==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-DEC-99 1DLU . COMPND 2 MOLECULE: BIOSYNTHETIC THIOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOOGLOEA RAMIGERA; . AUTHOR Y.MODIS,R.K.WIERENGA . 1556 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1145 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 246 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 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-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 . 3 0.2 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 . 93 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 177 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 447 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 2.4 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 4 4 4 4 3 1 0 4 8 0 4 0 8 0 0 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 4 8 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 12 10 0 0 0 4 10 2 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 . 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 4 A S 0 0 98 0, 0.0 257,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -29.7 31.0 -4.3 -16.0 2 5 A I E -A 257 0A 8 270,-0.4 270,-3.1 255,-0.3 2,-0.2 -0.972 360.0-174.7-136.6 123.4 31.7 -3.9 -12.2 3 6 A V E -AB 256 271A 0 253,-2.8 253,-1.5 -2,-0.5 2,-0.9 -0.674 32.1-123.4-116.6 161.0 34.8 -5.4 -10.7 4 7 A I E -AB 255 270A 0 266,-2.2 265,-2.4 -2,-0.2 266,-0.9 -0.896 27.3-176.1 -99.2 102.6 36.3 -5.8 -7.3 5 8 A A E - 0 0 8 249,-1.3 2,-0.3 -2,-0.9 -1,-0.1 0.819 64.6 -14.4 -69.2 -23.6 39.7 -4.2 -7.8 6 9 A S E -A 254 0A 6 248,-0.9 248,-2.1 -3,-0.1 2,-0.3 -0.997 59.4-166.7-171.8 158.2 41.0 -5.0 -4.3 7 10 A A E +A 253 0A 1 -2,-0.3 2,-0.2 246,-0.2 246,-0.2 -0.975 4.8 178.6-152.9 164.3 39.8 -6.3 -0.8 8 11 A A E -A 252 0A 0 244,-1.6 244,-2.0 -2,-0.3 2,-0.3 -0.976 3.9-171.9-168.4 148.5 41.1 -6.6 2.8 9 12 A R E -Ac 251 196A 0 186,-2.8 188,-1.8 -2,-0.2 242,-0.2 -0.992 25.4-119.3-143.4 152.0 39.8 -7.9 6.1 10 13 A T - 0 0 1 240,-2.0 201,-0.1 -2,-0.3 203,-0.0 -0.194 48.7 -82.3 -76.8 171.8 41.1 -7.7 9.6 11 14 A A - 0 0 0 199,-0.4 2,-0.6 186,-0.3 239,-0.2 -0.394 53.3-108.9 -60.3 148.6 41.9 -10.9 11.5 12 15 A V - 0 0 1 237,-0.1 202,-1.0 -3,-0.1 203,-0.6 -0.853 37.8-140.1 -88.7 129.0 38.6 -12.1 13.0 13 16 A G E -D 248 0A 0 235,-3.6 235,-1.6 -2,-0.6 3,-0.1 -0.550 9.7-114.9 -89.0 151.6 38.7 -11.7 16.9 14 17 A S E > -D 247 0A 26 -2,-0.2 3,-2.3 233,-0.2 5,-0.4 -0.285 52.8 -78.7 -75.3 153.2 37.4 -13.9 19.7 15 18 A F T 3 S- 0 0 47 231,-0.5 -1,-0.1 1,-0.3 5,-0.1 -0.413 120.1 -4.4 -49.2 123.4 34.5 -12.7 21.8 16 19 A N T 3 S+ 0 0 46 3,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.813 118.7 118.6 50.9 37.4 35.9 -10.2 24.3 17 20 A G S X S- 0 0 26 -3,-2.3 3,-1.9 3,-0.1 4,-0.2 0.254 81.3 -22.9-105.4-129.9 39.3 -11.2 22.8 18 21 A A T 3 S+ 0 0 33 1,-0.3 3,-0.2 2,-0.1 -3,-0.1 0.779 145.5 35.9 -56.4 -36.1 41.9 -9.1 21.0 19 22 A F T > S+ 0 0 0 -5,-0.4 3,-3.0 