==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-NOV-99 1DD2 . COMPND 2 MOLECULE: TRANSCARBOXYLASE 1.3S SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM FREUDENREICHII . AUTHOR D.V.REDDY,B.C.SHENOY,P.R.CAREY,F.D.SONNICHSEN . 77 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 48 62.3 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 . 27 35.1 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 1.3 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 2.6 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 . 10 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 5.2 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+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 . 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 47 A A 0 0 166 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.5 17.5 14.6 -5.6 2 48 A G - 0 0 84 3,-0.0 2,-0.3 0, 0.0 3,-0.1 0.085 360.0-177.6 143.3 100.1 16.2 11.3 -4.3 3 49 A A + 0 0 108 1,-0.1 3,-0.1 68,-0.0 68,-0.1 -0.833 47.9 74.8-117.6 156.3 13.3 9.2 -5.6 4 50 A G S S+ 0 0 54 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.774 74.9 88.0 110.0 51.7 11.8 6.0 -4.4 5 51 A K - 0 0 158 -3,-0.1 -1,-0.4 66,-0.1 66,-0.3 -0.950 66.0-115.2-171.0 151.7 9.8 6.8 -1.2 6 52 A A + 0 0 13 64,-2.9 5,-0.1 -2,-0.3 69,-0.0 -0.388 59.2 109.6 -88.8 169.7 6.4 8.0 -0.1 7 53 A G + 0 0 68 3,-0.4 2,-1.0 -2,-0.1 -1,-0.1 0.010 58.0 86.2 154.2 -33.0 5.5 11.2 1.7 8 54 A E S S- 0 0 166 -3,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.314 129.5 -60.2 -90.3 52.3 3.6 13.3 -0.9 9 55 A G S S+ 0 0 38 -2,-1.0 67,-2.0 1,-0.3 2,-0.2 0.108 108.8 122.6 94.6 -22.5 0.3 11.7 0.1 10 56 A E E -A 75 0A 47 65,-0.2 -3,-0.4 -5,-0.1 -1,-0.3 -0.528 67.9-120.4 -76.5 139.1 1.5 8.2 -0.8 11 57 A I E - 0 0 10 63,-3.3 62,-3.1 -2,-0.2 63,-0.5 -0.693 28.2-137.3 -81.7 111.4 1.4 5.5 1.9 12 58 A P E -A 72 0A 64 0, 0.0 60,-0.2 0, 0.0 59,-0.2 -0.463 19.2-116.5 -71.5 137.0 5.0 4.3 2.5 13 59 A A - 0 0 7 58,-1.5 57,-1.0 55,-0.4 -7,-0.1 -0.417 10.8-135.1 -72.2 147.2 5.5 0.5 2.9 14 60 A P S S- 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.767 80.3 -19.5 -72.9 -25.9 6.8 -0.8 6.3 15 61 A L S S- 0 0 70 53,-0.1 2,-1.0 56,-0.1 55,-0.2 -0.957 88.9 -61.4-166.0 179.3 9.2 -3.1 4.6 16 62 A A + 0 0 74 -2,-0.3 2,-0.3 53,-0.1 26,-0.2 -0.654 69.1 150.6 -80.3 102.7 10.0 -5.0 1.4 17 63 A G - 0 0 4 -2,-1.0 50,-2.4 50,-0.4 2,-0.4 -0.793 44.7-108.2-127.9 171.1 7.0 -7.3 0.7 18 64 A T E -CD 40 66B 62 22,-0.9 22,-3.7 -2,-0.3 2,-0.4 -0.859 32.4-115.8-105.4 135.3 5.2 -8.8 -2.2 19 65 A V E +C 39 0B 1 46,-3.2 45,-1.8 -2,-0.4 46,-0.4 -0.523 39.3 166.4 -69.9 122.1 1.7 -7.6 -3.3 20 66 A S E - 0 0 27 18,-2.5 2,-0.3 -2,-0.4 -1,-0.2 0.845 62.4 -11.3-101.0 -54.4 -0.8 -10.4 -2.9 21 67 A K E -C 38 0B 112 17,-0.9 17,-2.7 42,-0.1 2,-0.4 -0.996 57.6-134.8-151.7 145.9 -4.2 -8.8 -3.2 22 