==== 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 OXIDOREDUCTASE 19-JUN-03 1PR3 . COMPND 2 MOLECULE: ASPARTATE SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR J.BLANCO,R.A.MOORE,C.R.FAEHNLE,D.M.COE,R.E.VIOLA . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 1 2 0 1 0 1 0 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 5 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 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 163 0, 0.0 29,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 160.6 -14.5 37.0 -39.0 2 2 A K - 0 0 82 27,-0.5 29,-3.1 355,-0.3 2,-0.7 -0.390 360.0-128.8 -68.5 142.5 -15.7 40.4 -40.1 3 3 A N E -a 31 0A 54 27,-0.2 52,-2.2 50,-0.1 53,-2.2 -0.854 31.7-175.5 -97.2 112.0 -15.3 43.3 -37.7 4 4 A V E -ab 32 56A 0 27,-2.6 29,-3.0 -2,-0.7 2,-0.3 -0.933 12.6-155.0-115.7 127.9 -18.6 45.1 -37.3 5 5 A G E -ab 33 57A 0 51,-2.8 53,-2.8 -2,-0.5 2,-0.5 -0.761 8.2-152.2 -99.0 144.9 -19.2 48.2 -35.3 6 6 A F E -ab 34 58A 1 27,-2.5 29,-2.5 -2,-0.3 2,-0.4 -0.972 13.0-179.1-121.4 128.8 -22.7 49.1 -34.0 7 7 A I E + b 0 59A 2 51,-2.4 53,-2.7 -2,-0.5 54,-0.3 -0.967 69.5 14.2-125.1 141.4 -23.9 52.6 -33.3 8 8 A G S > S+ 0 0 9 -2,-0.4 3,-0.9 27,-0.3 6,-0.5 0.770 76.3 140.8 68.5 26.7 -27.3 53.6 -31.9 9 9 A W T 3 + 0 0 60 26,-0.3 9,-0.2 1,-0.2 -1,-0.1 0.554 65.2 58.9 -77.2 -8.6 -28.0 50.0 -30.8 10 10 A R T 3 S+ 0 0 182 4,-0.1 -1,-0.2 5,-0.1 -2,-0.0 0.489 88.7 90.3 -97.5 -4.8 -29.6 51.3 -27.6 11 11 A G S <> S- 0 0 39 -3,-0.9 4,-2.6 1,-0.1 5,-0.1 -0.112 97.5 -91.7 -77.9-175.4 -32.3 53.3 -29.4 12 12 A M H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.970 126.1 38.0 -66.7 -54.7 -35.6 51.8 -30.3 13 13 A V H > S+ 0 0 37 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.953 118.7 51.8 -60.9 -46.7 -34.8 50.6 -33.8 14 14 A G H > S+ 0 0 0 -6,-0.5 4,-2.9 46,-0.3 -1,-0.2 0.901 107.5 52.1 -54.7 -44.1 -31.4 49.6 -32.6 15 15 A S H X S+ 0 0 48 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.899 109.0 49.1 -61.0 -41.9 -32.9 47.6 -29.7 16 16 A V H X S+ 0 0 17 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.919 111.8 50.8 -63.6 -40.9 -35.2 45.7 -32.1 17 17 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.949 109.7 49.0 -60.1 -50.4 -32.2 45.0 -34.2 18 18 A M H X S+ 0 0 20 -4,-2.9 4,-2.0 -9,-0.2 -1,-0.2 0.894 112.3 48.5 -57.4 -43.8 -30.2 43.7 -31.2 19 19 A D H X S+ 0 0 97 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.941 111.7 47.4 -64.2 -48.9 -33.0 41.4 -30.1 20 20 A R H X S+ 0 0 22 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.894 110.8 54.5 -59.6 -38.4 -33.6 39.9 -33.5 21 21 A M H <>S+ 0 0 0 -4,-2.5 5,-3.0 -5,-0.2 6,-0.5 0.898 110.3 44.4 -63.8 -40.6 -29.8 39.4 -33.9 22 22 A S H ><5S+ 0 0 70 -4,-2.0 3,-1.8 3,-0.2 -2,-0.2 0.938 109.8 56.5 -68.3 -45.0 -29.6 37.5 -30.6 23 23 A Q H 3<5S+ 0 0 123 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.833 115.6 37.6 -52.7 -36.9 -32.8 35.5 -31.5 24 24 A E T 3<5S- 0 0 94 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.326 109.8-121.5 -99.4 5.9 -31.0 34.4 -34.7 25 25 A N T X 5 + 0 0 107 -3,-1.8 3,-1.4 -4,-0.2 4,-0.3 0.823 57.3 154.4 56.5 34.7 -27.6 34.0 -33.2 26 26 A D G > < + 0 0 17 -5,-3.0 3,-1.2 1,-0.3 -4,-0.1 0.784 60.0 67.2 -63.2 -26.9 -26.3 36.5 -35.6 27 27 A F G > S+ 0 0 52 -6,-0.5 3,-1.0 1,-0.2 -1,-0.3 0.672 84.5 72.4 -70.7 -14.8 -23.4 37.5 -33.3 28 28 A E G < S+ 0 0 135 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.717 94.4 52.8 -72.5 -20.3 -21.7 34.1 -33.6 29 29 A N G < S+ 0 0 98 -3,-1.2 -27,-0.5 -4,-0.3 2,-0.3 0.228 112.0 35.4-101.2 13.5 -20.6 34.8 -37.2 30 30 A L S < S- 0 0 9 -3,-1.0 -27,-0.2 -29,-0.2 327,-0.0 -0.966 77.7-105.9-155.9 170.8 -18.8 38.2 -36.6 31 31 A N E -a 3 0A 76 -29,-3.1 -27,-2.6 -2,-0.3 2,-0.3 -0.899 39.9-153.7-105.0 104.9 -16.7 40.3 -34.3 32 32 A P E -a 4 0A 43 0, 0.0 2,-0.5 0, 0.0 -27,-0.2 -0.634 13.0-172.9 -86.4 133.3 -19.0 43.0 -32.8 33 33 A V E -a 5 0A 31 -29,-3.0 -27,-2.5 -2,-0.3 2,-0.4 -0.986 14.0-149.8-124.6 119.2 -17.6 46.3 -31.6 34 34 A F E -a 6 0A 55 -2,-0.5 9,-2.2 -29,-0.2 2,-0.2 -0.747 11.6-166.7 -96.2 136.2 -20.0 48.6 -29.8 35 35 A F E -f 43 0B 2 -29,-2.5 2,-0.3 -2,-0.4 -27,-0.3 -0.725 2.7-165.3-114.8 165.2 -19.9 52.4 -29.8 36 36 A T E -f 44 0B 29 7,-2.5 9,-2.6 -2,-0.2 10,-0.3 -0.980 25.1-147.7-148.4 155.0 -21.5 55.2 -27.8 37 37 A T S S+ 0 0 63 -2,-0.3 7,-0.1 7,-0.2 -1,-0.1 0.517 72.9 104.4 -97.1 -13.5 -21.9 59.0 -28.1 38 38 A S - 0 0 61 1,-0.1 -2,-0.1 -3,-0.0 7,-0.1 -0.265 58.1-158.2 -69.1 156.1 -21.8 59.3 -24.4 39 39 A Q 0 0 203 5,-0.1 -1,-0.1 -2,-0.0 5,-0.0 0.288 360.0 360.0-113.0 2.4 -18.8 60.6 -22.5 40 40 A A 0 0 130 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.228 360.0 360.0 -76.7 360.0 -19.8 58.9 -19.3 41 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 42 55 A L 0 0 131 0, 0.0 -7,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 128.2 -17.5 50.9 -25.4 43 56 A K E -f 35 0B 78 -9,-2.2 -7,-2.5 1,-0.1 2,-0.5 -0.452 360.0 -88.7 -95.6 170.8 -15.8 53.1 -28.0 44 57 A S E > -f 36 0B 51 -9,-0.2 3,-1.6 -2,-0.1 -7,-0.2 -0.693 22.9-146.0 -84.3 125.6 -16.6 56.7 -29.2 45 58 A A T 3 S+ 0 0 0 -9,-2.6 -8,-0.1 -2,-0.5 -1,-0.1 0.607 