==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-JAN-09 3FVE . COMPND 2 MOLECULE: DIAMINOPIMELATE EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR V.USHA,L.G.DOVER,D.I.ROPER,K.FUTTERER,G.S.BESRA . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 28.3 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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-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 . 33 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 0 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 PARALLEL BRIDGES PER LADDER . 4 0 0 5 2 0 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 . 0 0 0 1 0 0 0 0 0 0 0 0 1 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 0 A H 0 0 94 0, 0.0 2,-0.5 0, 0.0 276,-0.1 0.000 360.0 360.0 360.0 30.6 -3.9 91.4 -19.4 2 1 A M E -A 276 0A 17 274,-1.1 274,-3.2 2,-0.0 2,-0.1 -0.944 360.0-138.2-121.5 107.6 -6.1 88.4 -18.3 3 2 A I E +A 275 0A 93 -2,-0.5 2,-0.3 272,-0.2 272,-0.2 -0.379 32.2 159.8 -74.0 138.6 -6.7 88.4 -14.6 4 3 A F E -A 274 0A 24 270,-2.2 270,-2.2 13,-0.2 2,-0.3 -0.951 22.3-157.6-143.3 164.5 -6.6 85.1 -12.7 5 4 A A E -AB 273 16A 0 11,-1.6 11,-2.6 -2,-0.3 2,-0.5 -0.975 11.5-142.6-137.1 155.0 -6.1 83.7 -9.2 6 5 A K E +AB 272 15A 47 266,-2.4 265,-2.3 -2,-0.3 266,-1.5 -0.984 34.3 150.3-117.4 126.3 -5.0 80.2 -7.9 7 6 A G E -AB 270 14A 0 7,-2.5 7,-2.7 -2,-0.5 2,-0.3 -0.837 23.4-161.0-140.0 177.2 -6.6 78.8 -4.8 8 7 A H E -AB 269 13A 63 261,-2.1 261,-2.7 5,-0.3 5,-0.2 -0.977 6.2-157.2-156.2 155.9 -7.6 75.6 -3.0 9 8 A G S S- 0 0 9 3,-2.0 259,-0.1 -2,-0.3 -1,-0.0 0.288 74.2 -35.2 -99.1-125.5 -9.9 74.4 -0.3 10 9 A T S S- 0 0 23 257,-0.1 258,-0.1 241,-0.1 3,-0.1 0.924 130.1 -27.5 -63.4 -45.9 -9.4 71.2 1.6 11 10 A Q S S+ 0 0 88 1,-0.1 239,-0.1 210,-0.0 209,-0.1 0.560 113.6 88.6-139.7 -56.4 -8.0 69.3 -1.4 12 11 A N - 0 0 19 -4,-0.1 -3,-2.0 1,-0.1 2,-0.3 -0.237 58.2-151.4 -60.3 139.6 -9.3 70.6 -4.7 13 12 A D E -B 8 0A 18 -5,-0.2 31,-2.9 -3,-0.1 32,-1.0 -0.893 12.4-167.2-116.9 148.2 -7.5 73.5 -6.4 14 13 A F E -Bc 7 45A 5 -7,-2.7 -7,-2.5 -2,-0.3 2,-0.5 -0.962 22.3-141.0-137.4 144.0 -9.1 76.1 -8.7 15 14 A V E -Bc 6 46A 0 30,-1.9 32,-2.9 -2,-0.3 