==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-AUG-09 3IQI . COMPND 2 MOLECULE: CYSTEINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR S.L.RODERICK . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.5 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 . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.5 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 0 0 0 1 2 1 0 0 1 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 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 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 X A 0 0 138 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.1 -0.8 -9.9 14.9 2 3 X I - 0 0 169 2,-0.0 2,-0.2 0, 0.0 7,-0.0 -0.957 360.0-132.9-112.6 119.4 -0.8 -12.4 17.8 3 4 X Y - 0 0 120 -2,-0.5 3,-0.1 1,-0.1 6,-0.1 -0.505 7.2-138.0 -75.5 136.3 2.4 -12.3 20.0 4 5 X A S S- 0 0 92 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.790 85.2 -8.4 -66.2 -29.4 3.8 -15.7 20.8 5 6 X D S > S- 0 0 36 78,-0.0 3,-1.3 1,-0.0 4,-0.4 -0.934 84.4 -91.0-156.5 170.4 4.5 -14.6 24.4 6 7 X N G > S+ 0 0 79 -2,-0.3 3,-1.2 1,-0.3 4,-0.1 0.766 116.4 68.2 -62.9 -24.9 4.3 -11.3 26.3 7 8 X S G > S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.860 94.8 55.7 -63.0 -33.6 7.9 -10.5 25.6 8 9 X Y G < S+ 0 0 96 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.669 93.8 71.3 -72.0 -14.2 7.2 -10.0 21.9 9 10 X S G < S+ 0 0 31 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.385 71.8 132.1 -85.3 3.2 4.5 -7.4 22.7 10 11 X I < - 0 0 13 -3,-1.1 25,-0.1 -4,-0.1 30,-0.1 -0.106 56.5 -4.9 -55.0 149.1 7.0 -4.8 23.8 11 12 X G + 0 0 9 21,-0.1 145,-0.0 1,-0.1 144,-0.0 -0.275 54.0 129.3 80.4-153.1 6.9 -1.2 22.6 12 13 X N + 0 0 111 1,-0.2 -1,-0.1 -2,-0.0 144,-0.0 0.894 49.4 174.7 55.0 44.6 4.7 0.6 20.1 13 14 X T - 0 0 2 1,-0.1 -1,-0.2 17,-0.0 19,-0.1 -0.501 27.1-108.2 -85.1 148.0 4.1 3.2 22.8 14 15 X P - 0 0 34 0, 0.0 17,-2.4 0, 0.0 2,-0.5 -0.383 14.2-134.5 -84.6 157.5 2.1 6.4 22.0 15 16 X L E -A 30 0A 41 15,-0.2 2,-0.4 -2,-0.1 15,-0.2 -0.904 22.7-170.6-102.2 131.0 3.1 10.0 21.6 16 17 X V E -A 29 0A 58 13,-2.6 13,-2.9 -2,-0.5 2,-0.3 -0.992 19.3-130.1-126.9 130.1 0.9 12.6 23.3 17 18 X R E -A 28 0A 149 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.590 24.3-129.9 -79.3 133.7 1.1 16.3 22.8 18 19 X L - 0 0 2 9,-2.7 9,-0.3 -2,-0.3 7,-0.1 -0.661 19.4-172.3 -85.2 143.3 1.2 18.4 26.1 19 20 X K S S+ 0 0 175 -2,-0.3 6,-0.1 244,-0.1 -1,-0.1 0.746 83.8 40.8-101.4 -31.5 -1.1 21.3 26.6 20 21 X H S S+ 0 0 91 239,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.224 111.8 60.9-106.7 11.3 0.2 22.9 29.8 21 22 X F S S+ 0 0 5 6,-0.1 6,-0.3 262,-0.0 4,-0.3 -0.913 92.0 15.4-131.9 158.0 3.8 22.5 29.1 22 23 X G S S- 0 0 16 -2,-0.3 2,-0.5 4,-0.1 262,-0.1 -0.127 88.6 -70.0 74.1-171.2 5.9 23.8 26.2 23 24 X H S > S- 0 0 84 260,-0.2 3,-0.8 265,-0.2 -1,-0.1 -0.986 104.1 -16.6-127.6 119.0 5.2 26.6 23.8 24 25 X N T 3 S- 0 0 149 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.876 126.4 -54.3 52.0 42.8 2.5 26.2 21.1 25 26 X G T 3 S+ 0 0 18 -4,-0.3 -1,-0.2 -6,-0.1 -3,-0.1 0.717 94.3 140.2 72.6 25.3 2.5 22.4 21.5 26 27 X N < + 0 0 10 -3,-0.8 267,-3.0 257,-0.1 2,-0.5 0.470 52.1 78.5 -81.0 0.2 6.3 21.9 21.0 27 28 X V E + b 0 293A 0 -6,-0.3 -9,-2.7 -9,-0.3 2,-0.4 -0.944 55.3 174.0-114.9 123.1 6.5 19.2 23.7 28 29 X V E -Ab 17 294A 9 265,-3.1 267,-2.6 -2,-0.5 2,-0.4 -0.959 16.7-146.6-124.3 142.6 5.3 15.7 23.0 29 30 X V E -Ab 16 295A 0 -13,-2.9 -13,-2.6 -2,-0.4 2,-0.6 -0.868 6.4-142.8-118.8 143.2 5.7 12.7 25.4 30 31 X K E -Ab 15 296A 0 265,-2.9 267,-2.6 -2,-0.4 2,-1.3 -0.930 20.5-139.7-104.9 118.4 6.3 9.0 24.7 31 32 X I E > + b 0 297A 27 -17,-2.4 3,-1.5 -2,-0.6 265,-0.1 -0.624 28.1 170.8 -87.8 86.9 4.3 6.8 27.2 32 33 X E T 3 + 0 0 0 265,-1.9 10,-0.2 -2,-1.3 -1,-0.2 0.574 67.3 81.1 -77.4 -8.1 6.6 3.9 28.2 33 34 X G T 3 S+ 0 0 6 264,-0.4 2,-1.6 266,-0.3 -1,-0.3 0.714 74.0 82.4 -61.8 -23.1 4.2 2.9 30.9 34 35 X R S < S+ 0 0 167 -3,-1.5 -1,-0.2 -20,-0.1 -23,-0.1 -0.607 72.9 104.8 -87.0 78.3 2.2 1.2 28.1 35 36 X N S > S- 0 0 11 -2,-1.6 3,-1.7 -25,-0.1 -25,-0.1 -0.936 88.8 -84.5-150.6 165.1 4.3 -2.0 28.0 36 37 X P T 3 S+ 0 0 18 0, 0.0 -29,-0.1 0, 0.0 -3,-0.0 0.810 131.0 20.1 -51.2 -41.0 4.0 -5.7 29.2 37 38 X S T 3 S- 0 0 8 2,-0.3 4,-0.1 34,-0.0 3,-0.1 0.022 118.9-104.3-118.6 25.8 5.2 -4.9 32.7 38 39 X Y S < S+ 0 0 145 -3,-1.7 262,-0.7 1,-0.2 2,-0.3 0.692 85.4 78.5 72.6 28.5 4.4 -1.2 32.5 39 40 X S B > S-F 299 0B 0 260,-0.2 3,-1.4 32,-0.1 4,-0.3 -0.978 87.1-102.1-151.4 170.5 7.8 0.5 32.1 40 41 X V T >> S+ 0 0 1 258,-2.6 3,-1.6 -2,-0.3 4,-0.6 0.803 112.2 73.3 -57.7 -30.5 10.5 1.2 29.5 41 42 X X H 3> S+ 0 0 5 257,-0.3 4,-2.9 1,-0.3 5,-0.3 0.701 75.1 78.7 -63.7 -22.1 12.6 -1.6 31.0 42 43 X C H <> S+ 0 0 0 -3,-1.4 4,-2.3 1,-0.2 -1,-0.3 0.874 91.2 55.3 -49.9 -39.0 10.2 -4.2 29.4 43 44 X R H <> S+ 0 0 0 -3,-1.6 4,-2.4 -4,-0.3 -1,-0.2 0.913 112.9 38.7 -62.8 -45.9 12.1 -3.5 26.1 44 45 X I H X S+ 0 0 0 -4,-0.6 4,-2.5 -3,-0.2 5,-0.3 0.783 111.4 57.3 -80.2 -29.5 15.5 -4.3 27.6 45 46 X G H X S+ 0 0 0 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.955 113.1 43.3 -61.2 -45.6 14.3 -7.2 29.7 46 47 X A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.967 117.7 43.0 -61.6 -53.7 13.0 -8.8 26.5 47 48 X N H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.847 110.0 54.1 -70.6 -34.4 16.1 -8.0 24.4 48 49 X M H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.928 114.2 43.5 -61.8 -42.1 18.7 -9.0 26.9 49 50 X V H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.959 114.7 49.5 -65.3 -50.3 17.0 -12.4 27.3 50 51 X W H X S+ 0 0 27 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.894 113.0 46.4 -55.8 -44.8 16.6 -12.7 23.5 51 52 X Q H X S+ 0 0 72 -4,-3.0 4,-2.3 2,-0.2 6,-0.2 0.875 109.7 53.2 -69.8 -37.1 20.2 -11.8 22.8 52 53 X A H <>S+ 0 0 4 -4,-2.0 6,-1.9 -5,-0.2 5,-1.3 0.881 110.8 49.2 -63.5 -37.8 21.5 -14.2 25.5 53 54 X E H ><5S+ 0 0 49 -4,-2.3 3,-1.1 4,-0.2 -2,-0.2 0.954 111.1 48.6 -60.1 -50.3 19.4 -16.9 23.7 54 55 X K H 3<5S+ 0 0 147 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.839 114.5 44.5 -63.5 -36.6 20.8 -16.1 20.3 55 56 X D T 3<5S- 