==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-AUG-01 1GJX . COMPND 2 MOLECULE: PYRUVATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR K.TOZAWA,R.W.BROADHURST,A.R.C.RAINE,C.FULLER,A.ALVAREZ, . 81 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 24.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1.2 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 . 4 4.9 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+3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 A 0 0 133 0, 0.0 76,-0.1 0, 0.0 77,-0.1 0.000 360.0 360.0 360.0 169.3 -13.8 3.2 -11.3 2 2 A L - 0 0 74 74,-1.5 2,-0.3 75,-0.5 74,-0.3 0.207 360.0-123.9 56.6 172.5 -11.9 1.3 -8.6 3 3 A V E -A 75 0A 47 72,-2.6 72,-2.6 48,-0.0 2,-0.4 -0.972 7.3-143.8-149.4 162.0 -8.3 2.2 -7.7 4 4 A E E -A 74 0A 122 -2,-0.3 70,-0.3 70,-0.3 67,-0.2 -0.924 22.4-141.1-134.4 106.9 -4.8 0.7 -7.5 5 5 A L - 0 0 18 68,-4.4 2,-0.3 -2,-0.4 66,-0.3 0.220 16.9-151.1 -51.9-176.0 -2.5 1.8 -4.7 6 6 A K - 0 0 127 65,-0.2 62,-0.1 64,-0.1 -1,-0.0 -0.950 26.7 -84.7-164.6 142.8 1.3 2.3 -5.2 7 7 A V - 0 0 10 60,-0.5 62,-0.7 -2,-0.3 64,-0.1 -0.149 51.2-123.8 -49.2 138.4 4.5 2.1 -3.2 8 8 A P - 0 0 13 0, 0.0 2,-1.2 0, 0.0 3,-0.2 0.134 37.3 -75.5 -72.7-167.1 5.2 5.4 -1.3 9 9 A D + 0 0 99 37,-0.3 -2,-0.0 1,-0.2 58,-0.0 -0.561 53.3 166.7 -94.7 69.1 8.2 7.6 -1.4 10 10 A I - 0 0 0 -2,-1.2 33,-0.8 3,-0.2 30,-0.5 0.719 52.1-119.9 -55.9 -19.6 10.6 5.4 0.6 11 11 A G S S+ 0 0 39 -3,-0.2 -1,-0.1 31,-0.1 33,-0.1 -0.369 94.6 66.9 111.6 -54.0 13.3 7.7 -0.7 12 12 A G S S- 0 0 25 31,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.974 89.7-125.7 -63.7 -87.7 15.6 5.3 -2.6 13 13 A H + 0 0 106 1,-0.3 55,-2.4 53,-0.2 2,-0.2 -0.370 64.2 11.3 175.1 -85.7 13.6 4.0 -5.5 14 14 A E S S+ 0 0 112 53,-0.3 -1,-0.3 1,-0.2 53,-0.2 -0.579 103.7 38.7-113.3 177.5 13.2 0.2 -6.1 15 15 A N S S+ 0 0 97 -2,-0.2 2,-0.5 1,-0.2 52,-0.2 0.946 72.5 160.0 44.7 69.8 13.7 -2.9 -4.1 16 16 A V E -C 66 0B 1 50,-3.1 50,-2.4 -3,-0.2 2,-0.4 -0.981 40.6-125.2-126.0 124.9 12.6 -1.5 -0.7 17 17 A D E -C 65 0B 98 -2,-0.5 22,-0.8 48,-0.3 48,-0.2 -0.520 28.3-127.5 -70.3 123.0 11.5 -3.7 2.2 18 18 A I E -D 38 0C 10 46,-2.0 20,-0.3 -2,-0.4 45,-0.2 -0.128 15.3-161.7 -62.1 164.3 8.1 -2.8 3.5 19 19 A I E + 0 0 68 18,-2.5 2,-0.3 1,-0.3 19,-0.2 0.505 68.0 27.4-126.5 -13.5 7.6 -2.0 7.2 20 20 A A E -D 37 0C 22 17,-1.0 17,-0.6 41,-0.3 2,-0.4 -0.993 54.0-174.2-153.1 144.7 3.9 -2.4 7.7 21 21 A V E +D 36 0C 45 -2,-0.3 15,-0.2 15,-0.2 41,-0.1 -0.958 17.3 155.4-145.1 122.9 1.0 -4.3 6.2 22 22 A E + 0 0 112 13,-1.1 2,-0.4 -2,-0.4 14,-0.1 -0.242 48.3 95.9-140.1 47.7 -2.7 -4.0 7.0 23 23 A V + 0 0 10 37,-0.1 37,-0.2 1,-0.1 12,-0.0 -0.962 24.1 157.5-144.7 123.4 -4.5 -5.2 3.8 24 24 A N - 0 0 130 -2,-0.4 34,-0.1 31,-0.0 -1,-0.1 0.101 65.4 -96.2-128.4 18.6 -5.9 -8.6 3.0 25 25 A V S S+ 0 0 56 32,-0.2 31,-0.2 2,-0.1 3,-0.1 0.827 105.7 58.5 65.4 112.2 -8.5 -7.7 0.4 26 26 A G S S+ 0 0 52 1,-0.5 2,-0.2 29,-0.2 30,-0.1 0.101 73.1 115.5 127.4 -21.3 -12.0 -7.3 1.7 27 27 A D - 0 0 117 1,-0.1 28,-1.3 27,-0.0 -1,-0.5 -0.526 69.1-107.9 -81.4 147.6 -11.5 -4.6 4.3 28 28 A T B -F 54 0D 107 -2,-0.2 2,-0.3 26,-0.2 26,-0.2 -0.324 34.4-163.0 -71.8 155.9 -13.2 -1.1 3.9 29 29 A I - 0 0 9 24,-1.9 24,-0.3 -2,-0.0 2,-0.2 -0.999 5.9-166.1-144.2 144.3 -11.1 1.9 3.0 30 30 A A - 0 0 44 -2,-0.3 2,-1.1 22,-0.2 21,-0.7 -0.597 43.9 -87.6-119.7-179.1 -11.5 5.7 3.2 31 31 A V S S+ 0 0 91 1,-0.2 18,-0.1 19,-0.2 21,-0.1 -0.254 118.8 34.5 -86.0 48.5 -9.8 8.8 1.8 32 32 A D S S+ 0 0 124 -2,-1.1 2,-0.3 19,-0.2 17,-0.3 0.038 78.2 119.8 163.6 73.9 -7.4 8.9 4.8 33 33 A D - 0 0 43 15,-3.3 -1,-0.1 -3,-0.3 2,-0.1 -0.865 62.6-112.9-155.3 115.5 -6.2 5.7 6.4 34 34 A T + 0 0 70 -2,-0.3 3,-0.1 14,-0.3 12,-0.0 -0.251 31.8 179.6 -50.7 117.3 -2.7 4.4 6.7 35 35 A L - 0 0 6 12,-4.4 -13,-1.1 1,-0.3 2,-0.3 0.871 61.4 -26.4 -87.6 -43.6 -2.4 1.4 4.4 36 36 A I E -DE 21 47C 2 11,-0.7 11,-1.7 -15,-0.2 2,-0.4 -0.936 50.7-123.9-158.1-180.0 1.2 0.6 5.1 37 37 A T E -DE 20 46C 32 -17,-0.6 -18,-2.5 -2,-0.3 -17,-1.0 -0.972 29.8-176.4-140.0 117.5 4.6 1.9 6.2 38 38 A L E +DE 18 45C 0 7,-1.5 7,-1.7 -2,-0.4 2,-0.3 -0.627 5.8 171.7-111.6 171.8 7.7 1.4 4.0 39 39 A E E + E 0 44C 84 -22,-0.8 5,-0.2 5,-0.3 -22,-0.1 -0.961 13.3 175.0-172.1 157.9 11.4 2.2 4.2 40 40 A T - 0 0 38 3,-1.1 -29,-0.1 -30,-0.5 -23,-0.1 0.362 69.1 -51.6-132.6 -89.6 14.7 1.7 2.5 41 41 A D S S+ 0 0 162 -31,-0.2 3,-0.1 2,-0.1 -30,-0.1 0.103 127.4 44.0-150.3 21.7 18.0 3.3 3.7 42 42 A K S S- 0 0 176 1,-0.5 2,-0.3 -32,-0.4 -31,-0.1 0.547 117.1 -19.3-134.7 -43.4 17.0 7.0 3.9 43 43 A A - 0 0 47 -33,-0.8 -3,-1.1 2,-0.0 2,-0.6 -0.978 59.3-103.1-163.1 169.5 13.6 7.3 5.5 44 44 A T E -E 39 0C 71 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.1 -0.913 39.7-177.9-108.5 115.9 10.4 5.5 6.5 45 45 A M E +E 38 0C 68 -7,-1.7 -7,-1.5 -2,-0.6 2,-0.3 -0.342 4.2 179.2-101.1-175.8 7.4 6.2 4.3 46 46 A D E -E 37 0C 73 -9,-0.3 -37,-0.3 -2,-0.1 -9,-0.3 -0.971 25.7-113.9-172.9 170.4 3.8 5.1 4.3 47 47 A V E -E 36 0C 14 -11,-1.7 -12,-4.4 -2,-0.3 -11,-0.7 -0.981 6.5-161.0-126.4 124.5 0.4 5.5 2.5 48 48 A P - 0 0 74 0, 0.0 -15,-3.3 0, 0.0 -14,-0.3 0.029 53.1-107.4 -88.7 27.0 -2.7 7.1 4.1 49 49 A A - 0 0 7 -17,-0.3 -16,-0.2 1,-0.1 -15,-0.1 0.461 25.3-145.3 59.7 150.1 -5.0 5.4 1.5 50 50 A E + 0 0 150 -18,-0.1 2,-0.3 -19,-0.1 -19,-0.2 -0.486 61.8 54.4-149.4 70.6 -6.7 7.3 -1.3 51 51 A V - 0 0 12 -21,-0.7 -19,-0.2 2,-0.1 25,-0.0 -0.970 64.6-123.9-178.3-178.8 -10.1 5.9 -2.1 52 52 A A S S+ 0 0 43 -2,-0.3 27,-1.1 -22,-0.1 26,-0.4 -0.421 74.0 52.3-148.3 67.8 -13.5 5.0 -0.6 53 53 A G S S- 0 0 8 -24,-0.3 -24,-1.9 24,-0.3 2,-0.4 -0.553 86.3 -46.7-159.5-134.8 -14.4 1.4 -1.2 54 54 A V B -F 28 0D 56 -26,-0.2 22,-1.9 -2,-0.2 -26,-0.2 -0.955 46.9-114.6-126.2 144.4 -13.2 -2.2 -0.8 55 55 A V B +B 75 0A 4 -28,-1.3 20,-0.3 -2,-0.4 -29,-0.2 -0.478 28.4 173.5 -76.6 146.0 -9.8 -3.8 -1.6 56 56 A K + 0 0 92 18,-4.0 2,-0.2 1,-0.2 19,-0.2 0.697 65.3 29.4-115.5 -46.9 -9.6 -6.4 -4.3 57 57 A E - 0 0 87 17,-0.8 2,-0.3 2,-0.0 -32,-0.2 -0.593 58.9-164.7-112.6 175.3 -5.9 -7.1 -4.7 58 58 A V + 0 0 37 15,-0.2 15,-0.3 -2,-0.2 2,-0.1 -0.819 13.9 170.4-165.4 119.7 -2.9 -6.9 -2.4 59 59 A K + 0 0 82 13,-1.3 2,-0.3 -2,-0.3 14,-0.1 -0.538 55.5 70.2-132.4 66.4 0.8 -6.9 -3.2 60 60 A V + 0 0 7 -37,-0.2 2,-0.2 -2,-0.1 -37,-0.1 -0.959 40.4 144.6-172.8 