==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-SEP-11 3TZ6 . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR R.VYAS,R.TEWARI,M.S.WEISS,S.KARTHIKEYAN . 343 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 10.2 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 0.3 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 . 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 . 23 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 2 0 0 0 0 0 1 1 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 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 PARALLEL BRIDGES PER LADDER . 2 0 0 1 1 0 0 2 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 0 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 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 2 A G 0 0 91 0, 0.0 27,-0.2 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -45.5 234.2 21.6 66.7 2 3 A L E -a 28 0A 33 25,-1.4 27,-2.4 27,-0.1 28,-1.6 -0.257 360.0-146.8 -70.5 146.9 234.9 24.7 68.9 3 4 A S E -a 30 0A 15 25,-0.2 62,-2.2 26,-0.2 63,-2.0 -0.980 23.8-174.8-112.0 121.2 233.1 25.7 72.1 4 5 A I E -ab 31 66A 0 26,-2.6 28,-2.7 -2,-0.5 2,-0.3 -0.900 9.7-166.5-118.8 141.3 232.8 29.5 72.5 5 6 A G E -ab 32 67A 0 61,-2.1 63,-2.9 -2,-0.4 2,-0.5 -0.927 9.7-152.8-121.0 152.1 231.6 31.7 75.4 6 7 A I E > -ab 33 68A 0 26,-2.1 28,-2.7 -2,-0.3 2,-0.6 -0.972 8.9-162.8-122.5 115.3 230.7 35.4 75.5 7 8 A V E 3 S+ab 34 69A 0 61,-2.8 63,-3.2 -2,-0.5 28,-0.2 -0.885 83.8 24.4-100.0 120.4 231.0 37.0 78.9 8 9 A G T > S+ 0 0 12 26,-2.5 3,-1.1 -2,-0.6 6,-0.5 0.763 77.6 163.6 89.1 39.5 229.2 40.3 79.0 9 10 A A T < + 0 0 0 25,-2.2 9,-0.2 -3,-0.6 26,-0.1 0.640 63.4 57.8 -68.2 -16.5 226.9 39.2 76.1 10 11 A T T 3 S+ 0 0 74 24,-0.3 -1,-0.2 4,-0.1 25,-0.1 0.578 87.1 87.5 -94.4 -9.6 224.2 41.9 76.7 11 12 A G S <> S- 0 0 36 -3,-1.1 4,-2.3 59,-0.2 5,-0.2 -0.217 95.9 -94.1 -80.5 177.9 226.4 45.1 76.3 12 13 A Q H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.925 126.9 46.2 -60.2 -46.5 227.1 46.8 73.0 13 14 A V H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.932 111.6 52.4 -63.2 -43.6 230.3 45.0 72.5 14 15 A G H > S+ 0 0 1 -6,-0.5 4,-2.4 56,-0.3 -1,-0.2 0.880 108.3 52.0 -56.6 -41.4 228.7 41.6 73.4 15 16 A Q H X S+ 0 0 93 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.922 110.8 46.5 -60.8 -46.4 225.9 42.3 70.9 16 17 A V H X S+ 0 0 24 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.900 109.6 54.7 -66.4 -39.1 228.5 43.0 68.1 17 18 A M H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.940 110.5 46.9 -55.5 -47.9 230.4 39.8 69.1 18 19 A R H X S+ 0 0 41 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.938 112.1 48.9 -59.3 -50.0 227.1 37.9 68.7 19 20 A T H X S+ 0 0 65 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.912 114.8 45.9 -54.5 -45.0 226.4 39.5 65.3 20 21 A L H X S+ 0 0 1 -4,-2.9 4,-3.4 