0 0 94 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.434 112.6-117.8 -90.9 1.9 24.5 -16.1 21.5 56 57 X G T < 5S+ 0 0 45 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.511 84.1 114.9 80.4 6.0 24.0 -19.3 23.5 57 58 X T S - 0 0 67 -2,-0.5 3,-2.2 -3,-0.1 -6,-0.0 -0.855 48.3 -66.0-131.0 166.0 19.8 -22.0 27.4 60 61 X K T 3 S+ 0 0 203 -2,-0.3 3,-0.1 1,-0.3 25,-0.1 -0.275 122.7 18.6 -52.4 131.8 16.8 -24.1 28.7 61 62 X G T 3 S+ 0 0 73 1,-0.4 -1,-0.3 23,-0.3 2,-0.1 0.133 93.4 122.7 90.4 -20.4 17.2 -24.8 32.4 62 63 X K < - 0 0 44 -3,-2.2 24,-0.5 75,-0.1 2,-0.4 -0.406 57.6-131.9 -68.0 152.1 19.8 -22.0 33.0 63 64 X E E -gh 86 137C 20 73,-3.0 75,-2.3 22,-0.1 2,-0.3 -0.922 5.1-131.6-116.5 135.4 18.7 -19.6 35.6 64 65 X I E -gh 87 138C 0 22,-2.4 24,-2.8 -2,-0.4 2,-0.4 -0.615 24.6-171.8 -80.4 138.4 18.7 -15.8 35.5 65 66 X V E +g 88 0C 0 73,-2.7 75,-0.5 -2,-0.3 2,-0.3 -0.993 13.6 151.7-130.1 138.0 20.2 -13.9 38.5 66 67 X D E -g 89 0C 13 22,-1.8 24,-2.6 -2,-0.4 73,-0.0 -0.980 42.7-136.5-156.9 167.9 20.2 -10.2 39.2 67 68 X A + 0 0 6 -2,-0.3 2,-0.5 22,-0.2 56,-0.1 -0.069 69.4 107.9-117.2 26.8 20.3 -7.6 42.0 68 69 X T + 0 0 2 1,-0.1 246,-0.1 246,-0.1 -2,-0.1 -0.923 30.5 168.1-107.1 132.6 17.6 -5.3 40.7 69 70 X S + 0 0 0 -2,-0.5 -1,-0.1 4,-0.1 34,-0.1 0.167 61.2 86.5-118.6 12.3 14.2 -5.0 42.3 70 71 X G S > S- 0 0 5 3,-0.0 4,-2.3 4,-0.0 3,-0.3 0.028 109.8 -53.9 -88.9-155.2 13.3 -1.9 40.3 71 72 X N H > S+ 0 0 9 244,-0.3 4,-2.6 1,-0.2 5,-0.1 0.848 137.3 53.3 -58.4 -36.6 11.8 -1.7 36.8 72 73 X T H > S+ 0 0 0 243,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.911 108.2 49.8 -64.1 -43.0 14.6 -3.9 35.3 73 74 X G H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.919 112.6 47.5 -59.1 -45.5 13.9 -6.6 37.9 74 75 X I H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.929 113.0 49.3 -61.8 -43.6 10.2 -6.5 37.2 75 76 X A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.928 111.8 47.0 -61.0 -50.6 10.9 -6.6 33.4 76 77 X L H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.884 110.2 56.2 -59.2 -38.7 13.3 -9.6 33.8 77 78 X A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.934 108.9 43.5 -61.4 -48.7 10.6 -11.3 36.0 78 79 X Y H X S+ 0 0 12 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.913 115.9 49.0 -66.6 -36.0 7.8 -11.1 33.4 79 80 X V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 6,-0.2 0.935 110.5 50.1 -68.4 -43.1 10.2 -12.2 30.6 80 81 X A H X>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 4,-0.8 0.922 114.6 45.3 -57.3 -47.1 11.5 -15.1 32.7 81 82 X A H ><5S+ 0 0 61 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.926 113.6 48.9 -62.8 -47.3 7.9 -16.2 33.4 82 83 X A H 3<5S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.807 119.3 38.3 -61.8 -31.4 6.8 -15.7 29.7 83 84 X R H 3<5S- 0 0 60 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.339 114.3-108.2-109.8 4.5 9.8 -17.7 28.4 84 85 X G T <<5 + 0 0 68 -4,-0.8 2,-0.3 -3,-0.6 -23,-0.3 0.693 67.9 140.9 81.8 22.1 9.9 -20.5 31.0 85 86 X Y < - 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