==== 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 OXIDOREDUCTASE 14-AUG-02 1MG3 . COMPND 2 MOLECULE: METHYLAMINE DEHYDROGENASE, HEAVY CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS DENITRIFICANS; . AUTHOR D.SUN,Z.W.CHEN,F.S.MATHEWS,V.L.DAVIDSON . 3036 16 28 28 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 112459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1937 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 818 26.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 25 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.1 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 . 300 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 255 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 1.4 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 5 6 1 0 0 4 4 4 0 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 0 8 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 . 28 25 27 20 15 33 9 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 24 12 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 5 A E 0 0 190 0, 0.0 2,-0.6 0, 0.0 1227,-0.0 0.000 360.0 360.0 360.0 -14.1 -39.4 -3.2 7.5 2 6 A A + 0 0 77 1160,-0.0 2,-0.4 0, 0.0 1224,-0.1 -0.678 360.0 179.3 -83.5 115.9 -40.2 0.4 8.2 3 7 A E - 0 0 41 -2,-0.6 2,-0.1 363,-0.0 363,-0.1 -0.933 24.7-124.3-119.0 142.2 -40.8 2.5 5.1 4 8 A T > - 0 0 15 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.432 32.2-106.1 -79.0 154.9 -41.7 6.2 4.8 5 9 A Q H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 120.1 53.3 -47.8 -43.5 -44.8 7.3 2.9 6 10 A A H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.947 110.8 42.9 -59.2 -52.9 -42.6 8.6 0.1 7 11 A Q H > S+ 0 0 4 358,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.685 111.2 57.9 -70.0 -16.1 -40.6 5.4 -0.4 8 12 A E H X S+ 0 0 70 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.905 109.6 42.8 -77.3 -43.9 -43.9 3.4 -0.1 9 13 A T H X S+ 0 0 67 -4,-2.2 4,-3.7 2,-0.2 5,-0.3 0.951 115.2 49.9 -65.1 -49.2 -45.4 5.3 -3.0 10 14 A Q H X S+ 0 0 32 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.952 112.9 47.9 -51.8 -50.7 -42.1 5.1 -5.0 11 15 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 1149,-1.4 0.900 113.9 46.3 -57.5 -44.2 -42.2 1.4 -4.2 12 16 A Q H X S+ 0 0 58 -4,-2.8 4,-2.9 1147,-0.2 -2,-0.2 0.961 112.4 48.6 -64.3 -52.5 -45.8 1.0 -5.3 13 17 A A H X S+ 0 0 51 -4,-3.7 4,-2.1 1,-0.2 -2,-0.2 0.886 111.4 52.6 -54.4 -39.5 -45.3 3.0 -8.5 14 18 A A H X S+ 0 0 25 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.888 108.9 48.2 -64.0 -41.6 -42.3 0.9 -9.2 15 19 A A H X S+ 0 0 2 -4,-2.1 4,-2.7 1143,-0.2 5,-0.2 0.943 107.2 58.0 -63.2 -46.2 -44.3 -2.3 -8.7 16 20 A R H X S+ 0 0 160 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.929 110.1 42.6 -46.7 -56.5 -47.0 -0.9 -11.0 17 21 A A H X S+ 0 0 48 -4,-2.1 4,-3.2 1,-0.2 -1,-0.2 0.932 113.3 49.6 -60.3 -50.5 -44.5 -0.5 -13.9 18 22 A A H X S+ 0 0 11 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.843 113.4 49.0 -59.4 -33.3 -42.7 -3.8 -13.4 19 23 A A H X S+ 0 0 28 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.958 115.4 41.3 -70.2 -51.6 -46.1 -5.5 -13.4 20 24 A A H X S+ 0 0 60 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.832 114.0 55.1 -64.8 -34.2 -47.4 -3.7 -16.5 21 25 A D H <>S+ 0 0 51 -4,-3.2 5,-3.0 -5,-0.2 4,-0.3 0.945 109.9 45.1 -62.7 -50.6 -44.0 -4.2 -18.2 22 26 A L H ><5S+ 0 0 39 -4,-2.0 3,-2.1 1,-0.2 -2,-0.2 0.968 115.6 46.8 -55.3 -58.8 -44.0 -8.0 -17.6 23 27 A A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.760 109.1 55.1 -56.7 -30.8 -47.7 -8.2 -18.8 24 28 A A T 3<5S- 0 0 73 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.479 122.8-105.2 -83.7 -2.9 -46.9 -6.1 -21.8 25 29 A G T < 5 + 0 0 59 -3,-2.1 2,-0.3 -4,-0.3 -3,-0.2 0.789 66.3 152.9 85.7 29.2 -44.1 -8.4 -22.8 26 30 A Q < - 0 0 100 -5,-3.0 2,-0.3 -6,-0.1 -1,-0.3 -0.729 33.9-139.9 -92.5 141.6 -41.1 -6.3 -21.8 27 31 A D - 0 0 120 -2,-0.3 2,-0.4 2,-0.0 1240,-0.1 -0.753 15.7-116.7-102.4 148.5 -37.8 -8.0 -20.9 28 32 A D + 0 0 26 1238,-0.5 -1,-0.0 -2,-0.3 0, 0.0 -0.671 32.6 173.9 -81.6 131.1 -35.5 -7.0 -18.1 29 33 A E - 0 0 142 -2,-0.4 1155,-0.1 2,-0.0 -1,-0.1 -0.648 25.3-142.0-140.4 79.0 -32.1 -5.9 -19.3 30 34 A P + 0 0 23 0, 0.0 2,-0.3 0, 0.0 1155,-0.2 0.003 29.1 163.9 -42.7 139.9 -30.1 -4.6 -16.3 31 35 A R - 0 0 153 1153,-0.3 1155,-1.7 1155,-0.1 2,-0.6 -0.908 43.6 -89.5-149.9 172.6 -27.8 -1.6 -16.7 32 36 A I B -a 1186 0A 57 -2,-0.3 1149,-0.0 1153,-0.2 2,-0.0 -0.828 47.2-135.8 -94.6 119.4 -26.0 1.0 -14.7 33 37 A L - 0 0 31 1153,-2.3 2,-0.4 -2,-0.6 1156,-0.3 -0.277 2.7-136.8 -74.4 158.1 -28.2 4.0 -14.0 34 38 A E - 0 0 133 1154,-0.1 80,-0.2 1155,-0.1 3,-0.1 -0.867 28.3-115.4-109.0 145.9 -27.2 7.7 -14.3 35 39 A A - 0 0 5 78,-3.3 2,-0.1 -2,-0.4 34,-0.1 -0.494 39.7 -92.6 -80.3 153.1 -28.5 10.0 -11.5 