2,-0.2 6,-0.2 0.882 106.1 56.2 -72.9 -38.8 229.9 38.8 64.0 21 22 A L H <>S+ 0 0 3 -4,-2.6 5,-2.5 -5,-0.2 -1,-0.2 0.926 116.0 41.5 -53.8 -42.9 230.1 35.2 65.2 22 23 A D H ><5S+ 0 0 65 -4,-1.9 3,-1.6 -5,-0.2 -2,-0.2 0.973 118.4 43.1 -67.9 -57.3 226.9 34.7 63.2 23 24 A E H 3<5S+ 0 0 124 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.848 115.5 48.2 -62.2 -36.1 228.0 36.7 60.1 24 25 A R T 3<5S- 0 0 79 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.314 107.2-126.5 -87.6 9.2 231.6 35.4 60.0 25 26 A D T < 5 - 0 0 111 -3,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.886 29.8-159.0 47.0 48.6 230.2 31.8 60.3 26 27 A F < - 0 0 14 -5,-2.5 2,-3.1 -6,-0.2 -1,-0.2 -0.449 19.1-124.6 -63.7 121.6 232.5 31.1 63.3 27 28 A P + 0 0 81 0, 0.0 -25,-1.4 0, 0.0 2,-0.6 -0.271 56.0 147.2 -73.6 62.4 232.7 27.3 63.5 28 29 A A E -a 2 0A 25 -2,-3.1 -25,-0.2 -27,-0.2 3,-0.1 -0.878 33.6-168.6 -97.9 121.3 231.5 26.9 67.1 29 30 A S E S+ 0 0 90 -27,-2.4 2,-0.4 -2,-0.6 -26,-0.2 0.731 83.0 31.2 -79.5 -22.6 229.6 23.7 67.8 30 31 A A E -a 3 0A 42 -28,-1.6 -26,-2.6 -3,-0.1 2,-0.4 -0.999 67.9-171.6-133.7 138.4 228.6 25.2 71.2 31 32 A V E -a 4 0A 22 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.998 6.7-172.9-128.9 126.5 228.0 28.8 72.1 32 33 A R E -a 5 0A 50 -28,-2.7 -26,-2.1 -2,-0.4 2,-0.4 -0.938 7.7-153.4-119.0 146.2 227.4 30.0 75.6 33 34 A F E -ac 6 53A 0 19,-0.9 21,-3.0 -2,-0.4 2,-0.3 -0.919 11.1-174.3-117.5 145.0 226.4 33.4 76.9 34 35 A F E +ac 7 54A 0 -28,-2.7 -26,-2.5 -2,-0.4 -25,-2.2 -0.986 13.7 150.5-136.4 146.8 227.1 35.0 80.3 35 36 A A E - c 0 55A 9 19,-2.5 21,-2.8 -2,-0.3 22,-0.3 -0.737 48.4 -72.6-143.6-162.1 226.2 38.2 82.2 36 37 A S >> - 0 0 48 -2,-0.2 3,-2.2 19,-0.2 4,-0.9 -0.672 64.7 -67.4-100.6 160.8 225.7 39.2 85.9 37 38 A A T 34 S+ 0 0 71 1,-0.3 -1,-0.2 -2,-0.2 4,-0.0 -0.052 123.4 30.8 -45.3 136.3 222.9 38.2 88.2 38 39 A R T 34 S+ 0 0 83 2,-0.2 -1,-0.3 -3,-0.1 17,-0.0 0.235 117.7 59.8 89.6 -14.5 219.5 39.8 87.3 39 40 A S T <4 S+ 0 0 28 -3,-2.2 3,-0.5 15,-0.1 -2,-0.2 0.586 93.5 85.5-103.1 -27.5 220.6 39.7 83.6 40 41 A Q S < S+ 0 0 75 -4,-0.9 2,-0.5 1,-0.2 14,-0.2 -0.193 71.2 46.7 -72.3 163.0 220.9 35.9 83.8 41 42 A G S S+ 0 0 48 12,-2.1 -1,-0.2 1,-0.4 13,-0.1 -0.379 88.0 106.9 96.6 -52.8 218.0 33.4 83.3 42 43 A R - 0 0 71 -2,-0.5 11,-2.9 -3,-0.5 -1,-0.4 -0.051 65.6-134.4 -44.1 152.1 216.9 35.3 80.2 43 44 A K E -G 52 0B 121 9,-0.2 2,-0.4 -3,-0.1 9,-0.2 -0.906 11.8-156.4-114.4 149.6 217.6 33.7 76.8 44 45 A L E -G 51 0B 39 7,-2.5 7,-2.8 -2,-0.3 2,-0.1 -0.995 23.7-115.2-124.9 132.9 219.0 35.4 73.7 45 46 A A E +G 50 0B 76 -2,-0.4 2,-0.3 5,-0.2 5,-0.3 -0.381 35.9 173.6 -64.5 138.7 218.4 34.3 70.2 46 47 A F E > -G 49 0B 24 3,-3.1 3,-1.4 -2,-0.1 -15,-0.1 -0.881 62.2 -35.8-147.6 116.4 221.5 33.1 68.3 47 48 A R T 3 S- 0 0 121 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.864 127.5 -26.5 39.9 67.9 221.4 31.5 64.8 48 49 A G T 3 S+ 0 0 91 1,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.478 126.8 63.9 83.3 -1.6 218.2 29.5 65.0 49 50 A Q E < S-G 46 0B 129 -3,-1.4 -3,-3.1 -5,-0.1 2,-0.5 -0.949 76.9-111.6-145.2 172.5 218.0 28.9 68.7 50 51 A E E -G 45 0B 135 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.2 -0.924 29.8-155.0-106.5 128.0 217.7 30.6 72.1 51 52 A I E -G 44 0B 15 -7,-2.8 -7,-2.5 -2,-0.5 2,-0.1 -0.864 18.1-119.4-108.9 129.8 220.7 30.5 74.4 52 53 A E E -G 43 0B 95 -2,-0.4 2,-1.0 -9,-0.2 -19,-0.9 -0.400 19.8-130.3 -63.8 137.6 220.5 30.9 78.2 53 54 A V E -c 33 0A 1 -11,-2.9 -12,-2.1 -14,-0.1 -19,-0.2 -0.831 34.8-160.2 -89.4 103.8 222.3 33.9 79.6 54 55 A E E -c 34 0A 36 -21,-3.0 -19,-2.5 -2,-1.0 2,-0.7 -0.260 24.6 -95.1 -80.4 170.0 224.4 32.2 82.4 55 56 A D E > -c 35 0A 23 -21,-0.2 4,-2.6 1,-0.1 -19,-0.2 -0.808 27.3-154.9 -88.2 116.1 225.9 33.8 85.5 56 57 A A T 4 S+ 0 0 0 -21,-2.8 -1,-0.1 -2,-0.7 -20,-0.1 0.841 90.9 50.1 -59.6 -36.9 229.6 34.6 84.8 57 58 A E T 4 S+ 0 0 93 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.871 124.9 22.1 -70.9 -39.3 230.6 34.5 88.4 58 59 A T T 4 S+ 0 0 108 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.582 94.0 104.8-114.1 -13.8 229.1 31.1 89.3 59 60 A A S < S- 0 0 14 -4,-2.6 -25,-0.0 1,-0.1 -5,-0.0 -0.307 76.4-108.1 -67.6 155.4 228.7 29.1 86.1 60 61 A D - 0 0 97 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.788 23.2-163.2 -91.2 113.9 231.1 26.3 85.3 61 62 A P > + 0 0 3 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.603 48.1 124.9 -69.1 -15.1 233.5 27.3 82.5 62 63 A S T 3 + 0 0 62 1,-0.2 3,-0.1 26,-0.0 25,-0.1 -0.162 67.8 30.1 -54.2 137.2 234.6 23.7 81.8 63 64 A G T 3 S+ 0 0 58 23,-0.5 -1,-0.2 1,-0.4 2,-0.2 -0.088 88.7 117.3 104.8 -33.6 234.1 22.6 78.2 64 65 A L < - 0 0 4 -3,-1.9 -1,-0.4 1,-0.2 -60,-0.2 -0.501 43.3-169.8 -67.5 130.9 234.7 26.0 76.7 65 66 A D S S+ 0 0 69 -62,-2.2 24,-2.8 1,-0.3 2,-0.4 0.879 75.9 14.8 -79.6 -47.6 237.7 26.3 74.4 66 67 A I E -bd 4 89A 5 -63,-2.0 -61,-2.1 22,-0.2 2,-0.4 -0.983 61.8-164.4-132.1 137.4 237.6 30.1 74.1 67 68 A A E -bd 5 90A 0 22,-2.3 24,-2.9 -2,-0.4 2,-0.6 -0.995 9.7-153.2-120.4 127.2 235.8 32.8 76.1 68 69 A L E -bd 6 91A 1 -63,-2.9 -61,-2.8 -2,-0.4 2,-0.5 -0.887 18.3-158.0 -95.4 116.7 235.4 36.4 74.8 69 70 A F E +bd 7 92A 0 22,-2.6 24,-3.1 -2,-0.6 -61,-0.2 -0.851 32.8 153.1 -98.9 130.2 235.2 38.8 77.7 70 71 A S + 0 0 23 -63,-3.2 -56,-0.3 -2,-0.5 -59,-0.2 -0.491 42.0 110.2-144.5 73.3 233.6 42.2 77.4 71 72 A A S S- 0 0 31 1,-0.4 4,-0.5 -62,-0.0 -63,-0.1 0.081 83.7 -87.8-134.2 20.9 232.5 42.7 81.0 72 73 A G > - 0 0 41 21,-0.5 4,-1.4 1,-0.1 -1,-0.4 -0.031 43.8 -83.7 86.9 164.6 234.8 45.4 82.5 73 74 A S H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.869 121.5 58.8 -76.9 -36.6 238.1 45.0 84.2 74 75 A A H > S+ 0 0 74 