==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 02-MAR-92 1MDA . COMPND 2 MOLECULE: METHYLAMINE DEHYDROGENASE (HEAVY SUBUNIT); . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR L.CHEN,R.DURLEY,F.S.MATHEWS . 1184 6 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 710 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 350 29.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 3 0.3 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 . 171 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.2 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 2 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 RESIDUES PER ALPHA HELIX . 6 0 2 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 0 PARALLEL BRIDGES PER LADDER . 9 11 16 11 4 12 4 2 0 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 3 17 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 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 E 0 0 123 0, 0.0 2,-2.7 0, 0.0 874,-0.2 0.000 360.0 360.0 360.0 120.6 17.4 81.2 71.9 2 2 H K + 0 0 144 1,-0.2 871,-0.1 2,-0.1 0, 0.0 -0.214 360.0 84.8 -65.6 60.1 19.0 83.5 69.2 3 3 H S + 0 0 39 -2,-2.7 872,-0.3 869,-0.1 -1,-0.2 -0.486 52.4 111.0-155.2 38.5 20.6 80.9 67.0 4 4 H K + 0 0 104 870,-0.1 2,-0.7 871,-0.1 -2,-0.1 -0.189 46.6 104.4-102.4 2.8 17.2 81.0 65.6 5 5 H V + 0 0 70 868,-0.1 868,-0.1 2,-0.1 867,-0.1 -0.732 35.7 106.1 -97.2 59.6 19.6 82.3 63.1 6 6 H A + 0 0 4 -2,-0.7 -1,-0.1 866,-0.3 -3,-0.1 -0.741 54.1 92.5-144.6 54.1 19.2 79.1 61.3 7 7 H G S > S+ 0 0 37 2,-0.1 4,-1.4 3,-0.0 -2,-0.1 -0.043 71.9 65.3-134.1 -16.4 17.3 81.4 59.2 8 8 H S H > S+ 0 0 71 2,-0.2 4,-2.5 3,-0.2 -2,-0.1 0.810 101.3 51.0 -78.9 -29.1 20.5 81.8 57.4 9 9 H A H > S+ 0 0 19 2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.963 109.2 46.3 -70.6 -55.0 19.9 78.1 56.6 10 10 H A H > S+ 0 0 30 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.916 113.1 55.6 -53.3 -38.9 16.4 78.6 55.3 11 11 H A H X S+ 0 0 56 -4,-1.4 4,-1.8 1,-0.2 -1,-0.3 0.955 108.8 42.0 -60.2 -54.7 18.0 81.4 53.5 12 12 H A H <>S+ 0 0 41 -4,-2.5 5,-2.2 1,-0.2 -2,-0.2 0.928 110.1 59.3 -61.5 -40.3 20.6 79.3 51.8 13 13 H S H ><5S+ 0 0 25 -4,-3.4 3,-1.4 1,-0.2 -1,-0.2 0.901 105.4 48.9 -53.6 -46.2 18.0 76.6 51.1 14 14 H A H 3<5S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.922 103.4 58.4 -65.3 -41.6 15.9 79.1 49.1 15 15 H A T 3<5S- 0 0 83 