2,-0.4 -0.941 27.6-153.0 -99.3 125.6 -8.1 78.7 -11.2 16 15 A L E -Bc 5 47A 0 -11,-2.6 -11,-1.6 -2,-0.5 32,-0.2 -0.846 9.7-167.9-100.6 137.1 -10.4 81.7 -10.8 17 16 A L E - c 0 48A 0 30,-2.2 32,-2.4 -2,-0.4 2,-0.3 -0.944 15.2-143.9-124.1 107.0 -11.2 84.1 -13.7 18 17 A P E + c 0 49A 33 0, 0.0 -15,-0.2 0, 0.0 32,-0.1 -0.577 37.4 151.0 -67.5 129.8 -12.9 87.3 -12.9 19 18 A D > + 0 0 12 30,-2.5 3,-2.0 -2,-0.3 32,-0.2 -0.439 14.2 175.0-162.4 68.4 -15.3 88.1 -15.7 20 19 A V T 3 S+ 0 0 56 1,-0.3 31,-0.8 30,-0.2 34,-0.2 0.867 86.0 39.1 -54.2 -43.2 -18.2 90.1 -14.4 21 20 A D T 3 S- 0 0 108 29,-0.1 -1,-0.3 33,-0.1 29,-0.1 0.300 109.6-121.1 -91.5 8.0 -19.8 90.6 -17.8 22 21 A A < + 0 0 1 -3,-2.0 -2,-0.1 27,-0.3 38,-0.1 0.899 61.3 147.0 55.0 47.3 -18.9 87.1 -19.0 23 22 A E + 0 0 145 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.752 40.4 95.1 -84.0 -26.3 -16.8 88.3 -22.0 24 23 A L S S- 0 0 33 1,-0.1 2,-0.7 -7,-0.1 -5,-0.0 -0.373 71.9-137.8 -65.9 143.0 -14.4 85.4 -21.8 25 24 A V - 0 0 95 -2,-0.1 2,-1.5 2,-0.0 5,-0.1 -0.912 15.1-160.2-104.3 102.8 -15.2 82.4 -24.1 26 25 A L - 0 0 13 -2,-0.7 2,-0.0 4,-0.1 -2,-0.0 -0.586 15.5-179.2 -88.4 78.0 -14.5 79.3 -22.0 27 26 A T > - 0 0 47 -2,-1.5 4,-2.2 258,-0.1 3,-0.2 -0.349 40.7-112.7 -70.1 157.2 -14.0 76.6 -24.7 28 27 A A H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 54,-0.3 0.906 119.5 52.3 -57.0 -42.3 -13.4 73.0 -23.5 29 28 A A H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.817 107.7 50.8 -64.6 -34.8 -9.9 73.3 -24.9 30 29 A R H > S+ 0 0 33 255,-0.3 4,-2.1 -3,-0.2 -1,-0.2 0.912 111.9 47.1 -68.8 -43.7 -9.1 76.6 -23.0 31 30 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.910 112.8 49.8 -61.5 -43.9 -10.3 75.1 -19.8 32 31 A A H X S+ 0 0 44 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.879 112.1 46.7 -65.4 -40.4 -8.2 71.9 -20.4 33 32 A A H < S+ 0 0 15 -4,-1.9 9,-0.2 1,-0.2 8,-0.2 0.866 112.7 50.2 -69.3 -37.7 -5.1 73.9 -21.2 34 33 A L H < S+ 0 0 1 -4,-2.1 7,-1.7 6,-0.2 8,-1.2 0.815 113.7 45.7 -70.0 -30.4 -5.6 76.1 -18.2 35 34 A C H < S+ 0 0 7 -4,-1.9 8,-1.7 45,-0.2 -2,-0.2 0.664 84.7 110.0 -87.3 -17.6 -6.0 73.0 -15.9 36 35 A D X - 0 0 62 -4,-1.3 4,-1.7 6,-0.2 