==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-NOV-08 3FCA . COMPND 2 MOLECULE: CYSTEINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR F.WANG,H.LEE,G.SPRAGGON,P.G.SCHULTZ . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.7 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 . 0 0.0 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 . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.7 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 2 4 0 0 0 4 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 2 8 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 . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 119 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -59.5 38.1 28.7 11.9 2 2 A M H > + 0 0 16 1,-0.2 4,-2.2 2,-0.2 38,-0.1 0.934 360.0 54.6 -66.7 -47.3 34.6 29.9 12.4 3 3 A E H 4 S+ 0 0 19 1,-0.2 -1,-0.2 2,-0.2 444,-0.1 0.890 114.6 43.6 -49.5 -40.0 35.6 33.5 13.3 4 4 A R H 4 S+ 0 0 184 1,-0.2 -2,-0.2 443,-0.1 -1,-0.2 0.873 115.1 44.8 -78.3 -40.0 37.6 33.5 10.0 5 5 A L H < S+ 0 0 95 -4,-2.2 2,-0.2 24,-0.0 -2,-0.2 0.793 92.3 90.3 -76.8 -31.5 35.0 31.9 7.7 6 6 A I S < S- 0 0 3 -4,-2.2 2,-0.1 -5,-0.2 23,-0.1 -0.490 86.8 -0.9 -75.8 132.2 31.8 33.8 8.8 7 7 A G S S+ 0 0 9 -2,-0.2 139,-0.0 19,-0.1 138,-0.0 -0.369 72.8 103.6 91.3-170.5 31.0 37.1 7.0 8 8 A S + 0 0 81 1,-0.2 -1,-0.1 -2,-0.1 138,-0.0 0.918 57.7 170.1 55.9 48.2 32.7 39.0 4.2 9 9 A T - 0 0 3 1,-0.1 -1,-0.2 137,-0.0 17,-0.1 -0.536 30.5-107.3 -91.6 154.0 30.1 37.8 1.7 10 10 A P - 0 0 52 0, 0.0 15,-2.9 0, 0.0 2,-0.4 -0.348 19.5-141.8 -83.6 165.3 29.8 39.0 -1.9 11 11 A I E -A 24 0A 33 13,-0.3 2,-0.3 -2,-0.1 13,-0.3 -0.948 14.2-163.8-122.4 138.3 27.1 41.3 -3.5 12 12 A V E -A 23 0A 43 11,-2.5 11,-1.9 -2,-0.4 2,-0.5 -0.932 18.5-127.0-121.2 151.4 25.7 40.8 -7.0 13 13 A R E -A 22 0A 100 -2,-0.3 2,-1.6 9,-0.2 9,-0.2 -0.859 19.0-136.5 -95.3 131.2 23.7 43.1 -9.2 14 14 A L >> + 0 0 0 7,-3.2 4,-2.3 -2,-0.5 3,-2.1 -0.400 39.4 159.1 -89.5 62.5 20.5 41.6 -10.5 15 15 A D T 34 S+ 0 0 102 -2,-1.6 4,-0.4 1,-0.3 -1,-0.2 0.705 70.9 54.8 -56.7 -29.9 20.7 42.8 -14.2 16 16 A S T 34 S+ 0 0 69 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.483 123.4 27.2 -88.1 -2.4 18.4 40.2 -15.6 17 17 A I T <4 S- 0 0 36 -3,-2.1 2,-0.3 4,-0.1 -2,-0.2 0.670 141.4 -25.9-115.8 -69.8 15.7 41.3 -13.1 18 18 A D >< - 0 0 25 -4,-2.3 3,-2.2 3,-0.2 -4,-0.4 -0.872 49.6-147.5-152.5 118.4 16.3 45.0 -12.2 19 19 A S T 3 S+ 0 0 54 -4,-0.4 -4,-0.2 -2,-0.3 -3,-0.0 0.454 96.4 66.7 -71.2 -0.2 19.7 46.5 -12.5 20 20 A R T 3 S+ 0 0 39 -6,-0.2 256,-2.8 255,-0.1 2,-0.4 0.556 84.1 90.3 -89.0 -13.6 19.0 48.8 -9.5 21 21 A I E < - b 0 276A 0 -3,-2.2 -7,-3.2 -7,-0.2 2,-0.2 -0.829 56.7-168.9 -97.4 126.3 18.8 45.8 -7.2 22 22 A X E -Ab 13 277A 55 254,-2.6 256,-2.2 -2,-0.4 2,-0.4 -0.597 9.7-158.6-123.3 127.3 22.1 44.5 -5.2 23 23 A L E -Ab 12 278A 0 -11,-1.9 -11,-2.5 -2,-0.2 2,-0.5 -0.909 8.4-146.5-108.7 119.8 21.8 41.2 -3.5 24 24 A K E -Ab 11 279A 0 254,-2.7 256,-3.5 -2,-0.4 2,-1.1 -0.778 17.9-140.9 -83.3 123.5 24.2 40.2 -0.6 25 25 A L E > + b 0 280A 11 -15,-2.9 3,-1.2 -2,-0.5 4,-0.1 -0.681 27.9 171.2 -96.5 89.5 24.8 36.5 -0.8 26 26 A E G > + 0 0 0 254,-1.7 3,-1.8 -2,-1.1 -1,-0.2 0.579 63.0 85.8 -78.4 -8.8 24.8 35.1 2.7 27 27 A K G 3 S+ 0 0 69 253,-0.4 -1,-0.3 1,-0.3 5,-0.2 0.648 74.0 77.0 -63.0 -16.3 24.8 31.4 