157.0 2.7 -6.0 0.0 61 61 A K - 0 0 108 -2,-0.3 2,-0.7 3,-0.1 -41,-0.3 -0.884 55.0 -59.7-171.0-159.9 3.6 -7.4 3.4 62 62 A V S S+ 0 0 96 -2,-0.2 -43,-0.1 1,-0.1 3,-0.1 -0.843 116.4 22.1-112.1 96.1 6.3 -7.4 6.1 63 63 A G S S+ 0 0 66 -2,-0.7 2,-0.2 1,-0.5 -1,-0.1 0.190 96.7 100.9 137.5 -15.7 9.6 -8.9 4.8 64 64 A D - 0 0 51 -48,-0.1 -46,-2.0 -3,-0.0 -1,-0.5 -0.552 67.6-116.6 -96.6 163.8 9.2 -8.4 1.0 65 65 A K E -C 17 0B 137 -48,-0.2 -48,-0.3 -2,-0.2 2,-0.3 -0.735 32.1-179.5-101.1 148.6 10.8 -5.7 -1.2 66 66 A I E -C 16 0B 25 -50,-2.4 -50,-3.1 -2,-0.3 2,-0.3 -0.840 16.3-138.1-138.1 174.8 8.9 -3.1 -3.2 67 67 A S - 0 0 46 -2,-0.3 -60,-0.5 -53,-0.2 -53,-0.3 -0.999 40.4 -84.5-143.0 138.3 9.4 -0.2 -5.5 68 68 A E S S+ 0 0 76 -55,-2.4 -59,-0.1 -2,-0.3 -53,-0.0 -0.086 114.7 8.3 -39.6 115.7 7.8 3.3 -5.9 69 69 A G S S+ 0 0 42 -62,-0.7 -1,-0.2 -61,-0.1 -63,-0.1 0.996 80.6 139.1 70.2 74.3 4.7 2.7 -7.9 70 70 A G S S- 0 0 42 -11,-0.1 -64,-0.1 0, 0.0 -2,-0.1 -0.011 71.1 -97.5-137.6 31.6 4.4 -1.0 -8.2 71 71 A L + 0 0 54 -66,-0.3 -65,-0.2 -67,-0.2 3,-0.1 0.932 52.7 171.5 49.1 95.4 0.7 -1.7 -7.8 72 72 A I + 0 0 3 1,-0.3 -13,-1.3 -67,-0.3 2,-0.4 0.883 58.3 0.9 -95.2 -74.9 0.2 -2.6 -4.2 73 73 A V - 0 0 0 -15,-0.3 -68,-4.4 -14,-0.1 2,-0.4 -0.969 61.0-150.8-125.0 136.9 -3.5 -2.9 -3.3 74 74 A V E -A 4 0A 20 -2,-0.4 -18,-4.0 -70,-0.3 -17,-0.8 -0.827 17.4-171.6-105.0 141.2 -6.5 -2.3 -5.6 75 75 A V E -AB 3 55A 0 -72,-2.6 -72,-2.6 -2,-0.4 -20,-0.3 -0.793 33.0-128.0-127.6 171.5 -9.9 -1.0 -4.3 76 76 A E - 0 0 69 -22,-1.9 -74,-1.5 -74,-0.3 -21,-0.1 0.853 44.2-166.4 -84.5 -39.4 -13.4 -0.5 -5.4 77 77 A A + 0 0 18 -76,-0.1 -75,-0.5 1,-0.1 -24,-0.3 0.636 64.7 17.6 57.1 138.0 -13.6 3.2 -4.3 78 78 A E S S+ 0 0 180 -26,-0.4 -25,-0.2 1,-0.1 2,-0.2 0.814 95.0 157.7 39.3 39.8 -16.9 5.1 -4.1 79 79 A G - 0 0 35 -27,-1.1 2,-0.3 -78,-0.0 -1,-0.1 -0.527 28.2-152.6 -92.1 160.5 -18.6 1.7 -4.1 80 80 A T 0 0 142 -2,-0.2 -1,-0.0 -3,-0.1 -27,-0.0 -0.813 360.0 360.0-127.3 168.0 -22.1 0.8 -2.8 81 81 A A 0 0 171 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.823 360.0 360.0-120.8 360.0 -23.8 -2.3 -1.4