==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DEHYDROGENASE 11-MAY-01 1H4I . COMPND 2 MOLECULE: METHANOL DEHYDROGENASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACTERIUM EXTORQUENS; . AUTHOR M.GHOSH,C.ANTHONY,K.HARLOS,M.G.GOODWIN,C.BLAKE . 1336 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 818 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 338 25.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.7 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 . 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 . 98 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.0 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 8 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 . 10 2 14 6 22 6 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 . 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 N > 0 0 10 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 125.4 32.9 -28.0 38.9 2 2 A D H > + 0 0 134 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.798 360.0 54.0 -66.7 -34.4 29.2 -27.7 38.4 3 3 A K H > S+ 0 0 84 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.929 109.9 48.3 -65.4 -45.3 28.3 -30.5 40.7 4 4 A L H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.922 108.0 55.3 -62.4 -42.0 30.3 -28.7 43.4 5 5 A V H < S+ 0 0 51 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.923 112.2 42.8 -56.5 -46.6 28.6 -25.5 42.7 6 6 A E H >< S+ 0 0 145 -4,-2.0 3,-1.9 1,-0.2 4,-0.2 0.945 113.3 51.3 -64.9 -47.9 25.2 -27.1 43.2 7 7 A L H >< S+ 0 0 51 -4,-3.0 3,-2.3 1,-0.3 6,-0.2 0.912 102.2 62.3 -55.7 -40.6 26.4 -29.0 46.3 8 8 A S T 3< S+ 0 0 22 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.576 93.7 63.6 -64.4 -10.0 27.6 -25.7 47.7 9 9 A K T < S+ 0 0 111 -3,-1.9 2,-0.5 -4,-0.3 -1,-0.3 0.502 83.5 90.6 -93.7 -0.7 24.1 -24.3 47.7 10 10 A S X - 0 0 45 -3,-2.3 3,-1.2 -4,-0.2 0, 0.0 -0.791 68.0-150.2 -93.9 132.0 22.9 -26.9 50.2 11 11 A D T 3 S+ 0 0 40 -2,-0.5 513,-1.3 1,-0.2 -1,-0.1 0.567 94.3 70.9 -75.9 -5.6 23.2 -25.8 53.9 12 12 A D T 3 S+ 0 0 75 511,-0.3 51,-0.3 -5,-0.1 2,-0.3 0.538 98.8 57.1 -84.3 -9.9 23.6 -29.5 54.7 13 13 A N < - 0 0 18 -3,-1.2 2,-0.2 -6,-0.2 48,-0.2 -0.828 49.3-172.3-123.5 163.5 27.1 -29.5 53.1 14 14 A W B +A 60 0A 1 46,-2.7 46,-1.9 -2,-0.3 6,-0.1 -0.778 26.2 172.6-147.9 87.4 30.4 -27.7 53.4 15 15 A V + 0 0 2 4,-0.4 98,-0.5 -2,-0.2 5,-0.1 0.515 49.4 15.7 -86.9 -7.5 32.1 -29.1 50.4 16 16 A M S > S- 0 0 6 3,-0.2 3,-2.1 96,-0.1 96,-0.1 -0.978 91.3 -70.1-159.5 164.2 35.3 -27.2 49.9 17 17 A P T 3 S+ 0 0 7 0, 0.0 6,-0.1 0, 0.0 229,-0.1 -0.397 122.7 18.8 -57.8 129.5 37.8 -24.9 51.6 18 18 A G T 3 S- 0 0 0 1,-0.2 2,-1.6 5,-0.1 7,-1.6 0.512 112.8-102.2 88.8 -1.5 36.1 -21.5 51.9 19 19 A K S < S+ 0 0 10 -3,-2.1 -4,-0.4 5,-0.2 -3,-0.2 -0.472 92.9 14.2 87.8 -63.4 32.6 -22.9 51.5 20 20 A N S > S- 0 0 26 -2,-1.6 3,-0.8 -5,-0.1 5,-0.1 -0.689 90.7 -89.1-134.8 179.5 32.0 -21.9 47.9 21 21 A Y T 3 S+ 0 0 19 1,-0.3 227,-2.1 -2,-0.2 291,-0.1 0.811 124.9 60.0 -68.6 -26.6 34.0 -20.7 44.9 22 22 A D T 3 S- 0 0 62 225,-0.2 290,-2.6 289,-0.1 -1,-0.3 0.754 105.1-134.9 -66.5 -27.0 33.5 -17.1 46.0 23 23 A S < + 0 0 1 -3,-0.8 -4,-0.2 288,-0.2 -2,-0.1 0.877 52.5 149.6 69.2 41.6 35.3 -18.1 49.2 24 24 A N - 0 0 15 -6,-0.2 376,-2.2 2,-0.1 457,-0.2 0.728 41.8-153.4 -68.2 -42.6 32.7 -16.3 51.3 25 25 A N + 0 0 0 -7,-1.6 456,-2.5 1,-0.2 2,-0.4 0.884 53.5 137.3 57.0 37.5 32.7 -18.4 54.5 26 26 A F E -e 481 0B 15 -8,-0.2 2,-0.4 454,-0.2 456,-0.2 -0.968 39.9-162.3-119.5 134.1 29.2 -17.1 54.7 27 27 A S E -e 482 0B 1 454,-2.3 456,-2.0 -2,-0.4 457,-0.2 -0.916 18.7-154.8-117.5 141.0 26.1 -19.1 55.7 28 28 A D + 0 0 91 -2,-0.4 -1,-0.1 454,-0.2 454,-0.1 0.578 63.2 115.7 -85.2 -11.4 22.5 -18.2 55.0 29 29 A L + 0 0 24 1,-0.1 454,-0.6 -18,-0.0 455,-0.4 -0.333 35.4 172.8 -59.7 135.1 21.5 -20.3 58.0 30 30 A K + 0 0 133 453,-0.2 -1,-0.1 452,-0.1 452,-0.0 0.089 44.8 109.6-135.0 25.6 19.9 -18.2 60.8 31 31 A Q S S+ 0 0 71 1,-0.2 2,-0.7 2,-0.0 5,-0.0 0.965 87.0 49.4 -62.3 -47.0 18.7 -20.9 63.3 32 32 A I S S+ 0 0 0 3,-0.1 2,-0.3 5,-0.0 -1,-0.2 -0.815 85.9 153.9 -93.5 115.4 21.6 -19.6 65.4 33 33 A N >> - 0 0 53 -2,-0.7 3,-2.0 452,-0.1 4,-1.2 -0.828 60.9 -84.0-136.5 176.3 21.2 -15.8 65.5 34 34 A K T 34 S+ 0 0 66 450,-2.1 4,-0.3 1,-0.3 451,-0.1 0.772 122.2 61.5 -58.9 -20.8 22.2 -12.9 67.7 35 35 A G T 34 S+ 0 0 51 1,-0.2 -1,-0.3 449,-0.1 -3,-0.1 0.681 120.3 20.9 -78.9 -15.8 19.0 -13.4 69.8 36 36 A N T X4 S+ 0 0 29 -3,-2.0 3,-2.2 2,-0.1 -2,-0.2 0.332 82.0 109.3-135.4 10.5 20.0 -16.9 70.9 37 37 A V G >< S+ 0 0 0 -4,-1.2 3,-2.6 1,-0.3 -3,-0.1 0.822 72.4 72.6 -57.0 -33.9 23.7 -17.4 70.5 38 38 A K G 3 S+ 0 0 119 1,-0.3 -1,-0.3 -4,-0.3 471,-0.1 0.709 91.2 58.6 -53.7 -19.9 23.9 -17.4 74.3 39 39 A Q G < S+ 0 0 67 -3,-2.2 542,-3.0 2,-0.0 543,-0.3 0.404 77.3 124.4 -90.8 3.2 22.3 -20.9 74.2 40 40 A L E < +I 580 0C 0 -3,-2.6 