==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (PQQ(A)-CHOH(D)) 10-MAR-96 4AAH . COMPND 2 MOLECULE: METHANOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOPHILUS METHYLOTROPHUS; . AUTHOR F.S.MATHEWS,Z.-X.XIA . 1280 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40986.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 786 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 335 26.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.0 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 . 1 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 . 94 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 7 2 0 2 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 7 2 13 5 25 4 5 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 . 2 2 10 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 D > 0 0 12 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-175.9 -30.2 4.4 34.8 2 2 A A H > + 0 0 81 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.884 360.0 52.9 -63.4 -38.3 -32.0 1.1 35.7 3 3 A D H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.954 113.1 41.9 -62.3 -48.6 -34.0 1.5 32.5 4 4 A L H > S+ 0 0 2 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.923 111.6 56.6 -66.2 -36.0 -30.8 1.9 30.5 5 5 A D H X S+ 0 0 63 -4,-3.6 4,-1.4 1,-0.2 -1,-0.2 0.909 106.5 50.9 -60.1 -39.2 -29.2 -0.9 32.5 6 6 A K H >< S+ 0 0 131 -4,-2.4 3,-0.5 2,-0.2 4,-0.5 0.956 112.3 44.7 -60.3 -53.3 -32.1 -3.0 31.5 7 7 A Q H >< S+ 0 0 14 -4,-2.2 3,-1.4 1,-0.3 6,-0.3 0.906 111.1 53.6 -57.7 -44.6 -31.6 -2.2 27.8 8 8 A V H 3< S+ 0 0 53 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.776 109.6 50.2 -62.2 -31.3 -27.9 -2.7 28.0 9 9 A N T << S+ 0 0 135 -4,-1.4 2,-0.4 -3,-0.5 -1,-0.3 0.473 91.6 94.8 -87.2 -3.6 -28.6 -6.2 29.5 10 10 A T S X S- 0 0 70 -3,-1.4 3,-1.1 -4,-0.5 2,-0.2 -0.766 80.4-117.6 -93.1 133.3 -31.0 -7.2 26.7 11 11 A A T 3 S+ 0 0 95 -2,-0.4 3,-0.1 1,-0.2 504,-0.1 -0.505 94.9 12.5 -70.1 132.1 -29.6 -9.2 23.8 12 12 A G T 3 S+ 0 0 11 1,-0.3 503,-2.1 -2,-0.2 -1,-0.2 0.389 95.8 118.4 84.9 -5.5 -29.9 -7.4 20.4 13 13 A A < - 0 0 18 -3,-1.1 -1,-0.3 -6,-0.3 48,-0.2 -0.434 46.2-162.0 -83.8 167.8 -30.8 -4.0 21.8 14 14 A W B +A 60 0A 12 46,-3.7 46,-2.0 -2,-0.1 -6,-0.1 -0.560 27.4 152.1-154.1 73.9 -28.5 -1.0 21.1 15 15 A P + 0 0 11 0, 0.0 98,-0.6 0, 0.0 2,-0.4 0.407 57.6 67.6 -88.9 -2.4 -29.2 1.7 23.6 16 16 A I S > S- 0 0 12 1,-0.1 3,-2.7 96,-0.1 96,-0.1 -0.989 72.0-140.4-130.2 127.3 -25.8 3.3 23.6 17 17 A A T 3 S+ 0 0 29 -2,-0.4 -1,-0.1 94,-0.4 95,-0.1 0.858 105.3 43.1 -43.7 -52.0 -24.1 5.1 20.8 18 18 A T T 3 S- 0 0 