==== 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 2J57 . 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 . 2444 12 28 28 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 85215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1553 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 798 32.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 251 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 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 3 1 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 1 3 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 PARALLEL BRIDGES PER LADDER . 16 28 24 24 15 32 8 0 4 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 . 4 4 25 11 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 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 92 0, 0.0 81,-1.5 0, 0.0 82,-0.9 0.000 360.0 360.0 360.0 8.6 39.1 17.8 -7.9 2 3 A A E -A 81 0A 23 59,-0.4 2,-0.3 79,-0.3 79,-0.2 -0.952 360.0-146.3-164.5 149.9 36.7 18.2 -10.7 3 4 A T E -A 80 0A 80 77,-1.9 77,-2.3 -2,-0.3 79,-0.0 -0.819 21.5-121.5-118.7 174.2 34.1 20.7 -11.9 4 5 A I - 0 0 58 -2,-0.3 75,-0.2 75,-0.2 3,-0.1 -0.892 12.1-163.7-123.2 95.1 30.9 20.0 -13.6 5 6 A P S S+ 0 0 74 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.938 87.1 17.2 -42.5 -58.7 30.4 21.6 -17.1 6 7 A S - 0 0 35 72,-0.4 72,-0.2 1,-0.1 4,-0.1 -0.983 68.1-148.5-119.3 127.5 26.6 21.0 -16.9 7 8 A E S S+ 0 0 151 -2,-0.5 -1,-0.1 -3,-0.1 0, 0.0 0.916 86.5 34.0 -48.9 -50.6 24.7 20.1 -13.6 8 9 A S S S- 0 0 68 1,-0.1 68,-0.1 60,-0.1 63,-0.1 -0.527 103.1 -76.1-108.4 166.4 22.3 18.0 -15.6 9 10 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 68,-0.2 -0.368 46.0-163.8 -63.3 147.0 22.4 15.7 -18.6 10 11 A F E -B 76 0A 37 66,-2.0 66,-2.2 -4,-0.1 5,-0.1 -0.904 33.8 -79.9-130.0 156.1 22.5 17.4 -22.1 11 12 A A E > -B 75 0A 50 -2,-0.3 3,-1.7 64,-0.2 64,-0.2 -0.310 36.3-133.9 -60.2 133.5 21.8 16.1 -25.6 12 13 A A G > S+ 0 0 17 62,-3.0 3,-0.9 1,-0.3 -1,-0.1 0.535 98.4 76.6 -69.9 -9.5 24.8 14.1 -26.9 13 14 A A G 3 S+ 0 0 104 61,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.583 90.2 61.8 -70.5 -9.5 24.7 16.0 -30.4 14 15 A E G < S+ 0 0 141 -3,-1.7 2,-0.3 2,-0.1 -1,-0.2 0.521 81.1 95.4 -92.7 -10.5 26.3 18.8 -28.4 15 16 A V S < S- 0 0 19 -3,-0.9 2,-0.1 -4,-0.1 3,-0.1 -0.649 83.4-118.3 -76.1 140.5 29.4 16.8 -27.5 16 17 A A > - 0 0 68 -2,-0.3 3,-1.4 1,-0.1 2,-0.2 -0.502 27.2-105.4 -76.0 148.8 32.2 17.6 -30.1 17 18 A D T 3 S+ 0 0 163 1,-0.2 -1,-0.1 -2,-0.1 3,-0.1 -0.475 112.7 27.9 -59.8 143.5 33.5 14.7 -32.2 18 19 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.453 87.1 136.1 77.7 -10.3 36.9 13.9 -30.8 19 20 A A S < S- 0 0 35 -3,-1.4 2,-0.5 1,-0.1 -1,-0.3 -0.431 76.5 -88.1 -55.6 145.4 35.9 15.0 -27.2 20 21 A I E -c 42 0A 52 21,-0.5 23,-2.5 -3,-0.1 2,-0.4 -0.554 62.5-174.9 -58.2 113.1 37.1 12.5 -24.7 21 22 A V E -c 43 0A 42 -2,-0.5 2,-0.6 21,-0.2 23,-0.2 -0.973 31.4-171.7-130.0 123.7 34.1 10.0 -24.6 22 23 A V E -c 44 0A 0 21,-1.6 23,-1.9 -2,-0.4 2,-0.2 -0.980 29.1-152.5 -98.5 113.8 33.2 7.0 -22.4 23 24 A D E -c 45 0A 45 -2,-0.6 7,-3.2 21,-0.2 2,-0.5 -0.634 2.1-138.9 -87.1 153.0 30.1 5.5 -24.1 24 25 A I E +cD 46 29A 0 21,-2.8 23,-3.0 -2,-0.2 2,-0.3 -0.949 40.1 130.2-121.8 123.9 27.5 3.6 -22.2 25 26 A A E > + D 0 28A 22 3,-1.8 3,-1.1 -2,-0.5 23,-0.1 -0.968 57.8 26.1-163.8 153.4 25.9 0.5 -23.6 26 27 A K T 3 S- 0 0 174 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.761 128.3 -60.1 58.6 31.6 25.1 -3.2 -22.6 27 28 A M T 3 S+ 0 0 29 1,-0.2 2,-0.4 23,-0.1 -1,-0.3 0.839 117.4 110.5 66.0 31.6 25.2 -2.4 -18.8 28 29 A K E < S-D 25 0A 139 -3,-1.1 -3,-1.8 69,-0.1 2,-0.6 -0.993 75.1-128.9-139.8 143.5 28.8 -1.2 -19.3 29 30 A Y E -D 24 0A 9 -2,-0.4 -5,-0.2 69,-0.2 69,-0.1 -0.799 33.2-143.0 -76.9 125.5 31.0 1.8 -19.4 30 31 A E S S+ 0 0 103 -7,-3.2 -1,-0.1 -2,-0.6 -6,-0.1 0.727 93.3 35.2 -74.5 -19.6 32.7 1.1 -22.7 31 32 A T + 0 0 56 -8,-0.3 -1,-0.3 1,-0.1 69,-0.2 -0.803 69.6 173.1-127.9 87.9 36.0 2.4 -21.5 32 33 A P S S+ 0 0 72 0, 0.0 68,-1.1 0, 0.0 2,-0.5 0.622 75.4 46.1 -72.6 -19.2 36.2 1.4 -17.8 33 34 A E E S+f 100 0B 103 66,-0.2 2,-0.5 -3,-0.1 68,-0.2 -0.926 75.6 176.1-126.6 106.1 39.8 2.5 -17.6 34 35 A L E -f 101 0B 21 66,-2.5 68,-4.1 -2,-0.5 2,-0.5 -0.952 16.9-153.4-112.9 125.7 40.3 5.9 -19.1 35 36 A H E +f 102 0B 98 -2,-0.5 2,-0.2 66,-0.2 68,-0.2 -0.879 24.7 162.4 -95.5 123.3 43.6 7.8 -19.0 36 37 A V E -f 103 0B 10 66,-4.0 68,-3.2 -2,-0.5 2,-0.3 -0.803 33.6-116.3-123.4 173.5 43.4 11.7 -19.3 37 38 A K > - 0 0 149 67,-0.3 3,-2.1 -2,-0.2 44,-0.2 -0.839 48.8 -81.6-104.8 154.1 45.8 14.7 -18.5 38 39 A V T 3 S+ 0 0 71 -2,-0.3 44,-0.2 1,-0.3 -1,-0.1 -0.167 120.5 32.7 -49.7 143.7 45.1 17.3 -15.8 39 40 A G T 3 S+ 0 0 52 42,-2.1 -1,-0.3 1,-0.2 2,-0.2 0.199 88.4 135.2 83.4 -13.5 42.6 19.9 -17.3 40 41 A D < - 0 0 44 -3,-2.1 41,-2.3 41,-0.3 2,-0.7 -0.480 49.2-139.7 -74.9 133.5 40.7 17.3 -19.5 41 42 A T E - E 0 80A 55 39,-0.2 -21,-0.5 -2,-0.2 2,-0.4 -0.831 16.7-158.7 -92.7 110.6 36.9 17.3 -19.8 42 43 A V E -cE 20 79A 0 37,-2.6 37,-2.6 -2,-0.7 2,-0.5 -0.767 4.1-162.4 -85.9 132.2 35.5 13.7 -19.8 43 44 A T E -cE 21 78A 8 -23,-2.5 -21,-1.6 -2,-0.4 2,-0.3 -0.979 4.7-158.3-118.1 123.6 32.0 13.2 -21.3 44 45 A W E -cE 22 77A 0 33,-2.8 33,-2.1 -2,-0.5 2,-0.4 -0.708 13.0-166.7 -85.4 141.4 29.9 10.0 -20.6 45 46 A I E -cE 23 76A 5 -23,-1.9 -21,-2.8 -2,-0.3 2,-0.6 -0.961 15.6-136.0-138.2 126.0 27.2 9.4 -23.2 46 47 A N E -c 24 0A 0 29,-2.7 28,-4.1 -2,-0.4 29,-0.3 -0.658 18.5-179.5 -84.8 118.7 24.4 6.9 -22.8 47 48 A R + 0 0 95 -23,-3.0 2,-0.3 -2,-0.6 -22,-0.1 0.227 61.6 61.6 -98.2 9.3 23.7 4.8 -26.0 48 49 A E S S- 0 0 44 2,-0.2 4,-0.1 -24,-0.2 26,-0.1 -0.891 83.3-114.9-136.4 166.3 20.8 2.8 -24.5 49 50 A A S S+ 0 0 20 -2,-0.3 24,-0.3 2152,-0.1 -1,-0.1 0.824 91.5 93.4 -69.7 -33.8 17.2 3.2 -23.1 50 51 A M S S- 0 0 15 22,-0.1 -2,-0.2 1,-0.1 -23,-0.1 -0.484 85.4-122.4 -59.1 113.5 18.4 2.0 -19.7 51 52 A P + 0 0 12 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.273 36.7 177.9 -58.2 142.5 19.3 5.1 -17.7 52 53 A H B +J 71 0C 0 19,-1.9 19,-3.5 -4,-0.1 2,-0.2 -0.930 8.1 177.8-139.2 161.1 22.9 5.3 -16.4 53 54 A N - 0 0 0 -2,-0.3 2,-0.4 17,-0.2 17,-0.1 -0.839 30.1-108.4-142.3-176.8 25.0 7.7 -14.4 54 55 A V - 0 0 0 15,-0.4 14,-2.5 -2,-0.2 2,-0.3 -0.952 30.4-175.2-116.3 147.4 28.4 8.2 -12.9 55 56 A H E -GH 67 90B 11 35,-1.1 35,-0.9 -2,-0.4 2,-0.5 -0.932 7.3-172.0-147.6 108.0 28.8 8.1 -9.1 56 57 A F E -G 66 0B 0 10,-2.6 10,-1.4 -2,-0.3 33,-0.1 -0.904 29.1-123.1-100.4 134.0 32.1 8.8 -7.3 57 58 A V > - 0 0 58 -2,-0.5 3,-1.7 31,-0.3 4,-0.5 -0.284 43.5 -66.9 -73.5 160.8 31.9 8.2 -3.5 58 59 A A T 3 S+ 0 0 67 1,-0.2 7,-0.2 7,-0.2 6,-0.2 -0.168 121.5 24.6 -39.3 132.2 32.6 10.7 -0.8 59 60 A G T 3 S+ 0 0 54 3,-1.1 -1,-0.2 5,-0.4 4,-0.2 0.364 98.6 91.0 91.6 -4.8 36.4 11.7 -0.7 60 61 A V S < S+ 0 0 29 -3,-1.7 -2,-0.1 4,-0.2 5,-0.1 0.958 107.7 5.4 -88.1 -58.0 37.1 10.9 -4.4 61 62 A L S S- 0 0 13 -4,-0.5 -59,-0.4 3,-0.3 2,-0.3 0.460 141.0 -27.8-107.1 -11.4 36.5 14.2 -6.1 62 63 A G S S- 0 0 37 2,-0.3 -3,-1.1 -61,-0.1 -1,-0.1 -0.888 84.1 -75.4-173.1-159.8 35.8 16.3 -3.0 63 64 A E S S+ 0 0 182 -2,-0.3 2,-0.1 -5,-0.2 -3,-0.1 0.828 114.7 70.7 -84.2 -34.3 34.4 15.5 0.4 64 65 A A S S- 0 0 79 -6,-0.2 -5,-0.4 -5,-0.1 -3,-0.3 -0.484 93.6-113.3 -72.1 147.4 30.9 15.2 -1.0 65 66 A A - 0 0 34 -7,-0.2 2,-0.7 -2,-0.1 -8,-0.2 -0.614 24.1-130.8 -66.3 142.7 30.1 12.2 -3.2 66 67 A L E -G 56 0B 26 -10,-1.4 -10,-2.6 -2,-0.3 2,-0.7 -0.932 26.5-177.1 -93.2 110.2 29.4 13.2 -6.8 67 68 A K E -G 55 0B 98 -2,-0.7 -12,-0.2 -12,-0.2 3,-0.1 -0.893 20.5-147.3-107.8 93.5 26.1 11.4 -7.7 68 69 A G - 0 0 2 -14,-2.5 24,-0.1 -2,-0.7 -60,-0.1 -0.062 20.5 -95.2 -56.1 158.7 25.6 12.4 -11.3 69 70 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 -15,-0.4 -0.434 47.8 -99.1 -68.0 156.2 22.2 12.8 -12.9 70 71 A M - 0 0 26 -17,-0.1 2,-0.5 -3,-0.1 -17,-0.2 -0.680 34.7-141.8 -77.0 126.9 20.8 9.8 -14.8 71 72 A M B -J 52 0C 0 -19,-3.5 -19,-1.9 -2,-0.4 2,-0.1 -0.843 11.4-154.9 -90.9 121.8 21.4 10.0 -18.5 72 73 A K > - 0 0 31 -2,-0.5 3,-1.8 -21,-0.2 -26,-0.3 -0.276 54.2 -44.4 -74.1-179.1 18.5 8.7 -20.6 73 74 A K T 3 S+ 0 0 103 2126,-0.7 -26,-0.2 -24,-0.3 -1,-0.2 -0.317 129.5 3.9 -57.9 122.4 19.3 7.5 -24.2 74 75 A E T 3 S+ 0 0 66 -28,-4.1 -62,-3.0 1,-0.3 2,-0.3 0.675 97.9 125.6 74.7 22.9 21.6 9.8 -26.1 75 76 A Q E < -B 11 0A 37 -3,-1.8 -29,-2.7 -29,-0.3 -1,-0.3 -0.746 42.4-157.4-102.8 162.7 22.2 12.2 -23.2 76 77 A A E -BE 10 45A 0 -66,-2.2 -66,-2.0 -2,-0.3 2,-0.3 -0.875 10.6-164.6-139.4 158.8 25.7 13.0 -22.1 77 78 A Y E - E 0 44A 4 -33,-2.1 -33,-2.8 -2,-0.3 2,-0.3 -0.924 10.2-157.5-159.0 131.4 27.4 14.3 -18.9 78 79 A S E - E 0 43A 6 -2,-0.3 -72,-0.4 -35,-0.2 2,-0.4 -0.757 10.1-168.5-115.0 146.9 30.9 15.8 -18.5 79 80 A L E - E 0 42A 0 -37,-2.6 -37,-2.6 -2,-0.3 2,-0.6 -0.994 16.7-144.5-126.5 131.1 33.3 16.2 -15.7 80 81 A T E -AE 3 41A 27 -77,-2.3 -77,-1.9 -2,-0.4 2,-0.7 -0.837 18.4-143.3 -87.5 117.6 36.5 18.4 -16.0 81 82 A F E +A 2 0A 0 -41,-2.3 -42,-2.1 -2,-0.6 -41,-0.3 -0.738 21.6 178.4 -89.9 116.0 39.3 16.7 -13.9 82 83 A T + 0 0 67 -81,-1.5 2,-0.3 -2,-0.7 -80,-0.2 0.504 59.2 42.5-100.4 -6.8 41.4 19.5 -12.3 83 84 A E S S- 0 0 101 -82,-0.9 -1,-0.1 2,-0.1 20,-0.1 -0.993 82.6-101.3-144.9 149.4 43.9 17.4 -10.4 84 85 A A + 0 0 51 -2,-0.3 20,-0.2 20,-0.2 2,-0.2 -0.186 67.5 74.8 -66.1 156.0 46.1 14.2 -10.9 85 86 A G E S- I 0 103B 30 18,-2.9 18,-2.1 2,-0.0 2,-0.5 -0.602 79.4 -64.5 126.6 168.1 45.2 10.8 -9.4 86 87 A T E - I 0 102B 78 16,-0.2 2,-0.6 -2,-0.2 16,-0.2 -0.830 39.9-166.5 -99.8 125.7 42.9 7.8 -10.0 87 88 A Y E - 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0 0 0 -3,-1.5 59,-2.4 -8,-0.2 2,-0.4 -0.498 29.6-166.6 -73.8 137.3 91.5 17.9 89.2 1978 32 K D E +O 2035 0B 13 57,-0.2 2,-0.5 -2,-0.2 57,-0.2 -0.948 57.5 5.6-128.5 117.9 89.4 19.3 86.4 1979 33 K G E S-O 2034 0B 9 55,-2.5 55,-1.8 -2,-0.4 2,-0.3 -0.902 106.4 -12.1 128.6-108.3 90.9 21.9 84.0 1980 34 K N E -O 2033 0B 6 -2,-0.5 88,-2.9 53,-0.3 2,-0.5 -0.991 57.4-112.8-143.9 136.1 94.5 22.9 84.0 1981 35 K I B > -p 2068 0C 3 51,-2.0 3,-2.1 50,-0.4 4,-0.2 -0.647 23.4-146.9 -72.5 119.0 97.6 22.5 86.3 1982 36 K g G > >S+ 0 0 1 86,-1.5 5,-2.4 -2,-0.5 3,-1.8 0.785 93.5 71.6 -59.9 -28.4 98.5 26.0 87.7 1983 37 K D G 3 5S+ 0 0 26 1,-0.3 3,-0.5 85,-0.2 -1,-0.3 0.696 92.9 58.8 -56.6 -18.4 102.1 25.1 87.7 1984 38 K h G < 5S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.471 106.7 43.7 -95.4 -4.2 102.0 25.3 83.9 1985 39 K S T < 5S- 0 0 0 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.116 133.1 -72.9-127.0 26.0 100.9 28.9 83.7 1986 40 K G T 5S+ 0 0 10 -3,-0.5 -3,-0.2 1,-0.3 -4,-0.1 0.517 104.0 102.5 96.3 3.2 103.1 30.6 86.3 1987 41 K G < - 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