==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-AUG-04 1W6S . COMPND 2 MOLECULE: METHANOL DEHYDROGENASE SUBUNIT 1; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACTERIUM EXTORQUENS; . AUTHOR P.A.WILLIAMS,L.COATES,F.MOHAMMED,R.GILL,P.T.ERSKINE, . 1335 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 783 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 336 25.2 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 . 14 1.0 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 . 1 0.1 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 . 68 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 7.9 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+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 9 1 0 2 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 . 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 . 8 2 14 4 24 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 18 0, 0.0 4,-1.8 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 117.0 -0.8 1.2 -37.1 2 2 A D H > + 0 0 142 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.852 360.0 53.3 -63.1 -37.3 -3.6 -0.6 -39.0 3 3 A K H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 107.3 51.9 -69.9 -35.7 -3.6 -3.7 -36.8 4 4 A L H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.901 106.5 54.4 -63.1 -39.4 -4.0 -1.5 -33.6 5 5 A V H X S+ 0 0 44 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.951 111.7 45.0 -55.1 -49.2 -7.0 0.2 -35.3 6 6 A E H >< S+ 0 0 104 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.929 111.3 51.1 -64.7 -45.8 -8.6 -3.3 -35.8 7 7 A L H >< S+ 0 0 33 -4,-2.5 3,-1.4 1,-0.2 6,-0.2 0.871 103.7 59.8 -60.4 -33.8 -7.9 -4.6 -32.3 8 8 A S H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.729 91.5 69.2 -70.9 -17.5 -9.4 -1.4 -30.8 9 9 A K T << S+ 0 0 144 -3,-1.1 2,-0.4 -4,-0.7 -1,-0.3 0.631 83.9 87.0 -73.4 -13.9 -12.8 -2.3 -32.5 10 10 A S S X S- 0 0 48 -3,-1.4 3,-1.5 -4,-0.4 0, 0.0 -0.759 70.8-147.3 -89.8 134.4 -13.2 -5.3 -30.1 11 11 A D T 3 S+ 0 0 56 -2,-0.4 513,-2.0 1,-0.3 -1,-0.1 0.587 96.1 70.5 -72.7 -8.8 -14.9 -4.8 -26.7 12 12 A D T 3 S+ 0 0 81 511,-0.2 51,-0.3 517,-0.0 2,-0.3 0.574 98.0 63.2 -77.6 -11.7 -12.6 -7.5 -25.2 13 13 A N < - 0 0 19 -3,-1.5 2,-0.3 -6,-0.2 48,-0.2 -0.828 47.6-174.6-117.4 155.5 -9.5 -5.2 -25.6 14 14 A W B +A 60 0A 2 46,-2.8 46,-2.0 -2,-0.3 6,-0.1 -0.831 25.3 169.5-138.6 98.9 -8.1 -1.8 -24.3 15 15 A V + 0 0 1 4,-0.5 98,-0.5 -2,-0.3 44,-0.1 