3 2,-0.1 7,-1.7 -3,-0.1 -1,-0.3 0.403 120.7-100.9 -83.4 2.7 -20.7 3.6 21.7 19 19 A G S < S- 0 0 31 -3,-2.7 2,-0.3 6,-0.2 -2,-0.1 0.133 86.3 -20.2 104.9 -20.2 -22.0 0.0 22.3 20 20 A G S > S- 0 0 14 1,-0.1 3,-1.4 -6,-0.1 -2,-0.1 -0.959 88.2 -62.2 159.8 174.7 -21.9 0.2 26.1 21 21 A Y T 3 S+ 0 0 24 -2,-0.3 221,-2.9 1,-0.3 -1,-0.1 0.861 130.8 48.7 -50.5 -41.9 -20.6 2.0 29.1 22 22 A Y T 3 S- 0 0 65 219,-0.2 284,-2.2 -3,-0.1 -1,-0.3 0.480 101.9-134.7 -78.8 -16.0 -17.1 1.0 28.2 23 23 A S < + 0 0 1 -3,-1.4 368,-0.1 282,-0.2 -4,-0.1 0.821 56.7 141.7 59.0 46.7 -17.4 2.1 24.6 24 24 A Q - 0 0 33 281,-0.1 369,-2.0 2,-0.1 -5,-0.2 0.470 50.8-145.5 -88.0 -10.7 -15.8 -1.0 23.0 25 25 A H + 0 0 4 -7,-1.7 447,-1.1 367,-0.2 2,-0.3 0.859 51.8 121.3 42.8 59.3 -18.4 -0.7 20.2 26 26 A N E -e 472 0B 35 445,-0.2 447,-0.2 366,-0.1 -1,-0.2 -0.812 48.0-139.3-137.8 175.6 -18.8 -4.4 19.7 27 27 A S E -e 473 0B 11 445,-2.1 447,-2.7 -2,-0.3 448,-0.2 -0.984 18.0-146.0-149.6 137.8 -21.4 -7.2 19.7 28 28 A P + 0 0 93 0, 0.0 2,-0.4 0, 0.0 445,-0.1 0.528 65.7 121.6 -74.0 -6.5 -21.8 -10.8 20.8 29 29 A L + 0 0 31 1,-0.1 446,-0.8 445,-0.0 445,-0.1 -0.461 29.0 165.6 -66.0 122.6 -24.1 -11.4 17.8 30 30 A A + 0 0 44 -2,-0.4 -1,-0.1 444,-0.2 443,-0.0 0.157 41.5 106.3-122.1 13.1 -22.6 -14.2 15.7 31 31 A Q S S+ 0 0 78 1,-0.0 2,-0.5 2,-0.0 -1,-0.1 0.929 83.7 54.5 -61.7 -41.1 -25.5 -15.2 13.4 32 32 A I S S+ 0 0 0 -3,-0.1 443,-0.3 4,-0.1 2,-0.3 -0.813 81.9 156.6 -90.6 131.1 -23.6 -13.4 10.6 33 33 A N >> - 0 0 44 -2,-0.5 4,-2.9 443,-0.1 3,-1.1 -0.833 58.5 -78.8-145.3 178.4 -20.0 -14.8 10.4 34 34 A K T 34 S+ 0 0 80 441,-1.6 4,-0.2 -2,-0.3 442,-0.1 0.624 128.4 48.6 -55.3 -20.8 -17.0 -15.2 8.1 35 35 A S T 34 S+ 0 0 108 440,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.731 120.6 35.4 -96.2 -18.4 -18.7 -18.2 6.4 36 36 A N T X4 S+ 0 0 40 -3,-1.1 3,-3.4 1,-0.1 -2,-0.2 0.616 88.2 93.2 -93.4 -46.2 -22.0 -16.4 5.9 37 37 A V G >< S+ 0 0 1 -4,-2.9 3,-2.7 1,-0.3 -3,-0.1 0.721 73.3 68.7 -35.8 -44.7 -21.0 -12.8 5.2 38 38 A K G 3 S+ 0 0 170 1,-0.3 -1,-0.3 -4,-0.2 462,-0.1 0.663 100.0 52.0 -54.1 -22.3 -21.0 -13.2 1.4 39 39 A N G < S+ 0 0 110 -3,-3.4 -1,-0.3 2,-0.0 -2,-0.2 0.329 75.7 122.0 -97.4 4.0 -24.8 -13.6 1.5 40 40 A V < + 0 0 6 -3,-2.7 2,-0.3 -4,-0.1 531,-0.3 -0.422 41.1 179.0 -63.1 143.7 -25.7 -10.5 3.6 41 41 A K E -I 570 0C 80 529,-4.2 529,-1.8 -2,-0.1 644,-0.1 -0.968 36.7 -80.4-144.1 159.6 -28.1 -8.4 1.5 42 42 A A E -I 569 0C 4 -2,-0.3 642,-0.3 642,-0.3 527,-0.3 -0.307 38.1-176.6 -58.1 139.2 -30.0 -5.1 1.9 43 43 A A E - 0 0 30 525,-3.0 1101,-0.3 1,-0.5 2,-0.3 0.622 59.3 -34.5-108.2 -34.9 -33.1 -5.6 4.0 44 44 A W E -I 568 0C 20 524,-1.3 524,-2.3 1099,-0.1 -1,-0.5 -0.922 54.9-144.8 179.2 164.5 -34.7 -2.1 3.9 45 45 A S E -I 567 0C 0 1099,-0.9 2,-0.3 -2,-0.3 522,-0.2 -0.921 2.1-157.6-145.5 167.4 -33.8 1.6 3.9 46 46 A F E -I 566 0C 4 520,-2.3 520,-2.9 -2,-0.3 2,-0.3 -0.964 9.0-148.2-150.3 129.8 -34.9 5.0 5.1 47 47 A S E -I 565 0C 6 1099,-2.3 518,-0.3 -2,-0.3 1156,-0.2 -0.814 4.3-156.4-100.7 139.9 -34.2 8.6 3.9 48 48 A T - 0 0 0 516,-2.4 1156,-0.2 -2,-0.3 517,-0.2 0.589 33.6-129.4 -85.6 -19.7 -34.1 11.4 6.5 49 49 A G S S+ 0 0 12 515,-0.9 2,-0.3 1155,-0.4 1155,-0.2 0.713 77.6 99.6 76.7 21.9 -35.0 13.9 3.8 50 50 A V - 0 0 16 514,-0.3 -2,-0.3 1154,-0.1 -1,-0.3 -0.927 60.0-149.7-130.6 147.6 -32.0 16.2 4.9 51 51 A L + 0 0 29 -2,-0.3 19,-0.3 20,-0.2 513,-0.1 -0.157 52.7 71.0 -99.6-151.7 -28.6 16.3 3.1 52 52 A N S S- 0 0 31 476,-0.2 511,-0.3 -2,-0.1 2,-0.2 -0.066 95.7 -16.1 69.4 177.1 -25.2 17.0 4.6 53 53 A G - 0 0 0 1,-0.1 2,-0.8 16,-0.1 55,-0.3 -0.368 52.6-159.3 -60.8 125.5 -23.2 14.8 6.9 54 54 A H + 0 0 1 473,-2.9 454,-0.8 -2,-0.2 455,-0.2 -0.855 24.0 172.5-110.4 93.4 -25.1 12.0 8.6 55 55 A E + 0 0 5 -2,-0.8 454,-0.2 53,-0.4 13,-0.1 -0.451 39.0 29.8 -96.8 168.1 -23.0 11.0 11.6 56 56 A G S S- 0 0 8 452,-0.4 469,-0.4 -2,-0.1 54,-0.2 -0.386 78.5-104.5 82.7-164.4 -23.8 8.6 14.5 57 57 A A - 0 0 18 52,-0.3 54,-0.5 452,-0.1 467,-0.1 -0.925 36.2 -88.2-157.5 159.8 -26.0 5.5 14.1 58 58 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.309 36.2-122.0 -75.5 165.7 -29.6 4.8 15.2 59 59 A L E - B 0 66A 3 7,-1.9 7,-2.0 -44,-0.1 2,-0.5 -0.863 16.0-153.7-104.5 140.7 -30.6 3.4 18.6 60 60 A V E +AB 14 65A 1 -46,-2.0 -46,-3.7 -2,-0.4 2,-0.4 -0.986 19.5 168.0-120.8 119.6 -32.5 0.1 19.0 61 61 A I E > - B 0 64A 15 3,-2.2 3,-0.9 -2,-0.5 2,-0.5 -0.891 66.3 -45.7-131.2 100.2 -34.7 -0.2 22.1 62 62 A G T 3 S- 0 0 50 -2,-0.4 -48,-0.0 1,-0.2 17,-0.0 -0.718 122.3 -23.9 78.3-122.4 -37.1 -3.2 22.1 63 63 A D T 3 S+ 0 0 55 -2,-0.5 17,-3.8 -3,-0.1 18,-0.5 0.016 119.8 99.9-105.6 17.5 -38.9 -3.2 18.7 64 64 A M E < -BC 61 79A 18 -3,-0.9 -3,-2.2 15,-0.2 2,-0.4 -0.906 53.4-162.5-110.6 141.9 -38.3 0.5 18.2 65 65 A M E -BC 60 78A 0 13,-2.7 13,-3.1 -2,-0.4 2,-0.5 -0.950 5.8-157.3-116.6 136.3 -35.6 2.1 16.1 66 66 A Y E -BC 59 77A 3 -7,-2.0 -7,-1.9 -2,-0.4 2,-0.3 -0.995 11.4-171.7-122.2 117.0 -34.6 5.8 16.5 67 67 A V E - C 0 76A 0 9,-2.3 9,-2.1 -2,-0.5 2,-0.3 -0.840 1.2-165.7-112.0 147.7 -33.0 7.6 13.6 68 68 A H E - C 0 75A 3 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.937 2.5-155.7-135.2 155.1 -31.4 11.1 13.6 69 69 A S - 0 0 2 5,-1.2 41,-0.1 -2,-0.3 -15,-0.1 -0.679 28.6 -88.4-119.2 178.6 -30.3 13.5 10.9 70 70 A A S >> S- 0 0 0 -19,-0.3 3,-2.9 1,-0.2 4,-0.6 -0.013 85.3 -13.0 -68.7-176.0 -28.0 16.4 10.3 71 71 A F T 34 S+ 0 0 18 35,-3.0 -1,-0.2 1,-0.4 -20,-0.2 -0.294 128.1 46.3 -50.8 140.6 -29.3 19.9 11.1 72 72 A P T 34 S- 0 0 40 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.889 100.6-140.5 -80.3 23.4 -32.2 20.6 11.6 73 73 A N T <4 - 0 0 1 -3,-2.9 2,-0.2 1,-0.1 -2,-0.2 0.945 26.7-175.7 59.3 62.2 -31.8 17.5 13.7 74 74 A N < - 0 0 11 -4,-0.6 -5,-1.2 17,-0.1 2,-0.4 -0.521 13.9-142.1 -85.8 156.0 -35.1 15.6 13.2 75 75 A T E -CD 68 90A 1 15,-4.2 15,-3.4 -2,-0.2 2,-0.4 -0.989 12.2-168.3-123.4 130.0 -36.0 12.5 15.0 76 76 A Y E -CD 67 89A 0 -9,-2.1 -9,-2.3 -2,-0.4 2,-0.5 -0.975 5.2-161.2-120.3 124.3 -37.8 9.5 13.6 77 77 A A E -CD 66 88A 0 11,-3.3 10,-1.3 -2,-0.4 11,-0.9 -0.903 14.9-178.5-102.9 124.5 -39.2 6.6 15.6 78 78 A L E -CD 65 86A 0 -13,-3.1 -13,-2.7 -2,-0.5 2,-0.6 -0.972 25.8-132.3-120.2 139.4 -39.9 3.3 13.6 79 79 A N E > -C 64 0A 30 6,-0.7 3,-2.7 3,-0.4 6,-0.3 -0.829 17.6-138.5 -92.3 126.6 -41.4 0.0 14.9 80 80 A L T 3 S+ 0 0 12 -17,-3.8 -1,-0.1 -2,-0.6 -16,-0.1 0.589 99.1 74.6 -58.8 -13.0 -39.2 -2.8 13.6 81 81 A N T 3 S+ 0 0 97 -18,-0.5 -1,-0.3 1,-0.3 -17,-0.1 0.744 118.4 8.5 -76.1 -15.0 -42.5 -4.7 12.9 82 82 A D X - 0 0 50 -3,-2.7 3,-2.4 3,-0.2 -3,-0.4 -0.496 63.1-171.6-168.1 83.4 -43.1 -2.4 9.9 83 83 A P T 3 S+ 0 0 25 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.606 81.5 75.5 -50.8 -19.2 -40.2 -0.1 9.0 84 84 A G T 3 S+ 0 0 4 -5,-0.1 2,-0.5 -3,-0.1 -4,-0.1 0.618 85.1 73.3 -71.2 -19.5 -42.6 1.6 6.5 85 85 A K < - 0 0 96 -3,-2.4 2,-0.9 -6,-0.3 -6,-0.7 -0.887 68.8-149.4-107.4 132.3 -44.4 3.4 9.3 86 86 A I E -D 78 0A 8 1114,-2.6 -8,-0.2 -2,-0.5 3,-0.1 -0.840 11.0-167.9 -94.7 98.0 -43.0 6.4 11.2 87 87 A V E - 0 0 76 -10,-1.3 2,-0.3 -2,-0.9 -1,-0.2 0.790 68.8 -15.3 -56.3 -44.9 -44.6 6.2 14.6 88 88 A W E -D 77 0A 21 -11,-0.9 -11,-3.3 2,-0.0 2,-0.3 -0.943 62.7-164.3-157.6 152.3 -43.5 9.6 15.8 89 89 A Q E -D 76 0A 46 -2,-0.3 2,-0.5 -13,-0.2 -13,-0.3 -0.981 10.1-148.7-140.4 151.3 -41.1 12.2 14.5 90 90 A H E +D 75 0A 31 -15,-3.4 -15,-4.2 -2,-0.3 -2,-0.0 -0.999 17.6 178.0-127.7 123.5 -39.6 15.3 16.1 91 91 A K - 0 0 82 -2,-0.5 -17,-0.1 -17,-0.3 -18,-0.1 -0.920 18.0-145.6-131.1 97.5 -38.7 18.1 13.8 92 92 A P - 0 0 18 0, 0.0 2,-0.7 0, 0.0 -18,-0.1 -0.138 10.9-133.1 -66.4 155.1 -37.3 21.3 15.4 93 93 A K + 0 0 205 2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.957 41.9 169.1-105.8 107.2 -37.9 24.8 14.3 94 94 A Q - 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