==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-AUG-13 4MAE . COMPND 2 MOLECULE: METHANOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLACIDIPHILUM FUMARIOLICUM SOLV; . AUTHOR A.J.POL,T.R.M.BARENDS,A.DIETL,A.F.KHADEM,J.EYGENSTEIN,M.S.M. . 1154 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 745 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 329 28.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 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 . 92 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 10 0 2 0 2 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 8 3 13 8 22 4 4 0 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 . 4 0 12 6 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 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 A N > 0 0 8 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 124.9 23.8 -14.0 1.8 2 2 A D H > + 0 0 144 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.824 360.0 51.4 -64.3 -34.0 22.1 -15.9 -1.1 3 3 A E H > S+ 0 0 61 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.935 112.8 45.7 -65.6 -46.9 20.1 -18.2 1.2 4 4 A L H > S+ 0 0 5 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.869 106.6 57.5 -67.5 -37.2 18.8 -15.3 3.3 5 5 A I H < S+ 0 0 39 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.894 115.9 38.8 -59.2 -38.5 17.9 -13.2 0.3 6 6 A K H >< S+ 0 0 131 -4,-1.4 3,-1.3 -5,-0.2 4,-0.3 0.951 117.4 47.1 -71.7 -54.1 15.7 -16.1 -0.8 7 7 A L H >< S+ 0 0 23 -4,-3.1 3,-2.2 1,-0.3 6,-0.2 0.837 99.7 66.4 -63.4 -36.6 14.3 -17.2 2.6 8 8 A E T 3< S+ 0 0 33 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.689 94.0 61.7 -61.8 -18.2 13.4 -13.7 3.7 9 9 A K T < S+ 0 0 136 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.593 79.6 104.1 -80.7 -13.0 10.7 -13.5 1.0 10 10 A E X - 0 0 83 -3,-2.2 3,-1.3 -4,-0.3 -3,-0.0 -0.607 62.6-152.5 -77.2 120.1 8.8 -16.5 2.5 11 11 A P T 3 S+ 0 0 49 0, 0.0 18,-0.3 0, 0.0 -1,-0.1 0.780 91.5 58.3 -59.6 -27.7 5.7 -15.4 4.4 12 12 A G T 3 S+ 0 0 14 502,-0.2 503,-2.3 16,-0.1 2,-0.2 0.503 100.9 61.2 -83.7 -5.2 5.8 -18.4 6.7 13 13 A Q < - 0 0 38 -3,-1.3 2,-0.2 -6,-0.2 48,-0.2 -0.662 55.4-157.1-120.8 170.9 9.3 -17.8 8.2 14 14 A W B +A 60 0A 0 46,-2.6 46,-2.2 -2,-0.2 6,-0.1 -0.703 23.0 166.6-148.2 89.0 11.2 -15.2 10.2 15 15 A V + 0 0 1 4,-0.5 99,-0.7 -2,-0.2 2,-0.3 0.471 61.4 28.7 -99.5 -6.4 14.9 -15.7 