0.467 48.4 19.2-104.5 -4.6 -4.9 -1.4 -26.4 16 16 A M S > S- 0 0 8 96,-0.1 3,-2.0 3,-0.1 96,-0.1 -0.986 90.5 -74.3-154.4 159.9 -3.4 2.2 -26.0 17 17 A P T 3 S+ 0 0 8 0, 0.0 6,-0.1 0, 0.0 3,-0.1 -0.396 124.5 20.6 -55.5 132.6 -3.5 5.2 -23.6 18 18 A G T 3 S- 0 0 0 1,-0.2 2,-1.7 5,-0.1 7,-1.4 0.562 113.3-103.5 78.0 8.5 -6.9 6.9 -24.3 19 19 A K S < S+ 0 0 17 -3,-2.0 -4,-0.5 5,-0.1 2,-0.3 -0.267 93.5 17.8 78.2 -47.3 -8.6 3.6 -25.9 20 20 A N S > S- 0 0 30 -2,-1.7 3,-1.5 -6,-0.1 5,-0.2 -0.887 90.1 -91.9-150.7 167.3 -8.4 4.7 -29.6 21 21 A Y T 3 S+ 0 0 14 1,-0.3 227,-2.0 -2,-0.3 291,-0.1 0.748 122.7 60.4 -67.2 -21.3 -6.5 7.2 -31.9 22 22 A D T 3 S- 0 0 64 225,-0.2 290,-2.7 289,-0.1 -1,-0.3 0.685 102.1-139.1 -70.2 -19.3 -9.4 9.8 -31.5 23 23 A S < + 0 0 1 -3,-1.5 -4,-0.1 288,-0.2 -2,-0.1 0.852 54.8 141.3 64.6 40.1 -8.5 9.7 -27.7 24 24 A N - 0 0 14 -6,-0.1 376,-2.1 375,-0.1 457,-0.3 0.562 51.2-144.1 -91.6 -7.4 -12.3 9.7 -26.7 25 25 A N + 0 0 0 -7,-1.4 456,-1.8 374,-0.2 2,-0.4 0.861 52.1 145.0 48.8 38.1 -12.3 7.2 -23.7 26 26 A F E -e 481 0B 24 -8,-0.2 2,-0.4 454,-0.2 456,-0.2 -0.925 35.5-162.0-118.0 127.4 -15.8 6.0 -24.9 27 27 A S E -e 482 0B 2 454,-2.1 456,-1.9 -2,-0.4 457,-0.2 -0.907 18.1-152.4-108.4 132.7 -17.2 2.4 -24.8 28 28 A D + 0 0 118 -2,-0.4 2,-0.1 454,-0.2 -1,-0.1 0.477 63.2 118.1 -73.4 -2.3 -20.2 1.1 -26.9 29 29 A L + 0 0 22 1,-0.1 455,-0.6 -18,-0.0 454,-0.5 -0.432 34.2 172.5 -68.4 140.7 -20.9 -1.5 -24.0 30 30 A K + 0 0 146 453,-0.2 -1,-0.1 -2,-0.1 452,-0.0 0.227 47.5 105.3-134.4 16.4 -24.4 -1.2 -22.3 31 31 A Q S S+ 0 0 83 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.927 87.0 49.4 -59.0 -47.7 -24.5 -4.3 -20.0 32 32 A I S S+ 0 0 1 498,-0.0 2,-0.3 3,-0.0 452,-0.2 -0.860 88.2 153.8 -86.7 122.2 -23.8 -1.9 -17.0 33 33 A N >> - 0 0 49 -2,-0.5 3,-1.4 452,-0.1 4,-1.3 -0.876 60.7 -84.7-149.8 174.8 -26.3 1.1 -17.4 34 34 A K T 34 S+ 0 0 99 450,-2.0 4,-0.2 1,-0.3 451,-0.1 0.718 122.4 57.0 -60.6 -21.2 -28.3 3.9 -15.5 35 35 A G T 34 S+ 0 0 70 449,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.719 121.3 20.6 -84.5 -21.5 -31.1 1.3 -14.8 36 36 A N T X4 S+ 0 0 35 -3,-1.4 3,-2.4 1,-0.1 4,-0.2 0.338 81.5 112.5-129.1 9.2 -28.9 -1.3 -12.9 37 37 A V G >< + 0 0 4 -4,-1.3 3,-2.0 1,-0.3 -3,-0.1 0.763 66.5 75.3 -66.5 -19.9 -25.7 0.5 -11.7 38 38 A K G 3 S+ 0 0 146 1,-0.3 -1,-0.3 -4,-0.2 471,-0.1 0.771 89.8 61.1 -58.3 -22.2 -26.7 0.1 -8.0 39 39 A Q G < S+ 0 0 80 -3,-2.4 542,-2.3 2,-0.0 -1,-0.3 0.529 76.5 