==== 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 LYASE 01-APR-09 3GWQ . COMPND 2 MOLECULE: D-SERINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS LB400; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 803 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 12.2 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 47 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 1 0 1 1 4 2 0 3 3 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 10 1 2 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 PARALLEL BRIDGES PER LADDER . 5 2 2 8 4 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 . 0 0 3 0 0 3 0 0 1 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 9 A A 0 0 83 0, 0.0 19,-2.3 0, 0.0 20,-0.3 0.000 360.0 360.0 360.0 123.6 35.3 20.7 49.8 2 10 A T B -A 19 0A 57 17,-0.3 17,-0.3 18,-0.1 2,-0.1 -0.838 360.0 -91.6-129.4 156.7 33.5 20.9 53.1 3 11 A I - 0 0 1 15,-2.9 15,-0.3 -2,-0.3 12,-0.1 -0.439 41.0-121.6 -67.6 134.4 30.2 22.3 54.4 4 12 A D > - 0 0 47 1,-0.1 3,-1.4 -2,-0.1 -1,-0.1 -0.734 16.8-155.1 -78.7 112.7 30.5 25.9 55.8 5 13 A P T 3 S+ 0 0 31 0, 0.0 8,-0.2 0, 0.0 -1,-0.1 0.623 91.0 50.0 -68.5 -8.2 29.4 25.7 59.5 6 14 A Y T 3 S+ 0 0 90 2,-0.0 503,-0.1 503,-0.0 -2,-0.0 0.423 87.2 111.9-107.4 1.0 28.4 29.4 59.4 7 15 A S < - 0 0 3 -3,-1.4 3,-0.4 1,-0.1 2,-0.1 -0.267 64.3-117.4 -78.8 159.2 26.3 29.5 56.3 8 16 A K S S+ 0 0 17 798,-0.2 382,-0.2 1,-0.2 -1,-0.1 -0.422 89.9 42.8 -81.5 165.9 22.5 30.0 56.0 9 17 A G S S+ 0 0 0 29,-0.3 2,-0.3 1,-0.2 31,-0.2 0.762 93.3 108.9 68.3 29.5 20.1 27.4 54.6 10 18 A L - 0 0 4 -3,-0.4 26,-2.6 1,-0.1 -1,-0.2 -0.845 62.0-124.2-128.0 161.7 21.7 24.5 56.5 11 19 A G B -B 35 0B 0 24,-0.3 2,-0.3 -2,-0.3 24,-0.2 -0.149 65.6 -45.1 -79.9-166.6 21.1 22.1 59.3 12 20 A X - 0 0 77 22,-0.5 -1,-0.2 14,-0.1 22,-0.0 -0.463 54.0-159.9 -64.9 121.9 23.4 21.5 62.3 13 21 A V - 0 0 16 -2,-0.3 -1,-0.1 -8,-0.2 -3,-0.0 -0.921 5.8-170.9-111.3 103.3 27.0 21.2 60.9 14 22 A P + 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.392 62.1 21.7 -85.9 4.9 28.9 19.4 63.7 15 23 A G - 0 0 29 -12,-0.1 3,-0.3 3,-0.0 -12,-0.0 -0.939 67.7-122.3-157.0 173.7 32.4 19.9 62.4 16 24 A T S S+ 0 0 103 -2,-0.3 -14,-0.1 1,-0.2 -1,-0.0 0.446 105.2 54.3-103.0 -1.3 34.5 22.0 60.1 17 25 A S + 0 0 100 -15,-0.1 2,-0.6 2,-0.1 -1,-0.2 -0.082 66.7 135.9-124.2 32.6 35.7 19.1 57.8 18 26 A I - 0 0 29 -3,-0.3 -15,-2.9 -15,-0.3 5,-0.1 -0.744 57.0-123.6 -83.6 118.2 32.4 17.5 56.7 19 27 A Q B > -A 2 0A 100 -2,-0.6 3,-2.1 -17,-0.3 -17,-0.3 -0.347 10.3-128.2 -62.6 137.6 32.7 16.8 53.0 20 28 A L G > S+ 0 0 3 -19,-2.3 383,-1.5 1,-0.3 3,-1.1 0.859 112.7 53.5 -51.6 -38.3 29.9 18.4 50.9 21 29 A T G 3 S+ 0 0 74 -20,-0.3 3,-0.3 1,-0.2 -1,-0.3 0.531 101.2 60.0 -77.0 -9.0 29.4 15.0 49.4 22 30 A D G X + 0 0 57 -3,-2.1 3,-1.9 1,-0.2 4,-0.3 0.202 68.3 112.4-100.1 11.0 28.9 13.4 52.9 23 31 A A G X + 0 0 0 -3,-1.1 3,-2.0 1,-0.3 5,-0.4 0.822 65.2 68.0 -53.4 -36.1 26.0 