==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-SEP-06 2J55 . 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 . 1221 6 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 777 63.6 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 . 395 32.4 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 . 3 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 . 138 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 0 0 0 0 0 0 0 0 0 0 0 1 0 1 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 . 11 12 10 12 8 16 3 0 3 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 1 11 7 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 0 113 0, 0.0 81,-1.2 0, 0.0 82,-0.4 0.000 360.0 360.0 360.0 11.9 68.9 43.5 101.1 2 3 A A E -A 81 0A 22 59,-0.6 2,-0.3 79,-0.2 79,-0.2 -0.941 360.0-132.8-173.0 171.0 66.7 43.0 104.2 3 4 A T E -A 80 0A 82 77,-2.4 77,-2.8 -2,-0.2 0, 0.0 -0.969 18.3-118.1-140.4 160.2 63.8 40.7 105.5 4 5 A I - 0 0 71 -2,-0.3 75,-0.2 75,-0.2 -2,-0.0 -0.876 13.3-169.0-113.5 110.4 60.5 41.2 107.3 5 6 A P S S+ 0 0 67 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.984 85.5 19.8 -45.7 -87.3 59.6 39.8 110.8 6 7 A S - 0 0 38 72,-0.3 72,-0.1 1,-0.2 4,-0.1 -0.600 66.7-154.9 -78.1 148.1 55.8 40.5 110.7 7 8 A E S S+ 0 0 165 1,-0.4 -1,-0.2 -2,-0.2 70,-0.0 0.857 89.5 28.1 -83.9 -45.0 54.2 41.0 107.3 8 9 A S S S- 0 0 84 1,-0.1 -1,-0.4 -3,-0.1 60,-0.0 -0.924 105.1 -87.5-121.1 146.6 51.5 43.0 109.0 9 10 A P - 0 0 34 0, 0.0 2,-0.3 0, 0.0 68,-0.2 0.248 36.1-150.8 -69.1 171.9 52.0 45.1 112.3 10 11 A F E -B 76 0A 36 66,-2.5 66,-2.1 1,-0.1 3,-0.0 -0.913 27.4 -75.3-142.6 156.3 51.7 44.3 116.0 11 12 A A E -B 75 0A 54 -2,-0.3 2,-0.7 64,-0.2 64,-0.2 -0.079 44.2-116.6 -49.6 145.7 50.9 45.6 119.5 12 13 A A S S+ 0 0 43 62,-1.3 2,-0.3 2,-0.1 -1,-0.1 -0.848 105.4 59.3 -97.7 106.9 53.5 47.8 121.4 13 14 A A S S+ 0 0 62 -2,-0.7 2,-9.4 -3,-0.0 3,-0.1 -0.578 79.1 82.1 149.5-115.2 54.3 45.6 124.3 14 15 A E S S+ 0 0 149 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.0 0.503 77.3 111.4 -1.6 20.2 55.5 42.6 122.2 15 16 A V - 0 0 66 -2,-9.4 -1,-0.2 1,-0.1 2,-0.1 0.943 69.0-136.0 -78.6 -63.4 58.7 44.8 122.2 16 17 A A - 0 0 67 -3,-0.1 2,-0.1 3,-0.1 -1,-0.1 -0.700 34.7-110.1 125.9 -82.1 61.9 43.8 124.1 17 18 A D S S+ 0 0 142 -2,-0.1 3,-0.1 0, 0.0 0, 0.0 0.018 104.6 30.8 97.9 134.1 63.3 46.8 125.9 18 19 A G S S+ 0 0 91 1,-0.2 2,-0.1 -2,-0.1 -2,-0.0 0.532 86.9 146.2 57.1 2.9 66.5 48.2 124.6 19 20 A A - 0 0 30 1,-0.1 2,-0.7 23,-0.0 -1,-0.2 -0.401 67.0 -96.2 -52.4 143.0 65.3 47.0 121.2 20 21 A I E -c 42 0A 48 21,-0.5 23,-2.0 -3,-0.1 2,-0.3 -0.603 60.5-177.8 -71.6 115.5 66.5 49.4 118.5 21 22 A V E -c 43 0A 36 -2,-0.7 2,-0.4 21,-0.2 23,-0.2 -0.850 31.9-161.4-124.6 150.7 63.5 51.7 118.1 22 23 A V E -c 44 0A 0 21,-2.3 23,-2.8 -2,-0.3 2,-0.3 -0.985 23.1-148.7-122.0 111.3 62.4 54.6 116.0 23 24 A D E -c 45 0A 43 -2,-0.4 7,-2.9 21,-0.2 2,-0.6 -0.597 2.2-149.2 -80.1 146.8 59.5 56.5 117.5 24 25 A I E +cD 46 29A 0 21,-2.2 23,-2.5 -2,-0.3 24,-0.5 -0.975 35.9 137.7-114.3 115.8 57.0 58.3 115.2 25 26 A A + 0 0 20 3,-1.5 3,-0.5 -2,-0.6 -2,-0.0 -0.977 57.6 16.7-148.6 156.7 55.3 61.4 116.6 26 27 A K S S- 0 0 159 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.894 127.7 -57.8 51.5 44.0 54.4 64.9 115.4 27 28 A M S S+ 0 0 29 1,-0.2 2,-0.3 23,-0.1 -1,-0.2 0.848 116.0 105.1 63.3 36.6 54.6 63.9 111.7 28 29 A K S S- 0 0 110 -3,-0.5 -3,-1.5 69,-0.1 2,-0.6 -0.999 74.9-128.0-149.8 142.1 58.3 62.9 112.1 29 30 A Y B -D 24 0A 6 -2,-0.3 -5,-0.2 69,-0.2 69,-0.1 -0.887 33.7-145.0 -86.3 121.4 60.5 59.8 112.3 30 31 A E S S+ 0 0 97 -7,-2.9 -1,-0.1 -2,-0.6 -6,-0.1 0.679 91.2 39.9 -78.8 -19.8 62.3 60.8 115.5 31 32 A T + 0 0 55 -8,-0.3 -1,-0.3 1,-0.1 3,-0.2 -0.864 69.8 174.7-121.4 95.2 65.6 59.3 114.5 32 33 A P S S+ 0 0 73 0, 0.0 68,-0.3 0, 0.0 2,-0.3 0.460 76.3 41.0 -81.8 -4.5 65.9 60.2 110.8 33 34 A E S S- 0 0 103 66,-0.2 2,-0.5 2,-0.0 68,-0.2 -0.761 74.5-180.0-144.2 91.4 69.4 58.8 110.5 34 35 A L E -f 101 0B 17 66,-2.0 68,-3.4 -2,-0.3 2,-0.5 -0.842 14.5-154.5 -91.4 127.3 69.7 55.5 112.4 35 36 A H E +f 102 0B 100 -2,-0.5 2,-0.3 66,-0.2 68,-0.2 -0.929 29.7 157.7 -98.5 121.7 73.1 53.9 112.3 36 37 A V E -f 103 0B 8 66,-3.8 68,-2.7 -2,-0.5 2,-0.3 -0.849 34.7-110.6-132.0 177.7 72.9 50.0 112.9 37 