==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 06-MAR-02 1L5A . COMPND 2 MOLECULE: AMIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE; . AUTHOR T.A.KEATING,C.G.MARSHALL,C.T.WALSH,A.E.KEATING . 1272 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57326.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 941 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 13.8 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 . 9 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.2 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-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 107 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 157 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 424 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 0 2 3 0 3 0 0 5 7 1 3 2 2 1 1 2 0 0 2 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 3 3 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 . 7 1 3 0 0 3 8 3 3 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 3 0 3 2 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 1 A M 0 0 67 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 137.5 40.9 125.3 33.9 2 2 A L >> - 0 0 30 1,-0.1 3,-2.9 4,-0.0 4,-1.4 -0.540 360.0-117.5 -80.5 143.5 38.2 122.7 34.2 3 3 A L G >4 S+ 0 0 47 1,-0.3 3,-0.8 -2,-0.2 -1,-0.1 0.900 117.3 58.5 -43.6 -46.7 35.1 122.8 32.0 4 4 A A G 34 S+ 0 0 7 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.723 106.2 48.9 -58.8 -21.6 33.0 123.2 35.1 5 5 A Q G <> S+ 0 0 2 -3,-2.9 4,-2.2 2,-0.1 3,-0.4 0.742 92.3 79.0 -89.5 -25.5 35.0 126.4 36.0 6 6 A K H S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.889 110.9 48.4 -56.5 -35.0 31.1 129.3 32.9 8 8 A F H > S+ 0 0 39 -3,-0.4 4,-1.8 -4,-0.4 -2,-0.2 0.923 110.9 51.5 -67.5 -41.1 32.0 131.0 36.2 9 9 A W H X S+ 0 0 19 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.899 111.4 46.8 -61.1 -42.7 35.1 132.5 34.5 10 10 A Q H >X S+ 0 0 109 -4,-2.7 4,-2.2 2,-0.2 3,-0.6 0.947 106.2 56.3 -67.2 -47.9 33.0 133.9 31.6 11 11 A R H 3X S+ 0 0 50 -4,-2.5 4,-1.2 1,-0.3 -1,-0.2 0.894 108.1 52.4 -49.8 -38.4 30.3 135.3 33.9 12 12 A H H 3< S+ 0 0 16 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.856 108.0 47.8 -67.5 -36.6 33.2 137.2 35.5 13 13 A L H << S+ 0 0 95 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.795 113.1 51.2 -74.8 -22.8 34.4 138.6 32.2 14 14 A A H < S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.661 127.8 18.0 -86.1 -20.1 30.8 139.6 31.4 15 15 A Y S >< S+ 0 0 50 -4,-1.2 3,-1.2 -5,-0.2 5,-0.2 -0.431 71.6 158.5-151.9 68.0 30.2 141.5 34.6 16 16 A P T 3 + 0 0 62 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.843 69.0 64.9 -60.2 -43.5 33.6 142.3 36.2 17 17 A H T 3 S+ 0 0 138 1,-0.1 2,-0.4 2,-0.0 82,-0.1 0.398 102.2 60.7 -67.2 5.0 32.4 145.1 38.4 18 18 A I S < S- 0 0 60 -3,-1.2 2,-1.3 -6,-0.2 -3,-0.1 -0.985 74.2-133.8-144.6 138.0 30.2 142.7 40.3 19 19 A N + 0 0 35 -2,-0.4 3,-0.3 77,-0.2 338,-0.1 -0.677 38.3 157.6 -84.5 