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.368 119.4-111.8 -70.5 12.9 18.8 80.4 47.0 16 16 H A T < 5 + 0 0 92 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.876 59.3 173.1 64.2 32.5 19.3 76.8 45.9 17 17 H A < - 0 0 47 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.746 30.9-108.4 -95.3 124.2 22.5 76.6 47.8 18 18 H S - 0 0 104 -2,-0.6 -1,-0.0 1,-0.1 -2,-0.0 0.200 9.2-146.6 35.3 -98.3 24.6 73.5 48.4 19 19 H D + 0 0 40 1,-0.2 2,-0.5 958,-0.0 -1,-0.1 0.984 29.7 171.0 68.3 74.9 25.0 71.7 51.8 20 20 H G - 0 0 57 2,-0.0 -1,-0.2 957,-0.0 878,-0.1 -0.870 26.1-141.4-110.9 89.2 28.7 70.6 51.3 21 21 H S + 0 0 27 -2,-0.5 2,-0.3 878,-0.1 878,-0.2 -0.111 30.3 158.9 -57.8 141.0 29.7 69.3 54.7 22 22 H S - 0 0 61 876,-0.3 878,-1.9 878,-0.0 2,-0.7 -0.990 47.3 -97.6-159.0 160.6 33.2 69.9 56.2 23 23 H C B -a 900 0A 64 -2,-0.3 2,-0.1 876,-0.2 872,-0.1 -0.777 49.8-157.2 -77.8 116.8 35.2 70.0 59.4 24 24 H D - 0 0 58 876,-2.3 2,-0.3 -2,-0.7 879,-0.2 -0.238 2.9-123.4 -88.4-179.5 35.4 73.6 60.3 25 25 H H - 0 0 138 877,-0.1 80,-0.2 -2,-0.1 79,-0.1 -0.952 21.4 -99.5-132.5 151.3 37.9 75.7 62.4 26 26 H G - 0 0 6 78,-2.4 3,-0.1 -2,-0.3 34,-0.1 -0.129 35.9-112.3 -60.0 156.9 37.9 77.9 65.5 27 27 H P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 77,-0.1 0.702 62.6 -95.8 -65.2 -25.2 38.0 81.7 65.1 28 28 H G - 0 0 18 75,-0.4 76,-0.1 2,-0.1 5,-0.0 0.045 49.5 -56.9 111.0 134.2 41.5 82.1 66.5 29 29 H A + 0 0 25 47,-0.3 2,-0.3 -3,-0.1 75,-0.0 -0.100 65.0 150.7 -49.3 130.9 42.9 83.0 69.8 30 30 H I > - 0 0 84 337,-0.0 3,-0.9 1,-0.0 335,-0.3 -0.919 56.5 -95.9-153.8 171.5 41.8 86.2 71.4 31 31 H S T 3 S+ 0 0 17 -2,-0.3 292,-0.4 1,-0.2 293,-0.1 0.676 116.2 56.9 -65.1 -31.6 41.2 87.8 74.8 32 32 H R T 3 S+ 0 0 72 290,-0.1 21,-3.0 21,-0.1 2,-0.3 0.376 82.9 110.8 -83.9 -0.2 37.4 87.0 75.1 33 33 H R E < -B 52 0B 3 -3,-0.9 332,-0.5 19,-0.2 2,-0.4 -0.616 49.9-169.2 -75.1 136.2 38.1 83.3 74.6 34 34 H S E -B 51 0B 1 17,-4.0 17,-3.8 -2,-0.3 2,-0.4 -0.965 13.5-151.6-134.2 139.9 37.5 81.2 77.7 35 35 H H E -BC 50 363B 5 328,-2.2 328,-1.4 -2,-0.4 2,-0.5 -0.922 9.1-165.2-103.7 138.7 38.3 77.6 78.6 36 36 H I E -BC 49 362B 0 13,-2.4 13,-3.5 -2,-0.4 2,-0.4 -0.969 6.6-156.2-130.3 115.3 36.2 75.6 81.0 37 37 H T E -BC 48 361B 10 324,-2.0 323,-2.6 -2,-0.5 324,-1.0 -0.729 3.9-151.4 -93.8 135.2 37.5 72.4 82.4 38 38 H L E +B 47 0B 2 9,-2.7 9,-0.7 -2,-0.4 