9.5 16 16 A M S > S- 0 0 12 3,-0.2 3,-2.2 97,-0.1 97,-0.1 -0.966 91.1 -96.7-149.1 161.7 16.4 -12.5 10.9 17 17 A Q T 3 S+ 0 0 11 95,-0.4 -1,-0.1 -2,-0.3 96,-0.1 0.799 120.8 35.4 -51.9 -45.5 15.4 -10.2 13.7 18 18 A N T 3 S- 0 0 4 2,-0.2 7,-2.0 1,-0.1 2,-1.7 -0.097 115.0-107.2-104.7 36.4 13.6 -7.5 11.7 19 19 A K S < S+ 0 0 9 -3,-2.2 -4,-0.5 6,-0.2 2,-0.3 -0.311 89.3 15.4 79.0 -49.8 12.1 -10.0 9.1 20 20 A N S > S- 0 0 23 -2,-1.7 3,-2.0 -6,-0.1 -2,-0.2 -0.871 87.9 -90.7-147.8 172.6 14.4 -9.1 6.2 21 21 A Y T 3 S+ 0 0 2 1,-0.3 222,-1.8 -2,-0.3 -2,-0.1 0.782 123.5 59.4 -61.7 -27.3 17.5 -7.3 5.2 22 22 A A T 3 S- 0 0 23 220,-0.2 286,-2.1 285,-0.1 -1,-0.3 0.506 104.5-132.6 -77.5 -7.0 15.5 -4.1 4.7 23 23 A N < + 0 0 6 -3,-2.0 -4,-0.1 284,-0.2 -2,-0.1 0.808 57.5 143.4 59.0 35.6 14.4 -4.3 8.4 24 24 A T - 0 0 18 369,-0.1 370,-2.6 2,-0.1 -5,-0.2 0.729 46.1-149.8 -78.1 -20.9 10.7 -3.7 7.5 25 25 A R + 0 0 1 -7,-2.0 447,-2.1 1,-0.2 2,-0.4 0.829 48.3 142.9 51.4 36.8 9.3 -6.0 10.1 26 26 A Y E -e 472 0B 10 -8,-0.3 2,-0.4 445,-0.2 447,-0.2 -0.900 35.9-162.9-112.3 134.7 6.4 -6.7 7.7 27 27 A S E -e 473 0B 0 445,-2.8 447,-1.7 -2,-0.4 448,-0.2 -0.953 17.3-153.8-116.4 135.8 4.6 -10.0 7.2 28 28 A E + 0 0 107 -2,-0.4 445,-0.1 445,-0.2 -1,-0.1 0.529 60.8 119.3 -78.6 -7.8 2.4 -10.9 4.2 29 29 A L + 0 0 13 -18,-0.3 446,-0.7 1,-0.1 445,-0.5 -0.377 33.4 172.3 -62.8 135.0 0.4 -13.4 6.3 30 30 A N + 0 0 102 444,-0.2 -1,-0.1 443,-0.1 443,-0.0 0.156 45.3 105.7-134.0 20.1 -3.3 -12.6 6.6 31 31 A Q S S+ 0 0 78 1,-0.1 2,-0.5 2,-0.0 5,-0.1 0.904 86.5 51.9 -62.6 -42.0 -4.9 -15.5 8.4 32 32 A I S S+ 0 0 1 490,-0.1 2,-0.2 3,-0.1 445,-0.2 -0.860 83.9 147.6 -94.5 126.7 -5.1 -13.3 11.4 33 33 A N >> - 0 0 23 -2,-0.5 4,-2.0 443,-0.1 3,-0.6 -0.845 62.7 -76.4-150.3-177.0 -6.7 -10.0 10.5 34 34 A T T 34 S+ 0 0 56 441,-1.6 4,-0.2 -2,-0.2 442,-0.1 0.768 123.3 54.6 -62.4 -26.5 -8.9 -7.1 11.7 35 35 A K T 34 S+ 0 0 178 440,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.832 123.2 20.7 -74.3 -34.4 -12.1 -9.2 11.3 36 36 A N T X4 S+ 0 0 41 -3,-0.6 3,-2.3 1,-0.1 -2,-0.2 0.475 87.3 101.2-119.6 -3.5 -11.0 -12.2 13.5 37 37 A V G >< S+ 0 0 1 -4,-2.0 3,-1.9 1,-0.3 -3,-0.1 0.761 73.0 72.1 -62.8 -22.5 -8.2 -11.0 15.8 38 38 A S G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -4,-0.2 462,-0.1 0.762 94.1 56.4 -60.4 -23.0 -10.6 -10.7 18.7 39 39 A R G < S+ 0 0 130 -3,-2.3 538,-0.4 