540,-0.2 540,-0.2 469,-0.1 -0.466 33.5 161.1 -68.3 126.4 25.1 -22.3 72.1 41 41 A R E -I 579 0C 24 538,-2.5 538,-1.9 -2,-0.3 541,-0.3 -0.963 45.8 -83.8-144.2 156.0 26.7 -25.4 73.7 42 42 A P E -I 578 0C 2 0, 0.0 536,-0.3 0, 0.0 3,-0.1 -0.340 32.6-176.1 -61.6 141.3 28.9 -28.3 72.6 43 43 A A E - 0 0 7 534,-3.6 1138,-0.4 1,-0.5 2,-0.3 0.628 67.7 -20.5-104.7 -30.6 26.8 -31.2 71.2 44 44 A W E -I 577 0C 3 533,-1.3 533,-2.4 1136,-0.1 -1,-0.5 -0.950 58.9-150.3-172.8 161.2 29.8 -33.7 70.7 45 45 A T E -I 576 0C 12 1136,-1.2 2,-0.3 -2,-0.3 531,-0.2 -0.896 1.8-161.8-139.6 167.2 33.6 -33.8 70.3 46 46 A F E -I 575 0C 8 529,-1.9 529,-2.6 -2,-0.3 2,-0.4 -0.917 11.9-145.1-155.5 124.7 36.3 -35.8 68.7 47 47 A S E -I 574 0C 5 1136,-2.3 527,-0.3 -2,-0.3 1193,-0.2 -0.775 5.3-152.7 -93.1 138.9 40.0 -36.0 69.4 48 48 A T - 0 0 1 525,-1.7 1193,-0.2 -2,-0.4 526,-0.2 0.647 34.0-125.7 -80.7 -18.6 42.3 -36.6 66.4 49 49 A G S S+ 0 0 8 524,-0.7 2,-0.3 1192,-0.5 1192,-0.2 0.632 78.1 94.3 83.3 10.9 44.9 -38.3 68.6 50 50 A L - 0 0 33 523,-0.2 -1,-0.3 1191,-0.1 -2,-0.2 -0.895 59.2-148.6-132.1 157.4 47.7 -35.9 67.4 51 51 A L + 0 0 29 -2,-0.3 19,-0.3 -3,-0.1 522,-0.0 -0.232 54.6 76.8-105.6-155.2 49.1 -32.7 68.9 52 52 A N S S- 0 0 22 -2,-0.1 520,-0.2 485,-0.1 18,-0.2 0.113 94.9 -29.4 69.6 164.1 50.6 -29.7 66.9 53 53 A G - 0 0 0 1,-0.1 2,-0.7 486,-0.1 55,-0.2 -0.235 49.2-155.4 -58.7 133.3 48.6 -27.1 65.0 54 54 A H + 0 0 2 482,-2.3 463,-0.6 53,-0.1 480,-0.1 -0.849 25.7 176.3-109.8 88.9 45.2 -28.1 63.6 55 55 A E + 0 0 5 -2,-0.7 463,-0.3 53,-0.4 2,-0.1 -0.406 39.1 25.5 -90.5 172.7 44.5 -25.7 60.7 56 56 A G S S- 0 0 1 461,-0.5 463,-0.8 -2,-0.1 478,-0.3 -0.454 83.1 -94.1 76.8-152.3 41.7 -25.5 58.2 57 57 A A - 0 0 5 52,-0.4 54,-0.5 461,-0.2 2,-0.1 -0.952 36.1 -90.3-158.8 161.1 38.3 -26.9 58.9 58 58 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.359 32.6-126.9 -78.0 161.6 36.4 -30.1 58.3 59 59 A L E - B 0 66A 3 7,-1.7 7,-2.9 -44,-0.1 2,-0.5 -0.861 14.5-160.1-106.2 144.9 34.2 -31.0 55.3 60 60 A V E +AB 14 65A 0 -46,-1.9 -46,-2.7 -2,-0.4 2,-0.3 -0.995 23.7 155.8-124.8 118.8 30.7 -32.2 55.6 61 61 A V E > - B 0 64A 3 3,-2.1 3,-0.6 -2,-0.5 -48,-0.1 -0.931 63.4 -6.1-147.9 127.1 29.2 -34.0 52.5 62 62 A D T 3 S- 0 0 106 -2,-0.3 3,-0.1 1,-0.2 -49,-0.1 0.897 129.4 -49.9 61.7 43.3 26.4 -36.5 52.2 63 63 A G T 3 S+ 0 0 32 -51,-0.3 17,-2.5 1,-0.2 18,-0.3 0.663 118.0 105.3 71.5 17.3 25.8 -36.8 56.0 64 64 A K E < -BC 