29,-0.1 -0.830 15.2 178.8-105.8 98.4 35.2 69.7 83.7 39 39 H P >> - 0 0 5 0, 0.0 3,-0.7 0, 0.0 4,-0.7 0.804 31.6-150.9 -66.5 -22.1 36.8 67.6 86.4 40 40 H A T 34 - 0 0 5 318,-0.7 5,-0.1 1,-0.2 4,-0.1 0.665 53.6 -60.8 61.8 29.2 33.5 65.8 86.5 41 41 H Y T 34 S- 0 0 117 317,-0.4 -1,-0.2 1,-0.2 406,-0.2 0.770 103.8 -53.4 72.7 27.2 33.3 64.6 90.1 42 42 H F T <4 S+ 0 0 29 -3,-0.7 403,-0.3 1,-0.2 438,-0.2 0.770 88.3 167.1 77.3 28.4 36.5 62.6 89.6 43 43 H A < - 0 0 9 -4,-0.7 24,-0.5 2,-0.2 -1,-0.2 -0.504 47.7-118.0 -74.1 148.2 35.4 60.6 86.6 44 44 H G S S+ 0 0 4 -2,-0.2 2,-0.4 22,-0.1 40,-0.1 0.738 100.8 44.9 -54.1 -24.0 38.0 58.7 84.7 45 45 H T S S+ 0 0 25 -5,-0.1 2,-0.3 20,-0.1 20,-0.3 -0.958 70.9 179.7-129.2 146.1 37.2 60.8 81.7 46 46 H T E - D 0 64B 7 18,-2.0 18,-2.5 -2,-0.4 2,-0.3 -0.883 15.0-135.6-143.2 170.4 36.7 64.6 81.4 47 47 H E E -BD 38 63B 14 -9,-0.7 -9,-2.7 -2,-0.3 2,-0.4 -0.936 2.7-150.2-136.3 144.8 36.0 67.4 79.0 48 48 H N E -BD 37 62B 7 14,-2.4 14,-1.9 -2,-0.3 2,-0.5 -0.965 14.7-150.7-114.1 127.8 37.3 71.0 78.2 49 49 H W E -BD 36 61B 0 -13,-3.5 -13,-2.4 -2,-0.4 2,-0.6 -0.904 1.5-157.5-100.9 124.9 34.9 73.6 76.8 50 50 H V E +BD 35 60B 0 10,-1.5 9,-2.2 -2,-0.5 10,-1.4 -0.907 25.0 177.8-100.2 121.9 36.3 76.4 74.5 51 51 H S E -BD 34 58B 3 -17,-3.8 -17,-4.0 -2,-0.6 2,-0.6 -0.900 28.2-136.4-131.3 153.4 34.0 79.4 74.6 52 52 H C E >> -BD 33 57B 16 5,-2.5 4,-3.7 -2,-0.3 5,-1.0 -0.940 19.4-143.5-106.1 118.8 33.7 82.8 73.2 53 53 H A T 45S+ 0 0 7 -21,-3.0 2,-1.4 -2,-0.6 -21,-0.1 -0.475 88.1 29.2 -78.6 149.7 32.6 85.7 75.4 54 54 H G T 45S+ 0 0 29 -2,-0.2 -1,-0.1 1,-0.1 287,-0.0 -0.757 127.8 47.1 97.5 -75.0 30.5 88.3 73.8 55 55 H C T 45S- 0 0 92 -2,-1.4 -2,-0.2 1,-0.1 -1,-0.1 0.933 92.5-151.0 -62.1 -43.4 29.3 85.6 71.5 56 56 H G T <5 + 0 0 22 -4,-3.7 2,-0.4 1,-0.3 -3,-0.2 0.738 47.6 144.7 75.7 17.3 28.7 83.3 74.4 57 57 H V E < -D 52 0B 68 -5,-1.0 -5,-2.5 295,-0.1 2,-0.6 -0.776 57.9-123.6 -95.6 136.8 29.3 80.5 71.8 58 58 H T E -D 51 0B 10 -2,-0.4 836,-0.5 -7,-0.2 -7,-0.3 -0.678 27.4-175.8 -77.8 115.7 31.1 77.2 72.3 59 59 H L E - 0 0 24 -9,-2.2 2,-0.3 -2,-0.6 -8,-0.2 0.606 58.5 -40.1 -87.3 -22.1 33.8 77.3 69.7 60 60 H G E -D 50 0B 0 -10,-1.4 -10,-1.5 841,-0.1 2,-0.3 -0.940 53.6-127.7-179.4-165.9 35.2 73.8 70.2 61 61 H H E -D 49 0B 3 841,-0.3 2,-0.3 -2,-0.3 -12,-0.2 -0.963 10.1-147.6-158.1 165.2 36.0 71.2 72.9 62 62 H S E -D 48 0B 2 -14,-1.9 -14,-2.4 -2,-0.3 2,-0.4 -0.965 15.7-127.2-143.3 149.7 38.9 68.9 73.9 63 63 H L E +D 47 0B 11 -2,-0.3 2,-0.2 -16,-0.2 -16,-0.2 -0.876 33.4 160.8-102.4 138.9 39.0 65.5 75.5 64 64 H G E -D 46 0B 9 -18,-2.5 -18,-2.0 -2,-0.4 3,-0.1 -0.763 22.1-136.9-145.5 173.7 41.0 64.6 78.6 65 65 H A > - 0 0 6 -20,-0.3 2,-0.6 -2,-0.2 3,-0.6 0.137 57.5 -2.6-109.6-133.9 41.2 62.0 81.3 66 66 H F T 3 S- 0 0 0 18,-2.1 -1,-0.2 1,-0.2 -22,-0.1 -0.580 118.6 -32.8 -76.2 113.6 41.6 61.6 85.0 67 67 H L T 3 S- 0 0 4 -2,-0.6 55,-0.3 -24,-0.5 -1,-0.2 0.900 83.4-172.4 47.7 57.3 42.0 64.9 86.8 68 68 H S < - 0 0 6 -3,-0.6 2,-0.5 53,-0.1 15,-0.2 -0.502 19.6-134.6 -81.3 156.2 43.9 66.7 84.1 69 69 H L E -E 82 0C 15 13,-1.2 13,-1.3 -2,-0.2 2,-0.2 -0.975 18.7-150.2-114.6 113.6 45.4 70.1 84.5 70 70 H A E -E 81 0C 18 -2,-0.5 2,-0.3 11,-0.2 11,-0.2 -0.572 13.3-174.3 -80.2 147.6 44.8 72.5 81.7 71 71 H V E -E 80 0C 16 9,-2.8 9,-2.3 -2,-0.2 2,-0.4 -0.998 8.0-157.6-141.1 144.1 47.3 75.3 80.7 72 72 H A E -E 79 0C 14 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.986 20.0-125.7-130.7 125.8 46.9 78.1 78.2 73 73 H G > - 0 0 0 5,-1.8 3,-1.8 -2,-0.4 5,-0.2 -0.579 18.3-138.9 -66.3 126.1 49.8 80.0 76.4 74 74 H H T 3 S+ 0 0 47 -2,-0.3 -1,-0.1 1,-0.3 294,-0.1 0.835 100.0 57.6 -54.5 -42.6 49.4 83.8 77.0 75 75 H S T 3 S- 0 0 73 292,-0.1 -1,-0.3 1,-0.1 292,-0.1 0.463 115.8-114.0 -72.7 1.7 50.4 84.7 73.5 76 76 H G S < S+ 0 0 8 -3,-1.8 -47,-0.3 2,-0.2 -2,-0.1 0.566 82.0 122.1 79.2 10.2 47.6 82.6 72.2 77 77 H S S S- 0 0 66 1,-0.1 2,-0.3 25,-0.1 -3,-0.1 0.702 72.7 -2.8 -77.9 -28.1 50.0 80.1 70.5 78 78 H D - 0 0 26 -5,-0.2 -5,-1.8 24,-0.1 2,-0.3 -0.963 50.9-150.8-154.0 169.8 49.0 76.7 72.2 79 79 H F E -EF 72 101C 4 22,-1.3 22,-1.9 -2,-0.3 2,-0.3 -0.945 24.7-175.5-142.2 155.9 46.9 75.1 74.7 80 80 H A E -EF 71 100C 4 -9,-2.3 -9,-2.8 -2,-0.3 2,-0.3 -0.998 19.5-153.9-158.6 172.0 47.7 72.0 76.7 81 81 H L E -EF 70 99C 4 18,-1.9 18,-1.7 -2,-0.3 2,-0.5 -0.960 13.5-145.7-147.5 138.7 46.8 69.4 79.1 82 82 H A E +EF 69 98C 0 -13,-1.3 -13,-1.2 -2,-0.3 2,-0.3 -0.976 43.0 179.3-103.2 129.7 48.6 67.0 81.5 83 83 H S E - F 0 97C 0 14,-3.3 14,-1.9 -2,-0.5 2,-0.4 -0.849 31.9-145.1-139.9 172.8 46.7 63.8 81.6 84 84 H T E + F 0 96C 1 -2,-0.3 -18,-2.1 12,-0.2 2,-0.3 -0.946 17.1 173.8-143.0 129.2 46.2 60.3 82.8 85 85 H S E - 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