1,-0.1 -1,-0.3 0.182 75.3 132.3-107.9 21.8 39.3 -6.5 20.0 20 23 A A T < S+ 0 0 18 -3,-1.9 -1,-0.1 1,-0.3 -4,-0.1 0.832 86.4 26.2 -40.6 -37.6 37.3 -6.7 23.2 21 24 A N T 3 S+ 0 0 118 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.114 93.6 110.5-122.3 33.5 37.3 -2.8 23.5 22 25 A T < - 0 0 8 -3,-3.0 96,-0.2 179,-0.0 95,-0.1 -0.866 65.2-129.8-113.7 115.4 37.7 -1.7 19.8 23 26 A P >> - 0 0 27 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.178 23.2-115.7 -54.0 146.8 34.7 0.0 18.3 24 27 A A H >> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-0.7 0.891 112.0 63.2 -60.8 -36.7 33.7 -1.4 14.9 25 28 A H H 3> S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.708 96.6 58.3 -61.1 -30.7 34.5 1.8 13.1 26 29 A E H <> S+ 0 0 60 -3,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.906 109.7 43.3 -68.4 -36.2 38.1 1.6 14.0 27 30 A L H S+ 0 0 8 -4,-1.9 5,-2.3 2,-0.2 4,-1.3 0.958 114.1 47.1 -65.3 -50.1 42.7 1.9 -1.2 37 40 A E H ><5S+ 0 0 153 -4,-2.3 3,-0.5 -5,-0.3 -2,-0.2 0.920 111.0 53.6 -59.8 -42.9 46.4 1.1 -0.6 38 41 A R H 3<5S+ 0 0 92 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.800 114.5 37.8 -76.5 -25.4 45.9 -2.3 -2.3 39 42 A A H 3<5S- 0 0 12 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.522 109.3-112.8-101.6 9.3 44.4 -1.0 -5.5 40 43 A G T <<5S+ 0 0 68 -4,-1.3 2,-0.5 -3,-0.5 -3,-0.2 0.709 73.2 138.7 66.6 31.7 46.6 2.3 -5.9 41 44 A V < - 0 0 7 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.3 -0.833 48.1-134.9-106.0 126.5 43.5 4.4 -5.2 42 45 A A >> - 0 0 50 -2,-0.5 3,-2.0 1,-0.1 4,-0.5 -0.505 19.0-117.3 -83.0 156.8 43.6 7.4 -3.1 43 46 A A G >4 S+ 0 0 26 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.908 111.2 64.7 -60.8 -25.1 41.1 8.3 -0.3 44 47 A G G 34 S+ 0 0 63 1,-0.3 -1,-0.3 29,-0.2 29,-0.1 0.688 95.8 60.5 -70.9 -4.5 40.1 11.6 -2.2 45 48 A E G <4 S+ 0 0 73 -3,-2.0 -1,-0.3 61,-0.0 2,-0.2 0.622 77.8 110.2-100.1 -4.5 38.7 9.4 -5.1 46 49 A V << - 0 0 4 -3,-1.8 62,-0.2 -4,-0.5 3,-0.1 -0.553 42.1-176.2 -77.7 127.9 36.1 7.7 -2.9 47 50 A N - 0 0 67 60,-2.2 31,-1.6 1,-0.3 2,-0.3 0.846 66.6 -3.9 -88.9 -38.5 32.4 8.6 -3.7 48 51 A E E -ef 78 108A 6 59,-1.1 61,-1.7 29,-0.3 2,-0.5 -0.996 51.3-143.1-168.6 143.4 30.8 6.6 -0.9 49 52 A V E -ef 79 109A 0 29,-1.7 31,-2.0 -2,-0.3 2,-0.5 -0.984 16.8-172.3-104.5 119.7 31.3 4.1 1.9 50 53 A I E +ef 80 110A 0 59,-2.5 61,-2.0 -2,-0.5 2,-0.4 -0.968 8.3 178.2-121.6 112.1 28.7 1.3 2.5 51 54 A L E -ef 81 111A 2 29,-2.0 31,-0.8 -2,-0.5 61,-0.3 -0.916 22.3-144.1-124.6 121.5 29.1 -0.8 5.6 52 55 A G E +ef 82 112A 0 59,-2.1 61,-2.8 -2,-0.4 2,-0.3 -0.302 32.6 161.6 -70.5 144.0 26.8 -3.5 6.8 53 56 A Q - 0 0 14 29,-2.2 61,-0.1 59,-0.2 32,-0.1 -0.902 24.6-172.5-168.6 124.0 26.6 -3.5 10.6 54 57 A V S S+ 0 0 10 59,-0.3 3,-0.1 -2,-0.3 398,-0.1 0.885 79.9 40.2 -97.3 -27.1 24.0 -5.1 12.8 55 58 A L + 0 0 11 1,-0.1 60,-0.2 2,-0.0 -1,-0.2 -0.447 57.0 139.0-129.1 80.1 24.9 -3.8 16.3 56 59 A P > + 0 0 36 0, 0.0 3,-2.5 0, 0.0 4,-0.4 