61 79A 26 -3,-0.6 -3,-2.1 15,-0.2 2,-0.4 -0.929 58.5-145.2-128.7 148.1 29.5 -37.4 56.8 65 65 A M E -BC 60 78A 0 13,-2.7 13,-2.8 -2,-0.3 2,-0.5 -0.948 12.6-153.0-112.0 135.7 32.2 -35.2 58.3 66 66 A Y E -BC 59 77A 1 -7,-2.9 -7,-1.7 -2,-0.4 2,-0.4 -0.956 12.4-163.7-111.4 126.3 35.8 -35.6 57.0 67 67 A I E - C 0 76A 0 9,-2.8 9,-2.0 -2,-0.5 2,-0.3 -0.921 5.3-168.7-115.8 140.3 38.6 -34.6 59.5 68 68 A H E - C 0 75A 8 -2,-0.4 7,-0.2 7,-0.2 2,-0.2 -0.884 7.4-160.8-123.5 158.0 42.2 -33.9 58.8 69 69 A T - 0 0 3 5,-1.1 41,-0.1 -2,-0.3 -16,-0.1 -0.585 26.9 -87.1-127.2-174.7 45.2 -33.5 61.1 70 70 A S S >> S- 0 0 0 -19,-0.3 3,-1.9 1,-0.2 4,-0.6 -0.217 85.7 -9.9 -80.2 179.8 48.7 -32.2 61.5 71 71 A F T 34 S+ 0 0 19 35,-2.7 -1,-0.2 1,-0.4 35,-0.1 -0.264 130.0 38.2 -50.4 140.4 51.6 -34.5 60.4 72 72 A P T 34 S- 0 0 34 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.801 102.3-136.8 -77.9 25.3 51.4 -37.5 59.6 73 73 A N T <4 - 0 0 6 -3,-1.9 -2,-0.2 33,-0.2 2,-0.1 0.915 27.4-173.5 57.6 65.2 48.2 -36.2 58.1 74 74 A N < - 0 0 11 -4,-0.6 -5,-1.1 17,-0.1 2,-0.4 -0.434 10.2-148.1 -85.7 159.0 45.5 -38.7 59.0 75 75 A T E -CD 68 90A 1 15,-2.3 15,-2.7 -7,-0.2 2,-0.4 -0.998 12.6-173.6-130.8 136.0 42.0 -38.6 57.6 76 76 A F E -CD 67 89A 0 -9,-2.0 -9,-2.8 -2,-0.4 2,-0.5 -0.958 10.9-155.2-128.2 146.4 38.9 -39.7 59.4 77 77 A A E -CD 66 88A 0 11,-2.1 10,-2.4 -2,-0.4 11,-0.9 -0.983 14.1-171.6-121.4 127.5 35.3 -40.0 58.2 78 78 A L E -CD 65 86A 0 -13,-2.8 -13,-2.7 -2,-0.5 2,-0.5 -0.971 22.9-127.2-122.1 137.1 32.5 -39.8 60.7 79 79 A G E > -C 64 0A 17 6,-0.8 3,-1.7 3,-0.5 6,-0.2 -0.730 18.2-137.9 -82.1 125.9 28.8 -40.5 60.1 80 80 A L T 3 S+ 0 0 6 -17,-2.5 -1,-0.1 -2,-0.5 -16,-0.1 0.615 99.3 58.5 -58.8 -19.8 26.7 -37.5 61.4 81 81 A D T 3 S+ 0 0 82 -18,-0.3 -1,-0.3 1,-0.2 -17,-0.1 0.687 126.2 14.8 -84.4 -18.0 24.0 -39.8 62.9 82 82 A D X + 0 0 46 -3,-1.7 3,-2.0 3,-0.1 -3,-0.5 -0.537 68.4 175.3-155.1 74.3 26.5 -41.6 65.2 83 83 A P T 3 S+ 0 0 3 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.693 72.0 77.7 -57.9 -20.6 29.8 -39.6 65.3 84 84 A G T 3 S+ 0 0 2 -5,-0.1 2,-0.6 -6,-0.1 508,-0.0 0.743 82.0 75.4 -62.6 -26.2 31.1 -42.1 67.8 85 85 A T S < S- 0 0 38 -3,-2.0 -6,-0.8 -6,-0.2 2,-0.7 -0.815 77.7-142.2 -94.3 124.0 31.8 -44.6 65.1 86 86 A I E -D 78 0A 9 1151,-2.9 -8,-0.2 -2,-0.6 3,-0.1 -0.737 11.4-162.9 -82.2 112.3 34.9 -43.9 62.9 87 87 A L E - 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