1.6 28 28 A N G < S+ 0 0 94 -3,-1.2 -1,-0.3 -18,-0.1 -2,-0.1 0.632 70.8 102.6 -69.2 -17.1 28.6 31.9 1.3 29 29 A N S X S- 0 0 4 -3,-1.8 3,-2.3 1,-0.1 -23,-0.1 -0.326 89.9-112.5 -63.2 151.9 28.9 31.6 5.1 30 30 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.1 0, 0.0 -24,-0.1 0.804 119.3 50.9 -65.3 -25.1 30.1 28.1 6.2 31 31 A G T 3 S- 0 0 6 2,-0.3 4,-0.1 3,-0.0 -3,-0.1 0.372 117.5-115.0 -85.0 2.4 26.6 27.3 7.8 32 32 A G S < S+ 0 0 7 -3,-2.3 251,-0.8 -5,-0.2 2,-0.3 0.592 81.3 68.7 75.5 13.3 25.0 28.3 4.5 33 33 A S B > S-F 282 0B 0 249,-0.2 3,-1.3 -7,-0.1 -2,-0.3 -0.984 88.0-103.5-152.8 170.6 23.1 31.4 5.9 34 34 A V T > S+ 0 0 5 247,-2.4 3,-1.8 -2,-0.3 248,-0.1 0.781 106.2 78.4 -56.7 -28.7 23.1 34.9 7.3 35 35 A K T 3> S+ 0 0 22 246,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.623 70.7 80.4 -69.6 -13.2 22.5 33.4 10.7 36 36 A D H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 -1,-0.3 0.845 90.4 55.5 -52.0 -39.5 26.2 32.4 11.1 37 37 A R H <> S+ 0 0 1 -3,-1.8 4,-2.4 -4,-0.2 5,-0.2 0.989 112.0 37.0 -64.8 -60.8 26.9 36.0 12.1 38 38 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.874 116.1 55.9 -61.2 -35.0 24.5 36.5 15.0 39 39 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.942 108.5 47.2 -59.5 -48.8 25.1 32.9 16.1 40 40 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.952 114.7 46.3 -57.5 -50.8 28.9 33.5 16.4 41 41 A F H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.942 113.5 46.6 -60.1 -50.4 28.3 36.8 18.3 42 42 A M H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.877 114.4 49.2 -60.1 -36.0 25.8 35.4 20.8 43 43 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.938 109.6 49.0 -71.9 -46.7 28.0 32.3 21.4 44 44 A L H X S+ 0 0 20 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.873 112.7 50.3 -59.7 -39.6 31.2 34.2 22.0 45 45 A D H X S+ 0 0 8 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.953 111.2 46.6 -60.5 -51.8 29.4 36.5 24.4 46 46 A A H <>S+ 0 0 1 -4,-2.2 5,-2.7 1,-0.2 6,-0.4 0.843 111.6 52.5 -64.1 -36.0 27.8 33.5 26.4 47 47 A E H ><5S+ 0 0 53 -4,-2.5 3,-1.4 3,-0.2 -1,-0.2 0.927 108.6 48.7 -59.9 -50.4 31.2 31.7 26.6 48 48 A K H 3<5S+ 0 0 134 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.804 111.1 51.4 -67.7 -25.9 33.0 34.8 28.0 49 49 A R T 3<5S- 0 0 127 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.504 114.5-119.9 -86.2 -3.5 30.3 35.2 30.6 50 50 A G T < 5S+ 0 0 60 -3,-1.4 3,-0.3 -4,-0.3 -3,-0.2 0.838 72.1 130.8 72.1 37.0 30.6 31.5 31.6 51 51 A L < + 0 0 60 -5,-2.7 3,-0.4 1,-0.2 -4,-0.2 0.504 51.0 72.8 -98.5 -7.4 27.1 30.5 30.7 52 52 A L > + 0 0 15 -6,-0.4 3,-2.1 1,-0.2 26,-0.2 0.176 48.5 120.0-105.1 17.9 27.7 27.4 28.6 53 53 A K T 3 S+ 0 0 195 -3,-0.3 -1,-0.2 1,-0.3 74,-0.1 0.860 92.4 32.1 -42.6 -42.4 28.8 24.8 31.2 54 54 A N T 3 S- 0 0 78 72,-0.4 -1,-0.3 -3,-0.4 73,-0.1 0.174 117.4-114.9-106.9 15.8 25.7 22.7 30.0 55 55 A G < - 0 0 3 -3,-2.1 73,-2.9 72,-0.1 2,-0.4 -0.410 40.6 -55.3 88.7-161.9 25.7 23.7 26.4 56 56 A I E -gh 79 128C 0 22,-2.9 24,-3.0 71,-0.3 2,-0.4 -0.948 32.7-174.6-127.9 136.8 23.1 25.6 24.4 57 57 A V E +g 80 0C 0 71,-2.1 73,-0.4 -2,-0.4 74,-0.3 -0.998 18.9 167.6-126.4 130.0 19.4 25.2 23.7 58 58 A E E -g 81 0C 0 22,-2.1 24,-1.6 -2,-0.4 2,-0.2 -0.998 32.7-127.6-142.3 137.4 17.8 27.6 21.2 59 59 A P E +g 82 0C 0 0, 0.0 2,-0.3 0, 0.0 73,-0.2 -0.517 