117.8 -81.4 -5.6 -25.7 -3.6 -8.4 40 40 A L E < +I 580 0C 6 -3,-2.0 540,-0.2 540,-0.2 538,-0.0 -0.457 35.9 149.5 -66.3 127.6 -22.0 -2.7 -9.3 41 41 A R E -I 579 0C 32 538,-1.9 538,-2.1 -2,-0.2 541,-0.3 -0.974 49.2 -69.0-154.3 159.4 -19.5 -4.2 -6.7 42 42 A P E +I 578 0C 2 0, 0.0 536,-0.3 0, 0.0 3,-0.1 -0.312 33.9 178.5 -60.4 141.2 -15.9 -5.5 -6.5 43 43 A A E - 0 0 11 534,-3.2 1137,-0.4 1,-0.4 2,-0.3 0.715 67.4 -18.4-105.7 -39.0 -15.0 -8.8 -8.3 44 44 A W E -I 577 0C 4 533,-1.3 533,-2.2 1135,-0.1 -1,-0.4 -0.961 57.6-152.8-164.8 163.9 -11.1 -9.0 -7.5 45 45 A T E -I 576 0C 11 1135,-1.2 2,-0.3 -2,-0.3 531,-0.2 -0.931 1.9-162.3-141.3 163.2 -8.1 -6.7 -6.4 46 46 A F E -I 575 0C 5 529,-2.0 529,-2.2 -2,-0.3 2,-0.3 -0.893 11.3-146.5-151.6 118.7 -4.2 -6.5 -6.7 47 47 A S E -I 574 0C 6 1135,-2.5 527,-0.3 -2,-0.3 1192,-0.2 -0.660 7.1-150.1 -81.4 137.0 -1.6 -4.5 -4.7 48 48 A T - 0 0 1 525,-1.5 1192,-0.2 -2,-0.3 526,-0.2 0.637 34.1-121.5 -81.2 -13.8 1.6 -3.2 -6.5 49 49 A G S S+ 0 0 8 1191,-0.7 2,-0.3 524,-0.6 1191,-0.1 0.563 80.4 91.8 88.9 -0.3 4.0 -3.4 -3.5 50 50 A L - 0 0 36 1190,-0.2 -1,-0.3 523,-0.2 -2,-0.2 -0.898 58.8-148.8-129.7 157.2 4.8 0.5 -3.7 51 51 A L + 0 0 30 -2,-0.3 19,-0.3 -3,-0.1 668,-0.0 -0.161 55.7 74.1-105.2-158.2 3.5 3.8 -2.2 52 52 A N S S- 0 0 31 -2,-0.1 520,-0.3 485,-0.1 18,-0.1 0.039 95.9 -28.3 66.2 176.1 3.5 7.4 -3.9 53 53 A G - 0 0 0 1,-0.1 2,-0.6 16,-0.1 55,-0.2 -0.324 48.8-154.7 -69.7 137.7 1.1 8.4 -6.7 54 54 A H + 0 0 2 482,-2.0 463,-0.6 53,-0.1 464,-0.2 -0.862 25.1 175.7-111.3 93.1 -0.4 5.8 -9.2 55 55 A E + 0 0 5 -2,-0.6 463,-0.3 53,-0.4 13,-0.1 -0.276 39.3 25.4 -95.0 176.8 -1.3 7.6 -12.5 56 56 A G S S- 0 0 2 461,-0.4 463,-0.4 -2,-0.1 478,-0.3 -0.327 81.9 -94.7 68.2-155.5 -2.6 6.4 -15.9 57 57 A A - 0 0 8 52,-0.3 54,-0.4 461,-0.2 476,-0.1 -0.963 35.9 -88.4-154.3 157.8 -4.7 3.1 -16.3 58 58 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.224 33.1-128.7 -65.8 161.2 -4.0 -0.7 -17.2 59 59 A L E - B 0 66A 4 7,-1.8 7,-2.5 -44,-0.1 2,-0.4 -0.825 15.6-161.0-100.6 149.5 -3.9 -2.2 -20.7 60 60 A V E +AB 14 65A 0 -46,-2.0 -46,-2.8 -2,-0.3 2,-0.3 -0.990 21.6 154.6-130.0 123.3 -5.9 -5.4 -21.7 61 61 A V E > - B 0 64A 5 3,-1.9 3,-1.4 -2,-0.4 -48,-0.1 -0.983 64.2 -6.7-146.2 134.4 -5.0 -7.5 -24.8 62 62 A D T 3 S- 0 0 132 -2,-0.3 3,-0.1 1,-0.3 -49,-0.1 0.834 128.7 -47.2 54.2 41.2 -5.6 -11.2 -25.7 63 63 A G T 3 S+ 0 0 31 -51,-0.3 17,-2.4 1,-0.2 18,-0.4 0.613 117.1 102.9 81.1 10.6 -7.0 -12.3 -22.3 