15.6 53.7 24 32 A A G > S+ 0 0 51 377,-0.8 3,-1.2 -3,-0.3 -1,-0.3 0.766 88.7 65.5 -57.6 -27.9 23.7 12.6 53.7 25 33 A R G < S+ 0 0 197 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.688 90.6 63.6 -67.4 -21.0 25.4 11.3 56.8 26 34 A L G < S- 0 0 43 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.626 99.4-140.0 -79.0 -12.6 24.1 14.2 58.8 27 35 A E < + 0 0 161 -3,-1.2 2,-0.5 -4,-0.4 -3,-0.1 0.916 31.9 175.4 55.1 51.4 20.5 13.0 58.2 28 36 A W - 0 0 10 -5,-0.4 372,-2.6 372,-0.3 2,-0.5 -0.768 10.4-170.6 -86.4 129.4 18.9 16.3 57.6 29 37 A N B > > -C 399 0C 24 -2,-0.5 5,-1.6 370,-0.2 3,-0.7 -0.993 17.5-149.0-120.3 123.9 15.3 16.1 56.5 30 38 A L G > 5S+ 0 0 2 368,-2.3 3,-1.3 -2,-0.5 5,-0.3 0.876 98.2 50.1 -54.8 -42.0 13.6 19.3 55.3 31 39 A L G 3 5S+ 0 0 13 1,-0.3 304,-0.4 366,-0.2 -1,-0.2 0.726 103.6 59.7 -73.8 -21.7 10.1 18.3 56.6 32 40 A N G < 5S- 0 0 103 -3,-0.7 -1,-0.3 302,-0.1 -2,-0.2 0.394 114.5-117.0 -85.2 3.4 11.5 17.4 60.1 33 41 A E T < 5S+ 0 0 36 -3,-1.3 495,-0.5 -4,-0.2 -3,-0.2 0.820 73.2 136.1 62.1 36.9 12.7 21.1 60.4 34 42 A D < + 0 0 49 -5,-1.6 -22,-0.5 493,-0.1 2,-0.4 0.671 58.6 66.8 -76.8 -20.7 16.4 19.9 60.6 35 43 A V B S-B 11 0B 2 -6,-0.3 493,-0.4 -5,-0.3 -24,-0.3 -0.840 88.0-114.4-111.0 138.6 17.3 22.7 58.2 36 44 A S - 0 0 6 -26,-2.6 490,-0.1 -2,-0.4 -2,-0.1 -0.535 46.0-106.5 -66.2 127.7 17.3 26.5 58.8 37 45 A L S S+ 0 0 8 -2,-0.3 262,-0.2 488,-0.2 2,-0.1 -0.844 96.2 58.6 -98.9 144.1 14.8 28.4 56.6 38 46 A P S S+ 0 0 13 0, 0.0 -29,-0.3 0, 0.0 2,-0.3 0.417 77.7 161.2 -76.9 156.7 15.0 30.0 54.3 39 47 A A E -D 298 0D 0 259,-1.9 259,-2.8 -2,-0.1 2,-0.5 -0.970 39.4-129.2-139.1 151.8 16.9 27.4 52.2 40 48 A A E -D 297 0D 3 350,-0.4 352,-2.8 -2,-0.3 2,-0.5 -0.917 31.7-165.1-101.5 127.3 17.5 26.9 48.5 41 49 A V E -De 296 392D 0 255,-2.7 255,-2.3 -2,-0.5 2,-0.4 -0.949 12.6-167.5-127.9 117.3 16.6 23.4 47.6 42 50 A L E -De 295 393D 0 350,-3.3 352,-2.6 -2,-0.5 2,-0.7 -0.824 23.0-131.6 -95.8 139.4 17.5 21.5 44.4 43 51 A Y E >> - e 0 394D 21 251,-2.7 4,-2.2 -2,-0.4 3,-0.6 -0.828 11.2-151.1 -94.7 113.5 15.6 18.3 43.7 44 52 A A H 3> S+ 0 0 26 350,-2.4 4,-2.4 -2,-0.7 5,-0.2 0.868 94.1 51.4 -49.0 -48.2 18.2 15.5 42.8 45 53 A D H 3> S+ 0 0 102 349,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.866 112.5 46.3 -68.3 -31.7 15.9 13.6 40.5 46 54 A R H <> S+ 0 0 84 -3,-0.6 4,-2.3 2,-0.2 246,-0.3 0.856 110.4 51.6 -73.6 -37.2 15.0 16.7 38.5 47 55 A V H X S+ 0 0 17 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.933 114.2 45.3 -62.6 -43.4 18.6 17.9 38.2 48 56 A E H X S+ 0 0 65 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.904 110.3 53.0 -70.5 -40.2 19.5 14.5 36.9 49 57 A H H X S+ 0 0 52 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.909 110.3 48.8 -57.6 -47.1 16.5 14.3 34.5 50 58 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.905 112.1 47.4 -62.0 -44.3 17.5 17.7 33.0 51 59 A L H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.927 