6,-0.6 -0.428 65.9-143.8 -63.0 127.8 -3.0 71.1 -17.4 37 36 A R T 4 S+ 0 0 138 -2,-0.2 -1,-0.2 1,-0.2 -4,-0.0 0.760 95.3 28.4 -68.8 -26.1 -0.4 71.0 -14.7 38 37 A R T 4 S+ 0 0 230 1,-0.0 -1,-0.2 -5,-0.0 -2,-0.1 0.827 126.5 38.8 -99.7 -46.4 2.5 71.4 -17.2 39 38 A K T 4 S+ 0 0 156 -6,-0.0 -2,-0.2 0, 0.0 -6,-0.1 0.698 129.8 8.3 -85.4 -22.6 1.0 73.3 -20.1 40 39 A G S < S- 0 0 24 -4,-1.7 -6,-0.2 -8,-0.1 -5,-0.1 0.100 106.4 -65.4-125.1-121.6 -1.1 75.7 -18.2 41 40 A L - 0 0 59 -7,-1.7 -6,-0.2 -8,-0.2 -4,-0.2 0.624 67.4-118.6-116.9 -25.0 -1.5 76.5 -14.6 42 41 A G + 0 0 1 -8,-1.2 2,-0.3 -6,-0.6 -6,-0.2 0.675 45.6 150.1 85.1 117.7 -2.9 73.3 -13.1 43 42 A A - 0 0 3 -8,-1.7 -29,-0.2 1,-0.1 -1,-0.1 -0.972 53.0-123.7-164.7 162.3 -6.3 72.9 -11.4 44 43 A D S S- 0 0 61 -31,-2.9 36,-1.6 -2,-0.3 2,-0.3 0.771 95.6 -13.5 -79.6 -26.5 -9.1 70.5 -10.8 45 44 A G E -cD 14 79A 0 -32,-1.0 -30,-1.9 34,-0.2 2,-0.4 -0.986 64.2-110.1-164.6 168.9 -11.4 73.1 -12.3 46 45 A V E -cD 15 78A 0 32,-2.4 32,-2.7 -2,-0.3 2,-0.6 -0.902 20.1-160.0-108.6 135.8 -12.0 76.7 -13.5 47 46 A L E -cD 16 77A 0 -32,-2.9 -30,-2.2 -2,-0.4 2,-0.6 -0.914 6.5-162.5-117.3 101.8 -14.3 79.1 -11.6 48 47 A R E -cD 17 76A 3 28,-2.8 28,-2.3 -2,-0.6 2,-0.7 -0.762 14.6-140.6 -87.1 119.2 -15.4 82.0 -13.8 49 48 A V E +cD 18 75A 0 -32,-2.4 -30,-2.5 -2,-0.6 -27,-0.3 -0.718 48.2 121.4 -85.2 112.0 -16.7 84.8 -11.7 50 49 A T E - D 0 74A 0 24,-1.9 24,-3.4 -2,-0.7 2,-0.3 -0.722 59.4 -89.8-147.4-167.5 -19.8 86.4 -13.3 51 50 A T E > - D 0 73A 32 -31,-0.8 4,-2.2 22,-0.3 22,-0.2 -0.886 33.3-115.7-116.0 156.3 -23.4 87.1 -12.5 52 51 A A H > S+ 0 0 0 20,-2.3 4,-2.3 17,-0.4 18,-0.2 0.879 115.2 50.8 -57.7 -39.7 -26.4 84.8 -13.3 53 52 A G H > S+ 0 0 15 17,-2.3 4,-1.6 19,-0.2 -1,-0.2 0.866 110.1 48.4 -67.2 -39.1 -27.9 87.3 -15.8 54 53 A A H > S+ 0 0 18 16,-0.3 4,-1.5 -3,-0.2 -1,-0.2 0.855 112.0 50.7 -68.1 -36.5 -24.6 87.8 -17.7 55 54 A A H <>S+ 0 0 0 -4,-2.2 6,-1.5 1,-0.2 5,-1.2 0.884 111.6 46.9 -67.2 -40.6 -24.2 84.0 -17.9 56 55 A Q H <5S+ 0 0 74 -4,-2.3 3,-0.4 4,-0.2 -2,-0.2 0.815 111.2 52.6 -73.2 -26.7 -27.7 83.6 -19.2 57 56 A A H <5S+ 0 0 88 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.830 