64 64 A K E < -BC 61 79A 54 -3,-1.4 -3,-1.9 15,-0.2 2,-0.4 -0.955 58.6-142.6-127.3 146.0 -4.2 -10.6 -20.2 65 65 A M E -BC 60 78A 0 13,-2.3 13,-2.4 -2,-0.3 2,-0.5 -0.923 12.3-154.5-105.6 134.4 -4.0 -7.3 -18.0 66 66 A Y E -BC 59 77A 9 -7,-2.5 -7,-1.8 -2,-0.4 2,-0.3 -0.949 14.5-167.9-110.2 121.1 -0.7 -5.3 -18.0 67 67 A I E - C 0 76A 0 9,-2.4 9,-2.1 -2,-0.5 2,-0.3 -0.888 4.7-168.0-115.4 139.8 -0.1 -3.1 -14.8 68 68 A H E - C 0 75A 9 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.876 7.1-159.5-128.4 160.2 2.6 -0.3 -14.1 69 69 A T - 0 0 3 5,-1.0 41,-0.1 -2,-0.3 -16,-0.1 -0.625 25.6 -84.6-128.3 177.1 3.7 1.6 -10.9 70 70 A S S >> S- 0 0 0 -19,-0.3 3,-2.4 1,-0.2 4,-0.6 -0.187 84.3 -12.5 -66.1 175.9 5.4 4.7 -9.3 71 71 A F T 34 S+ 0 0 10 35,-2.2 -1,-0.2 1,-0.3 35,-0.1 -0.293 128.1 40.9 -48.4 136.4 9.3 4.8 -9.1 72 72 A P T 34 S- 0 0 36 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.863 103.4-131.6 -85.6 30.1 11.3 2.4 -9.5 73 73 A N T <4 - 0 0 7 -3,-2.4 -2,-0.2 1,-0.1 2,-0.1 0.957 31.1-174.8 68.5 58.2 8.8 1.7 -12.4 74 74 A N < - 0 0 11 -4,-0.6 -5,-1.0 17,-0.1 2,-0.3 -0.502 10.9-149.5 -81.2 154.5 7.9 -2.1 -12.1 75 75 A T E -CD 68 90A 1 15,-1.9 15,-2.2 -7,-0.2 2,-0.3 -0.992 11.4-171.8-124.7 136.2 5.7 -3.9 -14.7 76 76 A F E -CD 67 89A 0 -9,-2.1 -9,-2.4 -2,-0.3 2,-0.4 -0.973 10.2-155.6-125.4 142.4 3.3 -7.0 -14.0 77 77 A A E -CD 66 88A 0 11,-1.8 10,-2.0 -2,-0.3 11,-0.9 -0.988 14.8-172.9-115.8 127.3 1.3 -9.3 -16.4 78 78 A L E -CD 65 86A 0 -13,-2.4 -13,-2.3 -2,-0.4 2,-0.4 -0.960 22.3-130.6-120.5 134.2 -1.8 -11.2 -15.1 79 79 A G E > -C 64 0A 18 6,-0.7 3,-1.6 3,-0.4 -15,-0.2 -0.718 17.7-139.1 -77.4 127.4 -4.0 -13.9 -16.8 80 80 A L T 3 S+ 0 0 10 -17,-2.4 -1,-0.1 -2,-0.4 -16,-0.1 0.774 99.8 57.7 -69.2 -24.0 -7.8 -13.0 -16.6 81 81 A D T 3 S+ 0 0 92 -18,-0.4 -1,-0.3 1,-0.2 -17,-0.1 0.672 129.0 12.1 -73.5 -13.2 -9.0 -16.6 -15.9 82 82 A D X + 0 0 48 -3,-1.6 3,-1.9 3,-0.1 -3,-0.4 -0.384 66.9 172.3-159.8 68.6 -6.7 -16.7 -12.7 83 83 A P T 3 S+ 0 0 2 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.641 70.7 78.0 -70.3 -8.0 -5.3 -13.2 -11.7 84 84 A G T 3 S+ 0 0 4 -5,-0.1 2,-0.6 -6,-0.1 508,-0.0 0.737 82.6 75.7 -67.2 -22.0 -3.8 -14.6 -8.4 85 85 A T S < S- 0 0 46 -3,-1.9 2,-0.7 -6,-0.2 -6,-0.7 -0.818 79.6-143.6 -89.3 121.9 -0.9 -16.1 -10.5 86 86 A I E -D 78 0A 11 1150,-2.6 -8,-0.2 -2,-0.6 3,-0.1 -0.754 9.7-162.8 -81.8 112.3 1.7 -13.4 -11.7 87 87 A L E - 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