112.8 49.7 -61.3 -46.7 21.2 16.6 32.5 52 60 A K H X S+ 0 0 104 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.871 109.5 52.1 -61.5 -36.4 20.1 13.3 31.0 53 61 A W H X S+ 0 0 44 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.926 111.5 45.3 -65.1 -45.5 17.7 15.2 28.6 54 62 A X H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.843 110.9 55.1 -65.6 -35.7 20.5 17.5 27.4 55 63 A Q H X S+ 0 0 69 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.935 110.4 44.7 -59.6 -48.8 22.7 14.5 27.1 56 64 A A H X S+ 0 0 62 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.851 112.5 52.7 -62.6 -39.3 20.2 12.9 24.8 57 65 A F H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 6,-0.3 0.884 107.4 50.8 -63.3 -42.0 19.7 16.1 22.9 58 66 A V H X S+ 0 0 32 -4,-2.2 4,-1.8 1,-0.2 5,-0.3 0.863 110.0 50.4 -68.7 -36.5 23.4 16.5 22.2 59 67 A A H < S+ 0 0 84 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.858 111.8 48.1 -66.8 -37.5 23.5 12.9 20.9 60 68 A E H < S+ 0 0 145 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.954 126.2 25.3 -67.0 -49.1 20.6 13.5 18.6 61 69 A Y H < S- 0 0 80 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.495 94.3-129.4-100.8 -6.2 21.9 16.8 17.1 62 70 A G < + 0 0 62 -4,-1.8 2,-0.2 -5,-0.2 -3,-0.1 0.738 49.0 161.0 66.9 23.4 25.7 16.5 17.5 63 71 A V - 0 0 26 -5,-0.3 2,-0.6 -6,-0.3 -1,-0.2 -0.560 36.0-140.5 -85.1 139.7 26.0 20.0 19.2 64 72 A K E -j 265 0E 81 200,-0.6 202,-2.8 -2,-0.2 2,-0.4 -0.890 25.7-167.1 -96.6 122.5 29.0 21.0 21.3 65 73 A L E -j 266 0E 2 -2,-0.6 22,-2.6 20,-0.3 23,-1.0 -0.915 26.1-175.5-119.7 137.2 27.9 23.0 24.3 66 74 A A - 0 0 0 200,-3.1 23,-0.2 -2,-0.4 24,-0.1 -0.798 29.9-151.3-122.4 81.4 29.8 25.1 26.8 67 75 A P - 0 0 0 0, 0.0 23,-2.1 0, 0.0 2,-0.3 -0.261 22.4-102.1 -61.8 144.8 27.1 26.0 29.2 68 76 A H B -p 90 0F 39 200,-3.0 23,-0.2 21,-0.2 3,-0.2 -0.514 35.2-179.1 -62.2 123.8 27.4 29.3 31.1 69 77 A G >> + 0 0 0 21,-3.2 4,-3.1 -2,-0.3 3,-0.8 0.484 59.0 93.6-100.7 -2.3 28.6 28.7 34.7 70 78 A K T 34 S+ 0 0 44 20,-0.5 -1,-0.1 1,-0.3 21,-0.1 0.670 82.8 53.1 -65.9 -20.9 28.6 32.4 35.8 71 79 A T T 34 S+ 0 0 16 -3,-0.2 314,-0.3 1,-0.1 315,-0.3 0.751 124.0 22.2 -89.6 -29.0 25.1 32.3 37.2 72 80 A T T <4 S- 0 0 12 -3,-0.8 335,-0.2 -4,-0.1 -2,-0.2 0.692 73.4-165.5-104.9 -35.6 25.5 29.2 39.5 73 81 A X < + 0 0 0 -4,-3.1 334,-2.2 1,-0.2 -3,-0.1 0.868 41.2 138.7 44.8 46.1 29.3 29.1 40.1 74 82 A A >> - 0 0 0 332,-0.2 4,-1.9 -5,-0.2 3,-1.1 -0.879 37.6-170.1-123.8 88.4 28.8 25.6 41.4 75 83 A P H 3> S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.762 85.3 66.1 -56.1 -25.1 31.6 23.3 40.2 76 84 A Q H 3> S+ 0 0 15 329,-0.4 4,-1.6 2,-0.2 5,-0.1 0.928 108.1 41.3 -57.0 -41.5 29.8 20.2 41.6 77 85 A L H <> S+ 0 0 23 -3,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.909 110.9 56.4 -72.5 -41.3 27.1 21.0 38.9 78 86 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.923 105.9 52.1 -54.8 -45.1 29.8 21.8 