101.0 53.4 -64.3 -12.1 -19.0 56.8 -32.2 46 59 A F T 3 S+ 0 0 84 -10,-0.3 2,-1.3 1,-0.0 -1,-0.3 0.534 76.4 109.4-100.6 -8.6 -17.1 59.9 -33.3 47 60 A D <> - 0 0 65 -3,-1.6 4,-1.8 1,-0.2 3,-0.4 -0.543 47.7-172.2 -72.3 94.9 -13.6 58.3 -33.3 48 61 A I H > S+ 0 0 32 -2,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.865 82.9 52.9 -57.2 -40.0 -12.9 58.1 -37.0 49 62 A E H > S+ 0 0 115 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.868 108.9 49.7 -66.0 -35.3 -9.7 56.1 -36.4 50 63 A E H 4 S+ 0 0 38 -3,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.826 112.9 47.2 -70.6 -32.1 -11.5 53.6 -34.3 51 64 A L H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.765 100.4 68.0 -78.9 -27.3 -14.2 53.3 -37.0 52 65 A K H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.3 27,-0.2 0.794 92.5 60.4 -61.6 -30.3 -11.5 52.9 -39.7 53 66 A K T 3< S+ 0 0 129 -4,-0.7 -1,-0.3 -3,-0.3 2,-0.2 0.576 87.4 95.8 -75.6 -10.0 -10.6 49.5 -38.3 54 67 A L < - 0 0 7 -3,-1.4 26,-0.2 1,-0.1 -50,-0.2 -0.587 61.0-155.9 -86.5 142.5 -14.0 48.1 -38.9 55 68 A D S S+ 0 0 61 -52,-2.2 26,-2.9 1,-0.3 2,-0.3 0.776 86.2 22.8 -81.8 -29.1 -14.9 46.1 -42.0 56 69 A I E -bc 4 81A 1 -53,-2.2 -51,-2.8 24,-0.2 2,-0.5 -0.998 63.3-156.8-143.3 143.6 -18.6 47.1 -41.5 57 70 A I E -bc 5 82A 0 24,-2.7 26,-4.0 -2,-0.3 2,-0.6 -0.979 7.5-172.1-119.9 125.6 -20.5 49.8 -39.8 58 71 A V E +bc 6 83A 1 -53,-2.8 -51,-2.4 -2,-0.5 2,-0.4 -0.952 14.6 179.7-120.3 108.5 -24.1 49.3 -38.7 59 72 A T E +bc 7 84A 1 24,-2.8 26,-2.3 -2,-0.6 27,-0.5 -0.941 31.7 162.1-119.7 133.2 -25.7 52.4 -37.5 60 73 A C + 0 0 23 -53,-2.7 -46,-0.3 -2,-0.4 -52,-0.2 -0.043 56.1 108.6-123.0 18.6 -29.2 53.1 -36.2 61 74 A Q S S- 0 0 77 -54,-0.3 2,-0.2 1,-0.2 3,-0.1 0.916 80.4-106.4 -66.2 -46.8 -28.0 56.4 -34.6 62 75 A G > - 0 0 23 1,-0.1 4,-2.3 2,-0.1 -1,-0.2 -0.655 29.3 -68.6 136.9 166.7 -29.7 58.8 -37.0 63 76 A G H > S+ 0 0 24 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.886 121.8 52.8 -57.7 -49.0 -29.2 61.2 -39.9 64 77 A D H > S+ 0 0 144 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.950 111.7 47.8 -55.2 -49.4 -27.3 63.9 -38.1 65 78 A Y H > S+ 0 0 14 2,-0.2 4,-3.1 1,-0.2 5,-0.5 0.940 114.9 46.9 -54.5 -49.8 -24.8 61.3 -36.9 66 79 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.971 111.2 49.0 -56.6 -59.0 -24.5 59.9 -40.4 67 80 A N H < S+ 0 0 94 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.766 118.3 42.7 -54.9 -27.4 -24.1 63.2 -42.1 68 81 A E H X S+ 0 0 98 -4,-2.0 4,-0.7 -5,-0.3 -2,-0.2 0.948 125.5 26.9 -84.0 -55.2 -21.4 64.2 -39.6 69 82 A V H X S+ 0 0 2 -4,-3.1 