91.4 30.7 139.6 42.5 20 20 A L + 0 0 21 -2,-1.3 2,-0.4 -5,-0.2 -1,-0.2 0.824 67.8 40.2 -84.3 -35.8 28.0 137.2 41.1 21 21 A D S S+ 0 0 9 336,-0.1 105,-3.3 -13,-0.1 106,-0.4 -0.508 77.1 139.5-119.9 66.6 29.4 133.9 42.2 22 22 A T E -A 125 0A 8 -2,-0.4 335,-1.4 -3,-0.3 2,-0.5 -0.725 35.5-154.1-105.0 154.0 30.8 134.2 45.7 23 23 A V E +AB 124 356A 5 101,-3.3 101,-2.8 -2,-0.3 2,-0.4 -0.973 22.1 166.8-130.1 115.7 30.5 131.8 48.6 24 24 A A E +AB 123 355A 0 331,-1.8 330,-2.6 -2,-0.5 331,-1.5 -0.994 9.1 178.9-135.7 134.6 30.8 133.2 52.1 25 25 A H E -AB 122 353A 26 97,-2.4 97,-2.5 -2,-0.4 2,-0.4 -0.932 12.6-153.8-127.4 152.5 30.0 131.6 55.5 26 26 A S E -AB 121 352A 3 326,-1.9 326,-2.4 -2,-0.3 2,-0.5 -0.990 6.1-158.6-127.4 137.8 30.3 133.0 59.0 27 27 A L E -AB 120 351A 2 93,-3.5 93,-3.1 -2,-0.4 2,-0.6 -0.964 2.8-163.9-116.2 129.6 30.8 130.8 62.0 28 28 A R E -AB 119 350A 61 322,-1.9 322,-2.3 -2,-0.5 2,-0.6 -0.964 5.8-165.9-118.1 117.2 29.9 132.1 65.4 29 29 A L E -AB 118 349A 0 89,-2.8 89,-2.9 -2,-0.6 2,-0.6 -0.907 4.3-170.2-107.5 123.6 31.3 130.2 68.3 30 30 A T E +AB 117 348A 42 318,-2.0 318,-2.0 -2,-0.6 87,-0.2 -0.961 48.4 59.0-113.4 115.9 30.0 130.8 71.8 31 31 A G S S- 0 0 10 85,-3.3 2,-2.7 -2,-0.6 316,-0.2 -0.819 97.7 -51.2 150.6 171.2 32.0 129.2 74.5 32 32 A P S S+ 0 0 95 0, 0.0 84,-0.1 0, 0.0 315,-0.1 -0.269 71.0 165.9 -72.6 57.0 35.4 128.8 76.3 33 33 A L - 0 0 10 -2,-2.7 2,-1.0 82,-0.2 3,-0.1 -0.369 44.0-116.0 -75.0 152.3 37.2 128.2 73.0 34 34 A D > - 0 0 68 1,-0.2 4,-2.3 -2,-0.1 5,-0.2 -0.802 25.6-161.9 -91.9 99.7 41.1 128.3 72.8 35 35 A T H > S+ 0 0 15 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.916 86.4 49.1 -46.2 -57.0 41.7 131.3 70.5 36 36 A T H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 111.6 47.3 -54.0 -50.2 45.2 130.3 69.7 37 37 A L H > S+ 0 0 40 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.870 110.4 53.4 -62.9 -33.2 44.5 126.7 68.9 38 38 A L H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.943 109.1 49.7 -65.6 -44.4 41.5 127.7 66.7 39 39 A L H X S+ 0 0 37 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.898 112.7 45.9 -60.1 -43.0 43.8 130.0 64.7 40 40 A R H X S+ 0 0 127 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.941 112.1 52.6 -64.2 -48.1 46.4 127.3 64.3 41 41 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.918 111.1 45.9 -53.1 -47.0 43.5 124.9 63.3 42 42 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.917 112.6 50.6 -65.1 -42.1 42.3 127.4 60.6 43 43 A H H X S+ 0 0 76 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.860 113.1 47.1 -61.3 -38.9 45.9 127.9 59.4 44 44 A L H X S+ 0 0 38 -4,-2.9 4,-1.3 2,-0.2 3,-0.4 0.958 110.8 50.4 -68.5 -50.1 46.3 124.2 59.1 45 45 A T H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 4,-0.4 0.925 110.3 49.4 -53.1 -50.3 43.0 123.5 57.4 46 46 A V H >< S+ 0 0 2 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.800 103.5 60.8 -60.9 -32.3 43.7 126.2 54.7 47 47 A S H 3< S+ 0 0 48 