36 40 A P - 0 0 73 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.405 57.8 -82.1 -66.8 142.6 -30.9 12.7 -12.5 37 41 A A - 0 0 74 1,-0.1 76,-0.1 -2,-0.1 48,-0.0 -0.048 56.7 -94.1 -44.5 135.5 -29.3 16.1 -13.3 38 42 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.202 56.5 166.4 -54.6 143.0 -28.4 18.2 -10.3 39 43 A D > - 0 0 74 -3,-0.1 3,-2.3 1,-0.1 340,-0.3 -0.943 50.5 -85.3-151.1 171.6 -31.0 20.7 -9.3 40 44 A A T 3 S+ 0 0 25 1,-0.3 296,-0.3 -2,-0.3 339,-0.2 0.886 123.6 50.5 -47.0 -49.4 -32.1 23.1 -6.5 41 45 A R T 3 S+ 0 0 51 294,-0.1 21,-2.6 337,-0.1 2,-0.4 0.415 82.8 114.5 -75.1 2.9 -34.1 20.4 -4.6 42 46 A R E < -B 61 0B 4 -3,-2.3 337,-0.5 19,-0.2 2,-0.4 -0.619 49.1-169.9 -75.1 128.6 -31.1 18.0 -4.7 43 47 A V E -BC 60 378B 0 17,-3.9 17,-3.3 -2,-0.4 2,-0.5 -0.954 14.4-150.6-126.8 143.2 -29.8 17.4 -1.2 44 48 A Y E -BC 59 377B 3 333,-2.5 333,-2.6 -2,-0.4 2,-0.6 -0.942 7.5-169.8-115.7 125.0 -26.7 15.7 0.2 45 49 A V E -BC 58 376B 0 13,-2.3 13,-3.0 -2,-0.5 2,-0.4 -0.939 8.2-159.5-114.0 115.1 -26.5 14.0 3.6 46 50 A N E -BC 57 375B 10 329,-2.9 328,-2.1 -2,-0.6 329,-1.7 -0.818 2.8-155.3 -98.4 133.2 -23.1 12.9 4.9 47 51 A D E -B 56 0B 2 9,-2.6 9,-1.2 -2,-0.4 324,-0.1 -0.878 11.8-175.2-110.9 100.6 -22.8 10.2 7.6 48 52 A P >> - 0 0 5 0, 0.0 4,-1.3 0, 0.0 3,-0.5 0.577 34.3-140.0 -66.6 -11.4 -19.6 10.4 9.7 49 53 A A G >4 - 0 0 5 1,-0.2 3,-0.5 2,-0.2 5,-0.1 0.892 59.4 -61.4 50.1 49.0 -20.8 7.2 11.3 50 54 A H G 34 S- 0 0 104 322,-0.4 -1,-0.2 1,-0.2 411,-0.1 0.896 105.2 -47.5 45.4 51.0 -19.7 8.3 14.7 51 55 A A G <4 S+ 0 0 16 -3,-0.5 408,-0.5 1,-0.1 445,-0.3 0.810 92.1 165.3 64.1 36.3 -16.1 8.5 13.6 52 56 A A << - 0 0 13 -4,-1.3 24,-0.6 -3,-0.5 -1,-0.1 -0.287 50.4-111.9 -77.4 166.9 -15.9 5.2 11.9 53 57 A A S S+ 0 0 8 22,-0.1 2,-0.4 1,-0.1 40,-0.1 0.825 104.1 38.7 -68.9 -30.4 -13.1 4.2 9.5 54 58 A V S S- 0 0 23 -5,-0.1 20,-0.3 21,-0.1 2,-0.3 -0.964 72.1-174.0-124.9 141.1 -15.5 4.3 6.5 55 59 A T E - D 0 73B 7 18,-2.3 18,-3.0 -2,-0.4 2,-0.3 -0.802 11.6-140.4-128.1 169.0 -18.3 6.7 5.9 56 60 A Q E -BD 47 72B 12 -9,-1.2 -9,-2.6 -2,-0.3 2,-0.5 -0.988 0.8-154.7-135.9 142.1 -21.2 7.2 3.4 57 61 A Q E -BD 46 71B 8 14,-2.8 14,-2.1 -2,-0.3 2,-0.5 -0.969 14.8-148.2-116.4 126.9 -22.8 10.2 1.6 58 62 A F E -BD 45 70B 0 -13,-3.0 -13,-2.3 -2,-0.5 2,-0.7 -0.834 2.7-150.8 -98.6 124.0 -26.4 10.0 0.4 59 63 A V E -BD 44 69B 0 10,-2.8 9,-2.5 -2,-0.5 10,-1.1 -0.833 26.2-174.3 -95.7 115.8 -27.5 11.9 -2.7 60 64 A I E -BD 43 67B 0 -17,-3.3 -17,-3.9 -2,-0.7 2,-1.0 -0.867 34.0-140.5-120.7 146.5 -31.1 12.8 -2.4 61 65 A D E >> -BD 42 66B 40 5,-2.5 4,-2.4 -2,-0.3 5,-1.3 -0.861 20.8-165.2 -96.6 98.1 -33.9 14.4 -4.5 62 66 A G T 45S+ 0 0 0 -21,-2.6 -1,-0.2 -2,-1.0 -20,-0.1 0.782 83.1 61.7 -57.8 -28.6 -35.6 16.5 -1.8 63 67 A E T 45S+ 0 0 91 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.943 119.7 23.4 -64.1 -47.7 -38.6 17.0 -4.0 64 68 A A T 45S- 0 0 41 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.569 100.2-128.4 -94.0 -11.6 -39.4 13.3 -4.2 65 69 A G T <5 + 0 0 3 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.949 62.7 138.9 62.0 46.8 -37.6 12.3 -1.0 66 70 A R E < -D 61 0B 57 -5,-1.3 -5,-2.5 300,-0.1 2,-0.7 -0.944 60.1-119.2-126.7 145.7 -35.8 9.6 -2.9 67 71 A V E +D 60 0B 2 -2,-0.3 1113,-0.4 -7,-0.2 -7,-0.2 -0.745 29.5 176.6 -85.3 114.6 -32.2 8.4 -2.7 68 72 A I E - 0 0 11 -9,-2.5 2,-0.3 -2,-0.7 -8,-0.2 0.412 61.2 -31.7 -97.8 0.5 -30.7 8.9 -6.2 69 73 A G E -D 59 0B 0 -10,-1.1 -10,-2.8 1118,-0.1 2,-0.3 -0.969 51.0-129.8 167.9 177.6 -27.3 7.8 -5.2 70 74 A M E -D 58 0B 2 1118,-0.4 2,-0.4 -2,-0.3 -12,-0.2 -0.962 5.8-152.3-149.8 162.5 -24.4 7.4 -2.7 71 75 A I E -D 57 0B 4 -14,-2.1 -14,-2.8 -2,-0.3 2,-0.1 -0.986 20.0-132.8-141.8 128.4 -20.7 8.1 -2.4 72 76 A D E -D 56 0B 14 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.464 27.4-173.0 -80.3 153.6 -18.3 6.1 -0.2 73 77 A G E -D 55 0B 2 -18,-3.0 -18,-2.3 -2,-0.1 3,-0.1 -0.935 18.5-129.6-145.2 168.4 -15.9 7.8 2.1 74 78 A G - 0 0 0 -2,-0.3 2,-0.3 -20,-0.3 20,-0.2 0.105 65.2 -25.2 -94.3-149.8 -13.0 7.4 4.4 75 79 A F S S- 0 0 2 18,-2.4 -1,-0.2 1,-0.2 -22,-0.1 -0.469 118.1 -31.6 -70.0 125.5 -12.3 8.7 8.0 76 80 A L S S- 0 0 5 -24,-0.6 55,-0.3 -28,-0.3 -1,-0.2 0.775 86.0-167.6 31.4 53.0 -14.2 11.8 8.9 77 81 A P - 0 0 7 0, 0.0 15,-0.2 0, 0.0 -1,-0.1 -0.206 18.0-127.3 -67.5 158.1 -14.1 13.2 5.3 78 82 A N E -E 91 0C 7 13,-2.4 13,-2.3 55,-0.1 2,-0.4 -0.940 23.4-151.2-108.9 119.5 -15.0 16.8 4.3 79 83 A P E -E 90 0C 8 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.742 14.1-178.5 -96.2 136.0 -17.7 17.2 1.6 80 84 A V E -E 89 0C 11 9,-2.9 9,-1.6 -2,-0.4 2,-0.3 -0.879 9.7-158.0-126.2 161.9 -18.0 20.1 -0.9 81 85 A V E -E 88 0C 18 -2,-0.3 7,-0.2 7,-0.2 59,-0.1 -0.882 22.2-126.1-146.0 110.4 -20.5 20.9 -3.6 82 86 A A > - 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