4,-2.5 -5,-0.2 5,-0.2 0.879 109.6 67.0 -77.0 -42.5 -19.3 61.0 -39.3 70 83 A Y H X S+ 0 0 22 -4,-2.4 4,-2.7 -5,-0.5 5,-0.3 0.905 102.2 45.5 -48.3 -54.4 -19.9 59.3 -42.7 71 84 A P H > S+ 0 0 63 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.924 113.0 50.0 -59.7 -43.9 -18.1 61.9 -44.8 72 85 A K H X S+ 0 0 113 -4,-0.7 4,-0.5 2,-0.2 -2,-0.2 0.938 113.0 46.7 -59.5 -48.0 -15.1 62.1 -42.5 73 86 A L H ><>S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 5,-1.2 0.950 113.9 45.9 -59.6 -51.6 -14.7 58.4 -42.4 74 87 A K H ><5S+ 0 0 64 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.779 106.4 65.5 -62.3 -22.6 -15.1 58.0 -46.2 75 88 A A H 3<5S+ 0 0 79 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.646 94.0 56.7 -73.8 -16.9 -12.6 60.9 -46.3 76 89 A T T <<5S- 0 0 57 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.575 122.2-103.0 -89.9 -11.5 -9.8 58.9 -44.8 77 90 A G T < 5 + 0 0 57 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.405 58.7 170.2 103.7 -0.9 -10.1 56.3 -47.5 78 91 A W < - 0 0 15 -5,-1.2 -1,-0.3 1,-0.2 -25,-0.1 -0.187 15.5-168.6 -44.8 128.4 -11.9 53.7 -45.4 79 92 A D + 0 0 113 -27,-0.2 -1,-0.2 -3,-0.1 -24,-0.1 0.290 45.2 108.5-108.8 9.2 -13.1 51.0 -47.9 80 93 A G S S- 0 0 11 -26,-0.2 2,-0.4 1,-0.1 -24,-0.2 0.098 72.9 -78.7 -76.6-168.9 -15.5 49.1 -45.7 81 94 A Y E -c 56 0A 55 -26,-2.9 -24,-2.7 36,-0.1 2,-0.6 -0.754 28.8-157.3 -99.0 139.6 -19.3 48.8 -45.6 82 95 A W E -cd 57 117A 0 34,-3.1 36,-2.5 -2,-0.4 2,-0.6 -0.944 8.9-173.3-118.2 109.7 -21.7 51.3 -44.2 83 96 A V E -cd 58 118A 2 -26,-4.0 -24,-2.8 -2,-0.6 2,-0.4 -0.919 12.3-175.3-105.0 116.4 -25.1 49.9 -43.2 84 97 A D E -cd 59 119A 0 34,-2.6 36,-3.1 -2,-0.6 -24,-0.2 -0.922 31.8-174.2-121.7 137.4 -27.6 52.6 -42.2 85 98 A A S S+ 0 0 31 -26,-2.3 -25,-0.2 -2,-0.4 -1,-0.1 0.702 72.5 87.6 -92.2 -26.8 -31.1 52.5 -40.8 86 99 A A S S- 0 0 16 -27,-0.5 3,-0.4 -24,-0.1 34,-0.2 -0.399 83.2-127.8 -72.6 152.6 -31.3 56.3 -41.0 87 100 A S S > S+ 0 0 57 1,-0.2 3,-1.4 2,-0.1 4,-0.4 0.504 76.6 108.8 -80.7 -6.9 -32.5 57.8 -44.3 88 101 A A T 3 S+ 0 0 26 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 0.855 90.6 27.6 -35.7 -60.7 -29.6 60.2 -44.8 89 102 A L T > S+ 0 0 4 -3,-0.4 3,-2.6 1,-0.2 -1,-0.3 0.502 86.6 114.7 -87.7 -3.5 -28.0 58.3 -47.7 90 103 A K T < S+ 0 0 16 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.771 83.3 38.4 -32.4 -47.6 -31.2 56.7 -49.0 91 104 A M T 3 S+ 0 0 83 -3,-0.4 2,-0.3 -4,-0.4 -1,-0.3 -0.050 86.9 124.5-103.7 33.5 -31.0 58.7 -52.3 92 105 A K X - 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