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.854 99.7 56.9 -64.9 -32.8 47.2 124.8 54.0 48 48 A E T << S+ 0 0 31 -4,-1.3 2,-1.0 -3,-0.7 -1,-0.2 0.608 89.0 83.2 -74.0 -12.9 45.7 121.5 52.9 49 49 A I X - 0 0 2 -3,-1.1 3,-1.1 -4,-0.4 4,-0.2 -0.747 54.7-177.7 -98.7 93.3 43.4 123.1 50.3 50 50 A D G > S+ 0 0 37 -2,-1.0 3,-2.1 1,-0.3 -1,-0.2 0.854 77.9 61.6 -56.3 -40.0 45.5 123.6 47.1 51 51 A L G > S+ 0 0 0 221,-0.4 3,-2.4 1,-0.3 -1,-0.3 0.798 88.1 70.7 -62.3 -27.4 42.8 125.3 45.1 52 52 A F G < S+ 0 0 7 -3,-1.1 54,-0.4 1,-0.3 53,-0.3 0.607 96.2 56.5 -64.5 -6.0 42.6 128.2 47.6 53 53 A R G < S+ 0 0 52 -3,-2.1 12,-2.6 -4,-0.2 -1,-0.3 0.339 83.2 123.0-103.3 4.3 46.0 129.1 46.1 54 54 A A E < +E 64 0B 1 -3,-2.4 51,-0.6 10,-0.2 2,-0.3 -0.332 35.8 177.8 -66.9 148.0 44.6 129.3 42.6 55 55 A R E -E 63 0B 45 8,-1.7 8,-2.5 49,-0.1 2,-0.4 -0.978 17.6-135.7-147.9 151.2 45.0 132.4 40.6 56 56 A F E -Ef 62 101B 0 44,-1.0 46,-3.3 -2,-0.3 6,-0.2 -0.919 8.5-136.9-119.0 141.6 43.9 133.3 37.0 57 57 A S > - 0 0 13 4,-2.2 3,-2.0 -2,-0.4 43,-0.0 -0.317 39.4-100.1 -80.1 171.4 45.8 135.2 34.3 58 58 A A T 3 S+ 0 0 52 1,-0.3 -1,-0.1 2,-0.1 43,-0.1 0.771 127.6 54.7 -63.5 -23.7 44.0 137.8 32.1 59 59 A Q T 3 S- 0 0 159 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.147 125.2-102.6 -94.6 15.2 43.7 135.0 29.5 60 60 A G < + 0 0 11 -3,-2.0 2,-0.5 1,-0.2 -2,-0.1 0.640 69.6 152.0 74.0 14.0 42.1 132.6 32.0 61 61 A E - 0 0 132 1,-0.0 -4,-2.2 -60,-0.0 2,-0.4 -0.695 39.5-139.8 -81.1 123.0 45.2 130.6 32.6 62 62 A L E +E 56 0B 32 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.2 -0.686 31.6 165.1 -84.7 131.2 45.1 129.0 36.0 63 63 A Y E -E 55 0B 72 -8,-2.5 -8,-1.7 -2,-0.4 2,-0.5 -0.921 32.7-102.2-140.3 165.3 48.4 129.1 37.8 64 64 A W E -E 54 0B 99 -2,-0.3 -10,-0.2 -10,-0.2 -13,-0.1 -0.826 12.2-145.3-108.9 124.7 49.5 128.6 41.5 65 65 A H - 0 0 52 -12,-2.6 -12,-0.0 -2,-0.5 -10,-0.0 -0.520 20.3-139.2 -71.0 138.5 50.4 131.0 44.2 66 66 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.649 76.9 69.2 -79.6 -10.5 53.2 129.5 46.4 67 67 A F S S- 0 0 147 -14,-0.1 -2,-0.1 1,-0.0 0, 0.0 -0.776 82.8-114.6-109.9 152.1 51.9 130.6 49.8 68 68 A S - 0 0 44 -2,-0.3 -21,-0.1 1,-0.1 -15,-0.1 -0.421 51.3 -77.5 -78.1 157.8 48.8 129.6 51.6 69 69 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 -0.233 51.5-113.2 -54.2 137.1 46.0 132.1 52.2 70 70 A P - 0 0 107 0, 0.0 2,-0.6 0, 0.0 38,-0.3 -0.342 20.2-137.6 -68.4 155.4 46.7 134.6 55.1 71 71 A I - 0 0 41 36,-0.1 2,-0.8 2,-0.0 38,-0.2 -0.949 12.4-151.5-117.9 108.4 44.5 134.4 58.1 72 72 A D E -c 109 0A 72 36,-2.9 38,-2.9 -2,-0.6 2,-0.4 -0.717 20.8-176.0 -84.2 108.9 43.5 137.9 59.3 73 73 A Y E -c 110 0A 73 -2,-0.8 2,-0.4 36,-0.2 38,-0.2 -0.847 9.7-179.7-108.3 143.6 43.0 137.8 63.1 74 74 A Q E -c 111 0A 51 36,-2.0 38,-2.3 -2,-0.4 2,-0.8 -0.974 21.7-148.0-145.7 127.0 41.8 140.5 65.4 75 75 A D E +c 112 0A 64 -2,-0.4 3,-0.2 36,-0.2 38,-0.1 -0.854 27.6 164.8 -89.8 113.3 41.2 140.5 69.2 76 76 A L > + 0 0 6 36,-2.9 