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.951 110.4 42.7 -56.2 -53.5 236.8 44.2 87.7 75 76 A M H > S+ 0 0 34 -4,-0.5 4,-3.0 1,-0.2 5,-0.3 0.890 114.8 52.5 -57.7 -43.0 235.0 41.2 86.5 76 77 A S H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.871 99.4 61.0 -63.3 -40.8 237.9 40.2 84.3 77 78 A K H < S+ 0 0 128 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.907 119.9 27.5 -55.9 -42.0 240.5 40.4 87.2 78 79 A V H X S+ 0 0 93 -4,-1.2 4,-1.3 -3,-0.2 -2,-0.2 0.915 126.9 40.6 -81.0 -51.0 238.6 37.6 89.0 79 80 A Q H X S+ 0 0 8 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.804 102.2 63.9 -82.5 -32.4 236.9 35.6 86.2 80 81 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.919 107.7 44.6 -58.8 -44.6 239.5 35.4 83.5 81 82 A P H > S+ 0 0 49 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.920 112.5 52.5 -65.6 -41.1 241.8 33.4 85.8 82 83 A R H X S+ 0 0 77 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.936 114.0 42.8 -54.9 -49.7 238.9 31.2 86.9 83 84 A F H <>S+ 0 0 0 -4,-3.0 5,-2.3 2,-0.2 3,-0.2 0.926 113.9 50.3 -62.3 -47.5 238.1 30.5 83.2 84 85 A A H ><5S+ 0 0 21 -4,-2.8 3,-1.8 -5,-0.2 -2,-0.2 0.889 106.0 57.4 -59.9 -38.3 241.7 30.0 82.3 85 86 A A H 3<5S+ 0 0 90 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.883 102.4 55.0 -55.3 -41.3 242.0 27.5 85.3 86 87 A A T 3<5S- 0 0 36 -4,-1.5 -23,-0.5 -3,-0.2 -1,-0.3 0.281 131.0 -97.2 -76.4 10.7 239.2 25.5 83.7 87 88 A G T < 5S+ 0 0 56 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.560 78.0 143.4 86.0 9.4 241.3 25.3 80.5 88 89 A V < - 0 0 2 -5,-2.3 2,-0.7 -6,-0.1 -1,-0.3 -0.690 50.0-134.9 -86.5 129.2 239.6 28.2 78.7 89 90 A T E -d 66 0A 32 -24,-2.8 -22,-2.3 -2,-0.4 2,-0.5 -0.776 28.9-150.6 -75.2 116.0 241.7 30.5 76.5 90 91 A V E -de 67 123A 0 32,-2.7 34,-3.0 -2,-0.7 2,-0.6 -0.803 17.4-168.8 -96.8 125.9 240.4 34.0 77.5 91 92 A I E -de 68 124A 0 -24,-2.9 -22,-2.6 -2,-0.5 2,-0.7 -0.958 21.5-158.5-109.5 109.4 240.4 36.9 75.0 92 93 A D E -de 69 125A 0 32,-2.7 34,-3.3 -2,-0.6 2,-1.7 -0.806 22.1-164.5-105.5 112.5 239.6 39.9 77.2 93 94 A N + 0 0 25 -24,-3.1 -21,-0.5 -2,-0.7 2,-0.3 -0.597 65.4 83.4 -84.4 72.8 238.2 43.2 75.9 94 95 A S S S- 0 0 10 -2,-1.7 3,-0.4 32,-0.4 32,-0.2 -0.954 86.5-110.0-158.0 173.6 239.1 45.2 79.0 95 96 A S S > S+ 0 0 55 -2,-0.3 3,-1.1 1,-0.2 4,-0.5 0.567 88.6 100.0 -84.6 -7.2 242.1 47.0 80.5 96 97 A A T 3 S+ 0 0 23 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.815 93.8 21.8 -49.0 -47.1 242.6 44.4 83.3 97 98 A W T > S+ 0 0 32 -3,-0.4 3,-1.2 1,-0.1 -1,-0.3 0.324 92.3 101.6-108.1 6.2 245.4 42.4 81.7 98 99 A R T < S+ 0 0 14 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.811 86.0 43.2 -67.4 -31.9 246.9 44.9 79.3 99 100 A K T 3 S+ 0 0 144 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.371 86.6 111.5 -95.7 3.5 249.9 45.9 81.5 100 101 A D X - 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