460,-0.1 -1,-0.3 0.385 79.2 124.9 -88.1 0.6 -10.7 -14.6 18.7 40 40 A L < + 0 0 0 -3,-1.9 2,-0.3 -4,-0.2 536,-0.2 -0.365 34.3 168.8 -64.0 138.4 -6.9 -14.8 19.2 41 41 A R E -I 575 0C 60 534,-1.9 534,-2.5 -2,-0.0 2,-0.2 -0.959 42.6 -76.5-146.0 162.7 -5.8 -16.9 22.2 42 42 A L E -I 574 0C 5 -2,-0.3 532,-0.3 578,-0.3 578,-0.3 -0.426 36.7-179.0 -64.2 129.7 -2.6 -18.5 23.6 43 43 A A E - 0 0 36 530,-3.1 1037,-0.5 1,-0.4 2,-0.3 0.824 64.4 -31.1 -92.3 -48.9 -1.6 -21.6 21.7 44 44 A W E -I 573 0C 6 529,-1.8 529,-2.5 1035,-0.1 -1,-0.4 -0.978 54.2-149.0-161.5 167.8 1.5 -22.4 23.8 45 45 A S E -I 572 0C 0 1035,-1.5 2,-0.3 -2,-0.3 527,-0.2 -0.943 1.6-159.6-143.4 167.2 4.4 -21.0 25.8 46 46 A F E -I 571 0C 1 525,-2.3 525,-3.2 -2,-0.3 2,-0.4 -0.967 17.6-132.5-152.0 124.9 8.0 -21.7 26.7 47 47 A S E -I 570 0C 2 1035,-2.5 523,-0.2 -2,-0.3 1097,-0.1 -0.665 5.3-153.4 -81.8 132.4 10.2 -20.4 29.6 48 48 A T - 0 0 0 521,-1.6 26,-0.1 -2,-0.4 522,-0.1 0.614 33.9-126.5 -77.9 -13.3 13.6 -19.1 28.7 49 49 A G S S+ 0 0 7 520,-0.6 2,-0.3 1096,-0.5 1097,-0.1 0.636 76.0 99.7 76.3 14.7 14.9 -20.0 32.1 50 50 A A - 0 0 4 519,-0.3 -1,-0.3 1095,-0.1 2,-0.2 -0.877 58.0-146.6-129.0 158.5 16.2 -16.4 32.6 51 51 A L + 0 0 46 20,-0.4 518,-0.1 -2,-0.3 19,-0.1 -0.701 57.1 44.5-114.6 174.4 15.1 -13.2 34.3 52 52 A R S S- 0 0 50 -2,-0.2 516,-0.2 477,-0.1 18,-0.2 -0.261 100.2 -0.8 76.6-169.6 15.6 -9.6 33.4 53 53 A G - 0 0 0 1,-0.1 2,-0.7 16,-0.1 56,-0.3 -0.239 52.4-166.0 -67.1 128.0 15.2 -7.9 30.0 54 54 A H + 0 0 2 474,-2.3 454,-0.4 54,-0.1 472,-0.1 -0.825 21.4 170.9-110.3 90.2 14.2 -10.1 27.1 55 55 A E + 0 0 3 -2,-0.7 454,-0.2 54,-0.4 54,-0.1 -0.287 42.3 24.7 -92.9 177.6 14.8 -8.0 23.9 56 56 A G S S- 0 0 0 452,-0.4 454,-2.3 -2,-0.1 470,-0.3 -0.227 82.6-109.0 61.4-156.2 14.7 -9.1 20.3 57 57 A G - 0 0 1 53,-0.4 55,-0.4 452,-0.2 468,-0.1 -0.950 28.8 -75.4-159.0 175.1 12.6 -12.1 19.3 58 58 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.254 37.5-132.0 -73.5 164.1 12.7 -15.7 18.2 59 59 A L E - B 0 66A 0 7,-1.9 7,-3.0 -44,-0.1 2,-0.5 -0.889 9.2-155.9-109.1 150.8 13.6 -16.9 14.7 60 60 A V E +AB 14 65A 0 -46,-2.2 -46,-2.6 -2,-0.3 2,-0.4 -0.980 19.1 168.3-125.5 115.4 11.6 -19.4 12.7 61 61 A V E > - B 0 64A 15 3,-2.5 3,-1.9 -2,-0.5 2,-0.3 -0.994 66.1 -37.2-129.3 120.9 13.6 -21.2 10.0 62 62 A G T 3 S- 0 0 43 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.518 124.1 -29.5 