0.451 26.5 144.0 -94.7 1.5 26.0 -0.2 16.3 57 60 A A T 3 S+ 0 0 14 1,-0.3 388,-0.0 -3,-0.1 -2,-0.0 -0.052 74.6 6.4 -50.5 127.2 24.1 0.7 19.5 58 61 A G T 3 S+ 0 0 23 471,-0.2 -1,-0.3 61,-0.1 3,-0.1 0.299 97.9 103.5 85.7 -13.1 26.2 3.2 21.5 59 62 A E S < S- 0 0 33 -3,-2.5 -2,-0.1 1,-0.2 2,-0.1 0.619 84.9-117.7 -73.6 -16.1 28.9 3.9 19.0 60 63 A G - 0 0 5 -4,-0.4 473,-0.3 469,-0.1 -1,-0.2 -0.389 58.3 -8.7 112.0-174.9 27.4 7.2 17.9 61 64 A Q S S- 0 0 7 475,-0.7 5,-0.2 471,-0.7 473,-0.1 -0.322 118.6 -28.1 -60.5 128.5 26.0 8.7 14.8 62 65 A N >> - 0 0 2 471,-0.4 4,-1.6 1,-0.1 3,-1.4 0.804 58.4-158.5 31.3 76.1 26.4 6.6 11.7 63 66 A P H 3> S+ 0 0 4 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.847 89.6 67.6 -54.4 -24.2 29.7 4.5 12.3 64 67 A A H 3> S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.960 104.2 44.2 -62.1 -38.1 30.0 4.0 8.5 65 68 A R H <> S+ 0 0 6 -3,-1.4 4,-2.5 2,-0.2 -1,-0.3 0.906 110.5 53.0 -72.1 -41.4 30.7 7.7 8.3 66 69 A Q H X S+ 0 0 16 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.953 110.3 49.4 -61.2 -38.6 33.1 7.6 11.3 67 70 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.965 112.9 46.9 -61.4 -44.1 35.1 4.8 9.6 68 71 A A H <>S+ 0 0 2 -4,-2.3 5,-2.6 -5,-0.3 4,-0.3 0.933 112.7 47.3 -67.6 -41.4 35.3 6.8 6.4 69 72 A M H ><5S+ 0 0 51 -4,-2.5 3,-1.1 3,-0.2 -1,-0.2 0.897 111.3 52.8 -65.4 -35.5 36.3 10.0 8.0 70 73 A K H 3<5S+ 0 0 121 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.912 106.1 53.0 -71.3 -37.6 38.9 8.1 10.0 71 74 A A T 3<5S- 0 0 16 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.503 122.3-107.0 -74.0 -5.0 40.4 6.6 6.9 72 75 A G T < 5 + 0 0 46 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.516 62.0 159.2 91.4 6.4 40.7 10.1 5.4 73 76 A V < - 0 0 5 -5,-2.6 -1,-0.3 -6,-0.2 -29,-0.2 -0.356 53.1 -99.2 -60.3 134.5 37.8 9.8 2.8 74 77 A P > - 0 0 33 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.171 19.6-118.9 -59.0 158.7 36.9 13.5 2.0 75 78 A Q T 3 S+ 0 0 60 1,-0.3 595,-0.2 -3,-0.1 -2,-0.1 0.786 112.6 70.8 -74.2 -9.0 34.0 15.1 3.8 76 79 A E T 3 S+ 0 0 111 593,-0.1 593,-2.7 592,-0.1 -1,-0.3 0.745 88.0 77.4 -74.2 -30.6 32.6 15.6 0.3 77 80 A A S < S- 0 0 6 -3,-1.3 2,-0.3 591,-0.2 -29,-0.3 -0.180 76.8-131.7 -74.7 168.9 31.9 11.8 0.0 78 81 A T E -e 48 0A 4 -31,-1.6 -29,-1.7 591,-0.1 2,-0.3 -0.778 18.1-171.9-126.8 177.8 29.1 10.0 1.7 79 82 A A E +e 49 0A 0 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.963 5.2 173.5-163.3 149.3 28.6 6.9 3.9 80 83 A W E -e 50 0A 0 -31,-2.0 -29,-2.0 -2,-0.3 394,-0.2 -0.972 21.9-132.9-155.7 159.6 25.8 4.7 5.3 81 84 A G E -eG 51 473A 8 392,-1.8 392,-2.9 -2,-0.3 2,-0.3 -0.584 22.6-171.7-109.7 161.1 25.3 1.5 7.2 82 85 A M E -eG 52 472A 2 -31,-0.8 -29,-2.2 390,-0.3 2,-0.4 -0.977 10.2-146.8-151.2 165.5 22.7 -1.2 6.4 83 86 A N E + G 0 471A 25 388,-3.4 388,-2.2 -2,-0.3 3,-0.1 -0.864 38.0 145.8-147.3 111.8 21.4 -4.3 7.9 84 87 A Q > - 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