68 A I E +C 37 0B 42 -2,-0.3 15,-0.2 15,-0.2 41,-0.0 -0.865 16.9 177.7-105.4 133.7 -5.6 -5.2 -3.3 23 69 A L + 0 0 76 13,-1.9 2,-0.2 -2,-0.4 14,-0.2 0.830 66.6 58.8 -98.1 -44.8 -8.6 -4.3 -1.3 24 70 A V - 0 0 11 12,-1.9 2,-0.3 4,-0.0 12,-0.1 -0.591 66.5-169.4 -88.7 150.5 -8.9 -0.6 -2.1 25 71 A K > - 0 0 122 -2,-0.2 3,-2.3 31,-0.0 2,-1.0 -0.919 40.8 -77.0-136.1 161.4 -9.3 0.8 -5.6 26 72 A E T 3 S+ 0 0 135 -2,-0.3 31,-0.2 1,-0.3 3,-0.1 -0.411 123.4 29.2 -61.2 98.6 -9.2 4.2 -7.4 27 73 A G T 3 S+ 0 0 41 29,-1.1 -1,-0.3 -2,-1.0 2,-0.2 -0.010 94.8 102.8 140.1 -30.0 -12.6 5.5 -6.4 28 74 A D < - 0 0 71 -3,-2.3 28,-2.2 28,-0.1 -1,-0.6 -0.562 67.2-125.9 -84.5 148.0 -13.2 3.9 -3.0 29 75 A T E -F 55 0C 94 26,-0.2 2,-0.3 -2,-0.2 26,-0.3 -0.727 24.3-161.7 -95.2 142.2 -12.8 5.8 0.2 30 76 A V E -F 54 0C 2 24,-2.7 24,-2.2 -2,-0.3 2,-0.3 -0.795 7.7-137.9-120.2 163.7 -10.6 4.4 3.0 31 77 A K > - 0 0 143 -2,-0.3 3,-1.8 22,-0.2 2,-1.3 -0.925 36.6 -93.0-123.0 147.5 -10.2 5.1 6.7 32 78 A A T 3 S+ 0 0 57 -2,-0.3 21,-0.2 1,-0.3 3,-0.1 -0.368 119.9 20.4 -59.1 92.9 -7.1 5.5 8.9 33 79 A G T 3 S+ 0 0 37 -2,-1.3 -1,-0.3 1,-0.5 3,-0.1 -0.085 92.2 118.0 138.2 -35.4 -6.8 1.9 10.0 34 80 A Q S < S- 0 0 109 -3,-1.8 16,-2.3 15,-0.1 -1,-0.5 -0.321 74.7-100.3 -63.4 143.5 -8.8 0.0 7.4 35 81 A T E + E 0 49B 39 14,-0.2 14,-0.3 1,-0.1 -1,-0.1 -0.409 41.0 173.5 -66.9 137.2 -6.8 -2.5 5.4 36 82 A V E - 0 0 1 12,-3.9 -12,-1.9 1,-0.4 -13,-1.9 0.652 63.8 -2.4-115.2 -30.2 -5.9 -1.2 1.9 37 83 A L E -CE 22 48B 2 11,-1.1 11,-1.9 -15,-0.2 2,-0.5 -0.977 61.7-123.4-163.3 150.1 -3.7 -4.0 0.6 38 84 A V E -CE 21 47B 13 -17,-2.7 -18,-2.5 -2,-0.3 -17,-0.9 -0.852 24.7-165.2-102.1 130.6 -2.1 -7.4 1.6 39 85 A L E -CE 19 46B 2 7,-3.1 7,-3.2 -2,-0.5 2,-1.1 -0.954 13.8-149.5-119.1 132.2 1.6 -7.8 1.5 40 86 A E E +CE 18 45B 70 -22,-3.7 -22,-0.9 -2,-0.4 2,-0.6 -0.737 24.7 175.1-100.4 86.9 3.5 -11.1 1.6 41 87 A A S S- 0 0 5 3,-1.6 -24,-0.1 -2,-1.1 -2,-0.1 -0.832 72.2 -8.5 -96.9 117.8 6.8 -10.3 3.3 42 88 A M S S- 0 0 159 -2,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.980 130.4 -55.4 61.5 56.1 9.0 -13.3 4.0 43 89 A K S S+ 0 0 200 -3,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.832 115.5 121.2 43.8 40.2 6.2 -15.8 3.1 44 90 A M - 0 0 106 2,-0.0 -3,-1.6 -5,-0.0 2,-0.5 -0.988 67.0-124.6-136.2 125.9 4.0 -14.0 5.6 45 91 A E E -E 40 0B 120 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.539 31.6-171.7 -70.8 119.2 0.7 -12.3 5.0 46 92 A T E -E 39 0B 33 -7,-3.2 -7,-3.1 -2,-0.5 2,-0.4 -0.957 16.8-136.6-118.5 127.7 0.9 -8.7 6.3 47 93 A E E -E 38 0B 118 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.667 13.6-149.9 -84.1 130.8 -2.1 -6.4 6.5 48 94 A I E -E 37 0B 11 -11,-1.9 -12,-3.9 -2,-0.4 -11,-1.1 -0.888 12.8-166.4-104.9 116.2 -1.6 -2.9 5.2 49 95 A N E -E 35 0B 80 -2,-0.6 -14,-0.2 -14,-0.3 -15,-0.1 -0.795 28.3-104.0-103.0 