39.5 176.4 -74.1 152.6 14.4 27.7 19.4 60 60 A T - 0 0 1 22,-2.2 54,-0.0 -2,-0.2 -2,-0.0 -0.998 49.6-144.9-156.7 153.2 14.7 28.1 15.6 61 61 A S S S- 0 0 20 -2,-0.3 30,-0.1 22,-0.2 22,-0.1 0.441 81.8 -85.6 -90.3 -5.7 12.9 28.3 12.3 62 62 A G S > S+ 0 0 0 25,-0.1 4,-2.0 29,-0.1 5,-0.1 -0.346 114.4 68.7 143.6 -57.6 16.1 26.5 11.0 63 63 A N H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.861 99.8 48.0 -67.4 -42.3 19.0 28.7 10.1 64 64 A M H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.909 113.1 52.1 -64.7 -38.8 20.0 30.1 13.5 65 65 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.899 108.7 48.8 -63.1 -42.1 19.9 26.5 14.7 66 66 A I H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.931 112.7 48.4 -62.2 -46.8 22.1 25.3 11.9 67 67 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.925 113.6 46.4 -57.7 -49.5 24.6 28.1 12.7 68 68 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.920 113.1 50.0 -61.2 -43.2 24.6 27.4 16.4 69 69 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.883 111.3 48.8 -60.9 -42.9 25.0 23.6 15.7 70 70 A M H X S+ 0 0 15 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.928 115.1 42.5 -64.6 -47.9 27.9 24.2 13.4 71 71 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.907 115.2 51.1 -68.0 -40.1 29.8 26.5 15.7 72 72 A G H X>S+ 0 0 1 -4,-2.9 5,-2.1 -5,-0.3 4,-1.9 0.875 106.4 55.1 -61.5 -41.1 29.0 24.2 18.7 73 73 A A H <5S+ 0 0 60 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.889 115.6 38.6 -58.3 -40.8 30.3 21.2 16.7 74 74 A K H <5S+ 0 0 120 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.922 120.8 42.4 -78.0 -45.1 33.6 23.0 16.2 75 75 A R H <5S- 0 0 74 -4,-3.1 -2,-0.2 -5,-0.1 -3,-0.2 0.625 113.7-110.9 -81.9 -12.9 34.0 24.6 19.6 76 76 A G T <5 + 0 0 65 -4,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.793 64.4 145.1 89.9 31.3 32.8 21.6 21.6 77 77 A H < - 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0 0 4 1,-0.1 3,-1.1 -2,-0.1 4,-0.7 -0.066 36.7-126.0 -51.4 141.4 11.8 22.2 5.6 89 89 A V H 3> S+ 0 0 76 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.759 105.5 72.3 -64.1 -23.3 13.0 18.6 6.3 90 90 A E H 3> S+ 0 0 35 196,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.891 91.4 58.5 -55.9 -41.6 16.5 19.6 5.1 91 91 A R H <> S+ 0 0 0 -3,-1.1 4,-2.2 195,-0.3 -1,-0.2 0.929 105.0 48.8 -51.4 -51.5 16.9 21.7 8.3 92 92 A R H X S+ 0 0 79 -4,-0.7 4,-1.9 1,-0.2 -1,-0.2 0.885 111.8 49.2 -58.0 -44.8 16.3 18.6 10.5 93 93 A K H X S+ 0 0 112 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.893 109.8 50.5 -64.7 -43.0 18.8 16.5 8.5 94 94 A V H X S+ 0 0 27 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.917 108.5 52.3 -60.2 -45.4 21.5 19.2 8.6 95 95 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 -1,-0.2 0.913 111.0 48.0 -58.9 -42.4 21.2 19.5 12.4 96 96 A K H ><5S+ 0 0 150 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.914 108.4 53.3 -64.2 -44.2 21.6 15.8 12.7 97 97 A M H 3<5S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.842 107.7 52.9 -58.6 -34.9 24.7 15.8 10.4 98 98 A L T 3<5S- 0 0 53 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.465 117.9-115.8 -81.1 -0.8 26.1 18.4 12.7 99 99 A G T < 5 + 0 0 64 -3,-1.8 -20,-0.3 1,-0.3 2,-0.2 0.733 67.8 141.2 73.2 22.5 25.6 16.2 15.8 100 100 A A < - 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