36.3 79 87 A R H X S+ 0 0 86 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.914 108.7 49.3 -61.7 -43.8 31.3 18.3 36.8 80 88 A R H X S+ 0 0 71 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.886 110.1 52.2 -59.3 -41.8 27.9 16.7 36.2 81 89 A Q H <>S+ 0 0 19 -4,-2.2 5,-2.3 1,-0.2 3,-0.3 0.939 113.1 43.4 -59.8 -47.4 27.5 18.8 33.1 82 90 A L H ><5S+ 0 0 42 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.841 110.2 56.0 -67.7 -34.3 30.9 17.6 31.7 83 91 A E H 3<5S+ 0 0 121 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 108.9 48.9 -69.2 -24.6 30.3 14.0 32.8 84 92 A T T 3<5S- 0 0 14 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.053 136.4 -75.6-106.5 21.4 27.1 14.0 30.7 85 93 A G T < 5S+ 0 0 45 -3,-1.3 -20,-0.3 1,-0.3 -3,-0.2 0.424 73.2 150.2 112.8 -1.1 28.7 15.5 27.6 86 94 A A < - 0 0 17 -5,-2.3 -1,-0.3 -6,-0.1 -20,-0.2 -0.377 41.3-142.6 -58.8 140.1 29.4 19.2 27.9 87 95 A W - 0 0 25 -22,-2.6 2,-0.3 1,-0.2 -21,-0.2 0.771 70.0 -46.0 -73.0 -30.7 32.4 20.3 25.8 88 96 A G - 0 0 0 -23,-1.0 2,-0.4 21,-0.0 -1,-0.2 -0.935 64.7 -84.3-178.4-172.3 33.5 22.7 28.5 89 97 A I E - q 0 108F 0 18,-2.2 20,-2.2 -2,-0.3 2,-0.5 -0.975 29.4-140.6-120.4 131.8 32.2 25.5 30.8 90 98 A T E +pq 68 109F 0 -23,-2.1 -21,-3.2 -2,-0.4 -20,-0.5 -0.820 30.4 172.2 -89.8 129.6 31.8 29.1 29.7 91 99 A L E - q 0 110F 2 18,-2.0 20,-1.9 -2,-0.5 3,-0.1 -0.818 31.5-143.1-136.9 171.8 32.7 31.7 32.4 92 100 A A S S+ 0 0 7 -2,-0.2 2,-0.3 18,-0.2 -1,-0.1 0.753 71.1 34.5-110.7 -32.5 33.2 35.4 32.8 93 101 A T S > S- 0 0 24 1,-0.1 4,-2.1 21,-0.1 -1,-0.2 -0.884 71.4-115.6-134.8 152.7 36.1 36.3 35.1 94 102 A A H > S+ 0 0 2 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.888 117.3 57.1 -49.7 -45.4 39.6 35.1 36.1 95 103 A H H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 107.8 46.1 -54.5 -46.4 38.2 34.4 39.6 96 104 A Q H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.871 109.6 54.0 -63.2 -40.6 35.5 32.2 38.2 97 105 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.925 108.9 49.4 -57.4 -46.3 38.0 30.3 36.0 98 106 A R H X S+ 0 0 20 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.922 110.8 49.1 -59.7 -46.8 40.1 29.6 39.1 99 107 A A H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.918 113.2 47.5 -57.6 -48.1 37.1 28.3 41.1 100 108 A A H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 -2,-0.2 0.903 111.7 50.0 -62.4 -44.9 36.1 26.0 38.2 101 109 A Y H ><5S+ 0 0 74 -4,-2.9 3,-2.3 1,-0.2 -2,-0.2 0.959 109.7 50.6 -55.2 -51.5 39.6 24.8 37.8 102 110 A H H 3<5S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.795 108.3 54.6 -56.2 -34.7 39.8 24.0 41.6 103 111 A G T 3<5S- 0 0 10 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.227 128.0 -97.7 -87.4 9.3 36.5 22.1 41.2 104 112 A G T < 5 + 0 0 50 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.568 68.3 152.0 92.4 15.1 37.9 19.9 38.5 105 113 A V < - 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