38 A K > - 0 0 134 -2,-0.3 3,-2.4 67,-0.2 44,-0.2 -0.831 45.3 -78.9-109.1 152.8 74.8 46.8 112.2 38 39 A V T 3 S+ 0 0 75 -2,-0.3 44,-0.2 1,-0.3 -1,-0.1 -0.016 118.5 23.9 -36.1 141.1 74.1 43.8 109.9 39 40 A G T 3 S+ 0 0 46 42,-1.7 -1,-0.3 1,-0.2 43,-0.1 0.268 91.8 139.1 75.2 -12.5 71.4 41.5 111.3 40 41 A D < - 0 0 58 -3,-2.4 41,-2.5 40,-0.1 2,-0.6 -0.358 48.0-138.4 -66.1 142.8 69.9 44.2 113.4 41 42 A T E - E 0 80A 54 39,-0.2 -21,-0.5 -3,-0.1 2,-0.4 -0.926 13.9-162.9-106.0 112.4 66.1 44.6 113.8 42 43 A V E -cE 20 79A 0 37,-2.1 37,-2.0 -2,-0.6 2,-0.5 -0.784 6.6-160.1 -92.3 133.6 64.8 48.2 113.7 43 44 A T E -cE 21 78A 13 -23,-2.0 -21,-2.3 -2,-0.4 2,-0.4 -0.984 4.6-152.2-114.9 127.6 61.2 48.6 115.1 44 45 A W E -cE 22 77A 0 33,-2.9 33,-1.3 -2,-0.5 2,-0.5 -0.788 13.4-161.6 -87.1 140.3 59.1 51.6 114.2 45 46 A I E -cE 23 76A 12 -23,-2.8 -21,-2.2 -2,-0.4 2,-0.7 -0.959 12.8-138.7-123.7 126.4 56.6 52.5 116.8 46 47 A N E +c 24 0A 0 29,-3.1 28,-2.5 -2,-0.5 29,-0.2 -0.699 22.8 175.1 -82.8 119.4 53.6 54.7 116.1 47 48 A R + 0 0 92 -23,-2.5 2,-0.2 -2,-0.7 -22,-0.2 0.577 57.6 60.7 -93.7 -16.3 53.0 57.1 119.0 48 49 A E S S- 0 0 41 -24,-0.5 26,-0.2 2,-0.3 4,-0.1 -0.704 83.9-114.3-115.9 167.1 50.1 59.2 117.6 49 50 A A S S+ 0 0 15 -2,-0.2 24,-0.3 24,-0.1 -1,-0.1 0.774 91.0 96.4 -67.7 -24.8 46.5 58.6 116.4 50 51 A M S S- 0 0 11 22,-0.1 -2,-0.3 1,-0.1 21,-0.1 -0.517 84.5-119.6 -66.2 117.0 47.6 59.5 112.8 51 52 A P + 0 0 13 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.317 41.2 169.5 -58.3 141.0 48.4 56.3 110.8 52 53 A H B +J 71 0C 0 19,-1.0 19,-2.8 17,-0.1 2,-0.3 -0.951 9.3 176.2-140.2 162.2 52.0 56.1 109.5 53 54 A N - 0 0 0 -2,-0.3 2,-0.4 17,-0.2 17,-0.1 -0.871 32.3-105.4-147.5-174.3 54.2 53.5 107.9 54 55 A V - 0 0 0 -2,-0.3 14,-2.0 15,-0.2 2,-0.4 -0.940 31.4-169.4-116.5 145.2 57.7 53.1 106.4 55 56 A H E -GH 67 90B 12 35,-1.5 35,-1.1 -2,-0.4 2,-0.5 -0.985 6.7-166.2-143.0 119.4 58.0 52.8 102.6 56 57 A F E -G 66 0B 0 10,-3.0 10,-1.7 -2,-0.4 33,-0.2 -0.966 25.8-124.5-109.8 124.2 61.2 51.8 100.8 57 58 A V >> - 0 0 60 -2,-0.5 3,-1.0 31,-0.3 4,-0.6 0.225 41.5 -71.0 -60.1-179.2 61.2 52.5 97.0 58 59 