110.6 46.4 -73.4 -33.6 -27.1 86.4 -21.8 58 57 A V T <5S- 0 0 80 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.376 120.1-104.7 -96.4 2.8 -24.0 84.9 -23.1 59 58 A G T 5S+ 0 0 61 -3,-0.4 -3,-0.2 -4,-0.3 -4,-0.1 0.249 91.7 110.9 98.3 -12.3 -25.4 81.3 -23.4 60 59 A V S - 0 0 22 0, 0.0 3,-2.2 0, 0.0 52,-0.1 -0.454 51.4 -84.3 -60.9 141.0 -31.9 77.8 -11.3 66 65 A E T 3 S+ 0 0 98 1,-0.3 3,-0.1 -2,-0.1 0, 0.0 -0.265 118.5 20.1 -48.0 124.7 -34.8 78.2 -8.8 67 66 A G T 3 S+ 0 0 57 1,-0.2 2,-0.6 50,-0.1 -1,-0.3 0.414 95.8 113.6 95.7 1.0 -33.6 80.8 -6.2 68 67 A V < - 0 0 7 -3,-2.2 -1,-0.2 50,-0.1 2,-0.1 -0.920 55.2-148.6-111.2 115.6 -31.0 82.4 -8.3 69 68 A R > - 0 0 176 -2,-0.6 3,-1.6 1,-0.1 -17,-0.4 -0.449 25.3-116.0 -80.1 156.4 -31.6 86.0 -9.3 70 69 A V T 3 S+ 0 0 70 1,-0.3 -17,-2.3 -18,-0.2 -16,-0.3 0.752 118.6 51.0 -58.8 -24.4 -30.4 87.6 -12.5 71 70 A T T 3 S+ 0 0 104 -19,-0.2 -1,-0.3 -18,-0.1 3,-0.1 0.500 86.8 114.9 -93.5 -7.1 -28.3 89.9 -10.3 72 71 A D S < S- 0 0 21 -3,-1.6 -20,-2.3 1,-0.1 -19,-0.2 -0.314 76.9-103.5 -65.8 144.2 -26.7 87.2 -8.2 73 72 A W E -De 51 112A 44 38,-0.6 40,-2.7 -22,-0.2 2,-0.4 -0.442 43.9-151.7 -52.9 139.5 -23.0 86.4 -8.2 74 73 A Y E -De 50 113A 6 -24,-3.4 -24,-1.9 38,-0.2 2,-1.1 -0.979 14.7-148.6-131.3 121.2 -22.6 83.2 -10.3 75 74 A M E -D 49 0A 7 38,-2.9 2,-1.3 -2,-0.4 40,-0.5 -0.772 13.0-163.0 -87.0 97.9 -19.9 80.6 -10.0 76 75 A D E -D 48 0A 5 -28,-2.3 -28,-2.8 -2,-1.1 2,-0.4 -0.737 18.7-166.9 -81.8 93.9 -19.5 79.3 -13.5 77 76 A Y E -D 47 0A 19 -2,-1.3 8,-1.5 -30,-0.2 2,-0.4 -0.743 12.0-176.6 -93.2 127.6 -17.7 76.1 -12.6 78 77 A R E -DF 46 84A 34 -32,-2.7 -32,-2.4 -2,-0.4 6,-0.2 -0.989 20.8-133.5-123.7 129.5 -16.0 73.9 -15.3 79 78 A N E > -D 45 0A 33 4,-2.8 3,-1.1 -2,-0.4 -34,-0.2 -0.380 36.4-102.7 -66.7 155.6 -14.2 70.6 -14.7 80 79 A A T 3 S+ 0 0 33 -36,-1.6 2,-0.5 1,-0.3 -45,-0.2 0.826 122.2 62.0 -47.2 -37.9 -10.8 70.2 -16.3 81 80 A D T 3 S- 0 0 122 1,-0.1 2,-1.4 -50,-0.1 -1,-0.3 -0.112 123.1-103.7 -84.5 36.8 -12.4 68.1 -19.0 82 81 A G S < S+ 0 0 16 -3,-1.1 -2,-0.1 -2,-0.5 -1,-0.1 0.009 83.1 130.6 69.9 -32.7 -14.5 71.1 -20.2 83 82 A S - 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