55 98B 11 -35,-1.9 -35,-1.6 -2,-0.3 2,-0.6 -0.879 36.7 -91.6-145.4 177.7 58.9 57.4 103.3 91 92 A C E > - I 0 94B 0 6,-1.4 3,-1.3 3,-1.0 6,-0.3 -0.899 35.9-133.3 -97.0 121.3 55.3 57.3 104.5 92 93 A T T 3 S+ 0 0 2 -2,-0.6 -1,-0.2 1,-0.3 975,-0.1 0.872 103.4 29.3 -40.5 -63.5 53.0 56.3 101.6 93 94 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.621 126.5 49.4 -73.3 -10.9 50.3 59.1 102.2 94 95 A H E X + I 0 91B 1 -3,-1.3 3,-2.6 3,-0.1 -3,-1.0 -0.680 61.3 171.1-133.7 72.5 52.8 61.5 103.7 95 96 A P E 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.601 76.0 69.1 -68.4 -11.1 55.9 61.7 101.4 96 97 A F E 3 S+ 0 0 23 262,-0.1 2,-0.8 -5,-0.1 283,-0.1 0.622 82.1 85.8 -76.3 -16.1 57.3 64.5 103.4 97 98 A M E < + 0 0 3 -3,-2.6 -6,-1.4 -6,-0.3 2,-0.3 -0.798 67.5 169.1 -86.3 112.2 57.8 61.9 106.2 98 99 A R E + I 0 90B 112 -2,-0.8 -69,-0.3 -8,-0.2 2,-0.3 -0.935 13.3 169.7-129.0 150.4 61.3 60.4 105.3 99 100 A G E - 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