64.6-122.9 12.0 -24.3 8.4 63 63 A T T 3 S+ 0 0 62 -2,-0.3 17,-2.6 453,-0.1 2,-0.4 0.097 120.1 95.3-110.0 18.1 10.1 -26.1 11.2 64 64 A T E < -BC 61 79A 8 -3,-1.9 -3,-2.5 15,-0.2 2,-0.4 -0.928 57.3-155.6-116.6 131.8 12.5 -24.9 14.0 65 65 A M E -BC 60 78A 0 13,-2.5 13,-3.5 -2,-0.4 2,-0.5 -0.916 11.0-151.1-100.9 135.5 12.1 -21.9 16.3 66 66 A Y E -BC 59 77A 4 -7,-3.0 -7,-1.9 -2,-0.4 2,-0.3 -0.933 14.8-170.2-111.0 127.4 15.2 -20.5 17.8 67 67 A V E - C 0 76A 0 9,-2.7 9,-2.4 -2,-0.5 2,-0.3 -0.891 4.2-173.0-122.9 142.1 14.9 -18.8 21.2 68 68 A H E - C 0 75A 6 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.918 5.1-156.8-135.1 163.1 17.3 -16.6 23.1 69 69 A S - 0 0 1 5,-1.1 42,-0.1 -2,-0.3 -16,-0.1 -0.738 27.2 -86.4-131.8 171.2 17.5 -15.1 26.6 70 70 A A S >> S- 0 0 0 -2,-0.2 3,-2.3 1,-0.2 4,-0.6 -0.213 86.0 -12.2 -61.5 170.3 18.9 -12.4 28.8 71 71 A Y T 34 S+ 0 0 53 36,-2.0 -20,-0.4 1,-0.4 -1,-0.2 -0.184 131.1 38.7 -45.0 135.1 22.3 -13.2 30.5 72 72 A P T 34 S- 0 0 39 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.889 102.7-133.9 -86.9 23.6 23.6 -15.9 30.6 73 73 A N T <4 - 0 0 5 -3,-2.3 -2,-0.2 1,-0.1 2,-0.1 0.945 23.7-166.4 66.2 54.9 22.2 -16.1 27.1 74 74 A H < - 0 0 33 -4,-0.6 -5,-1.1 18,-0.2 2,-0.4 -0.471 5.1-155.7 -63.3 143.1 20.6 -19.5 26.9 75 75 A V E -CD 68 91A 1 16,-2.7 16,-2.8 -7,-0.2 2,-0.4 -0.991 11.3-174.4-128.0 135.3 19.8 -20.6 23.4 76 76 A Y E -CD 67 90A 7 -9,-2.4 -9,-2.7 -2,-0.4 2,-0.5 -0.970 18.2-152.1-131.1 142.7 17.1 -23.1 22.5 77 77 A A E -CD 66 89A 0 12,-2.5 11,-2.9 -2,-0.4 12,-1.3 -0.981 18.3-159.4-109.9 125.4 16.0 -24.8 19.3 78 78 A L E -CD 65 87A 0 -13,-3.5 -13,-2.5 -2,-0.5 2,-0.9 -0.926 12.3-140.2-109.5 126.7 12.3 -25.8 19.3 79 79 A D E > -CD 64 86A 33 7,-3.0 3,-1.3 -2,-0.5 7,-0.9 -0.767 13.3-166.8 -87.3 106.9 11.0 -28.5 17.0 80 80 A L T 3 S+ 0 0 16 -17,-2.6 3,-0.4 -2,-0.9 -1,-0.1 0.437 77.4 73.6 -79.7 -1.3 7.6 -27.2 15.9 81 81 A T T 3 S+ 0 0 59 -18,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.552 77.1 83.2 -82.2 -6.8 6.5 -30.5 14.4 82 82 A Q S X S- 0 0 105 -3,-1.3 3,-0.6 2,-0.2 -1,-0.2 0.033 113.9 -80.4 -97.9 27.9 6.0 -32.0 17.9 83 83 A K T 3 S- 0 0 169 1,-0.6 2,-0.1 -3,-0.4 -2,-0.1 0.880 111.2 -16.5 47.2 78.8 2.5 -30.8 18.7 84 84 A P T 3 S- 0 0 29 0, 0.0 -1,-0.6 0, 0.0 2,-0.3 -0.966 129.3 -47.0 -91.4 -24.7 3.0 -28.0 19.6 85 85 A Y < - 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