143.7 -3.7 -0.2 6.9 50 96 A A - 0 0 5 -16,-2.3 -17,-0.4 -19,-0.5 3,-0.1 -0.324 20.5-140.3 -62.6 143.3 -4.2 3.3 5.7 51 97 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.870 80.7 3.5 -73.2 -37.6 -2.2 6.0 7.6 52 98 A T S S- 0 0 81 -21,-0.1 -19,-0.2 -20,-0.0 -22,-0.1 -0.959 89.0 -83.3-145.8 162.2 -5.0 8.5 7.5 53 99 A D S S+ 0 0 118 -2,-0.3 2,-0.3 -21,-0.2 -22,-0.2 -0.389 73.6 97.0 -67.8 142.3 -8.6 8.9 6.3 54 100 A G E -F 30 0C 9 -24,-2.2 -24,-2.7 -2,-0.1 2,-0.3 -0.966 65.7 -72.0 171.6-157.3 -9.1 9.7 2.6 55 101 A K E -F 29 0C 98 -2,-0.3 22,-2.1 -26,-0.3 2,-0.9 -0.975 39.4-107.3-133.9 147.2 -9.7 8.2 -0.8 56 102 A V E +B 76 0A 1 -28,-2.2 -29,-1.1 -31,-0.3 20,-0.2 -0.608 41.3 164.5 -75.3 107.3 -7.7 6.1 -3.2 57 103 A E E S+ 0 0 76 18,-1.9 2,-0.3 -2,-0.9 -1,-0.2 0.741 70.7 7.1 -93.4 -28.0 -6.8 8.5 -6.1 58 104 A K E -B 75 0A 116 17,-1.0 17,-2.8 -33,-0.1 2,-0.8 -0.933 64.2-140.9-158.6 130.9 -4.0 6.3 -7.5 59 105 A V E -B 74 0A 47 -2,-0.3 15,-0.2 15,-0.2 14,-0.0 -0.830 12.3-174.8 -98.0 109.4 -2.8 2.7 -6.7 60 106 A L + 0 0 62 13,-1.1 2,-0.3 -2,-0.8 14,-0.2 -0.013 67.2 63.8 -90.3 30.4 1.0 2.5 -6.9 61 107 A V - 0 0 3 6,-0.0 2,-0.3 -42,-0.0 12,-0.0 -0.972 58.9-174.6-155.5 137.5 0.9 -1.3 -6.4 62 108 A K > - 0 0 151 -2,-0.3 3,-0.9 1,-0.1 -43,-0.2 -0.836 39.5 -77.0-128.9 167.0 -0.5 -4.2 -8.3 63 109 A E T 3 S+ 0 0 111 -2,-0.3 -43,-0.2 1,-0.3 3,-0.1 -0.276 116.0 19.5 -62.3 147.6 -0.8 -8.0 -7.7 64 110 A R T 3 S+ 0 0 182 -45,-1.8 2,-0.4 1,-0.2 -1,-0.3 0.834 99.9 129.6 60.7 32.3 2.3 -10.1 -8.2 65 111 A D < - 0 0 78 -3,-0.9 -46,-3.2 -46,-0.4 2,-0.4 -0.963 54.1-136.2-122.7 136.4 4.3 -6.9 -7.7 66 112 A A B -D 18 0B 63 -2,-0.4 2,-0.3 -48,-0.2 -48,-0.2 -0.729 19.8-162.8 -92.3 136.7 7.3 -6.4 -5.4 67 113 A V - 0 0 3 -50,-2.4 -50,-0.4 -2,-0.4 2,-0.3 -0.883 12.8-128.8-119.2 150.7 7.5 -3.2 -3.3 68 114 A Q > - 0 0 105 -2,-0.3 3,-1.7 -52,-0.2 -55,-0.4 -0.707 37.3 -92.1 -98.2 149.3 10.4 -1.6 -1.5 69 115 A G T 3 S+ 0 0 48 -2,-0.3 -53,-0.1 1,-0.3 3,-0.1 -0.408 115.9 13.9 -60.9 117.3 10.4 -0.4 2.1 70 116 A G T 3 S+ 0 0 11 -57,-1.0 -64,-2.9 1,-0.4 -1,-0.3 -0.012 93.8 131.7 105.8 -28.1 9.3 3.2 2.1 71 117 A Q S < S- 0 0 58 -3,-1.7 -58,-1.5 -66,-0.3 -1,-0.4 -0.301 71.9 -96.9 -59.6 138.3 8.1 3.2 -1.5 72 118 A G E +A 12 0A 8 -60,-0.2 -1,-0.1 1,-0.2 3,-0.1 -0.391 42.3 179.6 -60.7 121.4 4.7 4.7 -2.0 73 119 A L E - 0 0 2 -62,-3.1 -13,-1.1 1,-0.3 2,-0.3 0.906 65.9 -0.2 -88.9 -51.8 2.1 1.9 -2.0 74 120 A I E - B 0 59A 0 -63,-0.5 -63,-3.3 -15,-0.2 2,-0.5 -0.998 66.0-128.5-142.8 144.8 -1.1 3.9 -2.5 75 121 A K E -AB 10 58A 67 -17,-2.8 -18,-1.9 -2,-0.3 -17,-1.0 -0.816 24.2-159.7 -96.5 125.3 -1.9 7.6 -2.9 76 122 A I E B 0 56A 18 -67,-2.0 -20,-0.2 -2,-0.5 -23,-0.1 -0.821 360.0 360.0-106.1 143.9 -4.6 9.0 -0.5 77 123 A G 0 0 88 -22,-2.1 -1,-0.1 -2,-0.4 -21,-0.1 0.745 360.0 360.0-117.0 360.0 -6.6 12.2 -1.1