A A T 34 S+ 0 0 67 1,-0.2 6,-0.2 7,-0.2 5,-0.2 -0.597 121.7 24.3 -68.4 134.7 61.9 49.9 94.2 59 60 A G T 34 S+ 0 0 59 3,-1.6 -1,-0.2 4,-0.3 4,-0.2 0.644 100.3 89.7 82.7 17.0 65.6 48.9 94.2 60 61 A V T <4 S+ 0 0 25 -3,-1.0 -2,-0.1 2,-0.6 3,-0.1 0.791 104.2 14.0-102.6 -58.3 66.3 49.8 97.9 61 62 A L S < S- 0 0 15 -4,-0.6 -59,-0.6 1,-0.4 2,-0.3 0.281 139.4 -46.7-100.5 8.1 65.6 46.5 99.8 62 63 A G S S- 0 0 29 -61,-0.2 -3,-1.6 1,-0.1 -2,-0.6 -0.838 87.0 -52.6 138.9-178.2 65.5 44.4 96.6 63 64 A E S S+ 0 0 191 -2,-0.3 -4,-0.3 -4,-0.2 2,-0.2 0.883 117.3 59.8 -68.1 -42.5 63.9 44.8 93.3 64 65 A A S S- 0 0 80 -6,-0.2 -3,-0.3 -3,-0.1 2,-0.3 -0.494 91.8-107.7 -78.9 152.4 60.3 45.4 94.5 65 66 A A - 0 0 32 -7,-0.2 2,-0.9 -2,-0.2 -8,-0.2 -0.586 23.6-131.6 -73.3 137.1 59.4 48.4 96.8 66 67 A L E -G 56 0B 29 -10,-1.7 -10,-3.0 -9,-0.5 2,-1.0 -0.835 23.5-175.1 -89.8 103.2 58.6 47.6 100.4 67 68 A K E -G 55 0B 94 -2,-0.9 -12,-0.2 -12,-0.2 24,-0.0 -0.805 19.4-151.0 -97.1 92.4 55.3 49.4 101.1 68 69 A G - 0 0 2 -14,-2.0 2,-0.2 -2,-1.0 24,-0.1 -0.026 19.0 -99.0 -60.6 161.9 54.9 48.7 104.9 69 70 A P - 0 0 29 0, 0.0 2,-0.2 0, 0.0 -15,-0.2 -0.561 41.4 -94.1 -88.2 155.3 51.5 48.6 106.5 70 71 A M - 0 0 32 -2,-0.2 2,-0.6 -17,-0.1 -17,-0.2 -0.442 31.8-145.2 -70.3 132.1 49.9 51.4 108.5 71 72 A M B -J 52 0C 0 -19,-2.8 -19,-1.0 -2,-0.2 3,-0.2 -0.890 11.0-150.1 -99.3 117.3 50.4 51.4 112.2 72 73 A K > - 0 0 40 -2,-0.6 3,-1.7 1,-0.2 2,-0.2 0.027 57.0 -44.0 -70.5-176.5 47.5 52.8 114.2 73 74 A K T 3 S+ 0 0 118 1023,-0.7 -1,-0.2 -24,-0.3 -26,-0.2 -0.439 131.9 0.5 -63.0 119.5 48.1 54.5 117.5 74 75 A E T 3 S+ 0 0 88 -28,-2.5 -62,-1.3 1,-0.3 2,-0.3 0.680 95.7 127.2 76.1 26.2 50.7 52.4 119.4 75 76 A Q E < -B 11 0A 50 -3,-1.7 -29,-3.1 -64,-0.2 -1,-0.3 -0.684 40.2-161.2 -95.2 160.1 51.3 49.6 116.9 76 77 A A E -BE 10 45A 2 -66,-2.1 -66,-2.5 -2,-0.3 2,-0.3 -0.891 7.6-166.9-135.5 162.2 54.9 48.9 115.8 77 78 A Y E - E 0 44A 5 -33,-1.3 -33,-2.9 -2,-0.3 2,-0.3 -0.937 12.1-153.4-147.9 149.4 56.3 47.1 112.8 78 79 A S E - E 0 43A 8 -2,-0.3 2,-0.3 -35,-0.3 -72,-0.3 -0.916 12.0-163.9-133.3 164.7 59.9 45.8 112.3 79 80 A L E - E 0 42A 0 -37,-2.0 -37,-2.1 -2,-0.3 2,-0.7 -0.997 16.1-139.9-141.1 133.0 62.5 45.0 109.6 80 81 A T E -AE 3 41A 30 -77,-2.8 -77,-2.4 -2,-0.3 2,-0.3 -0.824 18.9-144.9 -97.5 116.3 65.8 43.0 109.8 81 82 A F E +A 2 0A 0 -41,-2.5 -42,-1.7 -2,-0.7 -79,-0.2 -0.615 20.2 177.1 -82.8 143.2 68.6 44.5 107.9 82 83 A T + 0 0 64 -81,-1.2 2,-0.3 -2,-0.3 -80,-0.2 0.099 54.9 43.8-135.2 20.6 71.0 42.0 106.2 83 84 A E S S- 0 0 88 -82,-0.4 -1,-0.2 2,-0.1 20,-0.1 -0.889 78.9-101.7-171.4 136.6 73.6 43.9 104.2 84 85 A A S S+ 0 0 60 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.359 73.2 83.2 -65.5 135.6 75.9 47.0 104.4 85 86 A G E S- I 0 103B 33 18,-1.9 18,-2.6 -2,-0.1 2,-0.4 -0.897 78.8 -76.0 152.7 177.9 74.6 50.1 102.6 86 87 A T E - I 0 102B 76 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.942 37.2-163.8-112.8 127.9 72.2 53.1 103.1 87 88 A Y E - I 0 101B 7 14,-2.3 14,-2.7 -2,-0.4 2,-0.3 -0.941 3.1-158.8-118.9 116.8 68.4 52.6 102.9 88 89 A D E + I 0 100B 86 -2,-0.5 -31,-0.3 12,-0.2 12,-0.3 -0.663 16.6 169.7 -90.0 144.1 66.0 55.6 102.5 89 90 A Y E - I 0 99B 7 10,-2.6 10,-1.3 -2,-0.3 2,-0.3 -0.851 11.9-173.4-139.7-179.2 62.3 55.4 103.4 90 91 A H E -HI 55 98B 10 -35,-1.1 -35,-1.5 -2,-0.3 2,-0.4 -0.922 37.7 -89.2-166.8 165.4 59.3 57.7 103.8 91 92 A C - 0 0 0 6,-1.4 6,-0.2 3,-0.7 -37,-0.1 -0.790 34.1-130.4 -92.0 140.6 55.7 57.3 105.0 92 93 A T S S+ 0 0 3 -2,-0.4 -1,-0.1 1,-0.2 988,-0.1 0.938 104.0 29.7 -65.3 -58.0 53.2 56.4 102.2 93 94 A P S S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 -41,-0.0 0.717 127.1 48.6 -67.2 -19.5 50.4 59.1 102.9 94 95 A H > + 0 0 1 1,-0.1 3,-2.9 3,-0.1 -3,-0.7 -0.593 59.7 170.0-125.2 70.4 53.0 61.6 104.2 95 96 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.554 75.7 71.2 -69.5 -5.6 56.1 61.9 101.9 96 97 A F T 3 S+ 0 0 20 269,-0.1 2,-0.9 1,-0.1 290,-0.1 0.705 81.8 82.5 -71.9 -22.9 57.5 64.8 103.8 97 98 A M < + 0 0 4 -3,-2.9 -6,-1.4 -6,-0.2 2,-0.4 -0.789 67.9 169.8 -84.6 98.8 58.3 62.2 106.7 98 99 A R E + I 0 90B 111 -2,-0.9 2,-0.2 -8,-0.2 -8,-0.2 -0.970 10.8 170.8-117.8 136.4 61.6 60.8 105.5 99 100 A G E - 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