3,-1.8 -2,-0.8 37,-0.2 0.403 41.6 108.5-111.6 0.3 38.3 142.9 69.6 77 77 A S T 3 S+ 0 0 50 35,-0.8 -1,-0.1 1,-0.3 38,-0.1 0.639 74.6 65.0 -52.3 -13.9 37.4 141.9 73.1 78 78 A I T 3 S+ 0 0 134 -3,-0.2 -1,-0.3 36,-0.1 2,-0.1 0.852 91.9 70.5 -77.6 -38.6 38.9 145.3 74.1 79 79 A H X - 0 0 98 -3,-1.8 3,-0.5 1,-0.1 4,-0.1 -0.473 69.5-145.0 -83.9 153.0 36.2 147.4 72.2 80 80 A L T 3 S+ 0 0 114 1,-0.2 3,-0.3 -2,-0.1 -1,-0.1 0.724 104.4 53.8 -85.2 -25.6 32.6 147.8 73.2 81 81 A E T 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.1 -1,-0.2 -0.279 73.0 133.4-100.5 42.6 31.6 147.9 69.5 82 82 A A H <> + 0 0 9 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.948 69.9 44.2 -59.1 -54.1 33.4 144.6 68.9 83 83 A E H > S+ 0 0 95 -3,-0.3 4,-2.9 1,-0.2 5,-0.3 0.963 115.0 46.4 -59.3 -55.9 30.6 143.0 67.0 84 84 A P H > S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.881 112.1 53.7 -56.0 -34.1 29.7 146.0 64.8 85 85 A L H X S+ 0 0 51 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.942 110.3 45.8 -65.7 -44.5 33.4 146.4 64.2 86 86 A A H >X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 3,-0.6 0.962 112.6 50.2 -62.9 -50.5 33.8 142.8 63.0 87 87 A W H 3X S+ 0 0 73 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.732 102.6 59.9 -62.8 -23.1 30.7 143.0 60.8 88 88 A R H 3X S+ 0 0 168 -4,-1.6 4,-1.8 -5,-0.3 -1,-0.2 0.897 109.4 44.4 -70.3 -37.5 31.7 146.2 59.0 89 89 A Q H < S+ 0 0 19 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.902 111.2 53.5 -66.3 -39.1 34.9 142.0 51.9 94 94 A L H 3< S+ 0 0 36 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.881 112.7 45.5 -60.8 -36.0 31.4 141.0 50.6 95 95 A Q T 3< S+ 0 0 136 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.321 88.1 126.9 -89.3 9.2 31.4 144.4 48.9 96 96 A R S < S- 0 0 41 -3,-1.6 -77,-0.2 -5,-0.1 -3,-0.1 -0.239 79.1-105.5 -66.3 160.1 34.9 144.1 47.6 97 97 A S - 0 0 85 1,-0.1 -1,-0.1 -79,-0.1 -4,-0.0 0.722 43.3-152.9 -54.4 -24.7 35.6 144.6 43.8 98 98 A S + 0 0 7 -5,-0.1 -80,-0.1 1,-0.1 -1,-0.1 0.833 23.0 177.0 50.4 43.8 36.0 140.8 43.7 99 99 A T - 0 0 70 1,-0.1 -1,-0.1 -82,-0.1 -82,-0.0 -0.222 20.5-158.9 -67.4 166.0 38.3 140.8 40.7 100 100 A L > + 0 0 3 -88,-0.1 3,-1.0 -91,-0.1 -44,-1.0 0.625 56.6 101.5-120.5 -26.8 39.7 137.4 39.6 101 101 A I B 3 S-f 56 0B 42 1,-0.3 -44,-0.2 -46,-0.1 -43,-0.1 -0.430 107.0 -23.3 -67.2 131.7 42.8 138.3 37.6 102 102 A D T 3 S+ 0 0 89 -46,-3.3 -1,-0.3 -2,-0.2 -45,-0.1 0.674 111.5 118.4 40.3 30.1 46.0 137.8 39.5 103 103 A A S < S- 0 0 23 -3,-1.0 2,-0.2 -47,-0.2 -47,-0.2 -0.803 74.3 -90.0-122.5 163.2 44.2 138.1 42.8 104 104 A P - 0 0 73 0, 0.0 -49,-0.1 0, 0.0 -51,-0.1 -0.529 29.2-155.5 -70.3 134.7 43.6 135.9 45.9 105 105 A I S S+ 0 0 3 -51,-0.6 20,-0.4 -53,-0.3 2,-0.3 0.663 70.5 45.7 -85.2 -18.2 40.4 133.9 45.5 106 106 A T - 0 0 9 -54,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.807 59.9-158.8-124.9 169.6 39.7 133.5 49.2 107 107 A S E - 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