==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-MAR-07 2UXT . COMPND 2 MOLECULE: PROTEIN SUFI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.TARRY,P.ROVERSI,F.SARGENT,B.C.BERKS,S.M.LEA . 842 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 555 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 219 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 111 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 2.9 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+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 4 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 RESIDUES PER ALPHA HELIX . 6 1 1 5 3 3 1 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 . 12 7 9 9 1 5 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 6 0 0 2 1 0 1 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 30 A Q 0 0 234 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.3 -17.3 26.0 -0.8 2 31 A Q - 0 0 42 1,-0.1 188,-0.1 189,-0.0 0, 0.0 -0.369 360.0-116.6 -86.9 166.7 -17.8 22.3 -1.4 3 32 A Q - 0 0 111 186,-0.5 189,-2.2 187,-0.1 -1,-0.1 -0.650 38.5 -87.5-101.3 159.0 -17.7 20.4 -4.7 4 33 A P B -a 192 0A 78 0, 0.0 189,-0.2 0, 0.0 -1,-0.1 -0.356 46.7-101.9 -66.7 144.8 -20.6 18.5 -6.3 5 34 A L - 0 0 12 187,-2.5 2,-0.2 273,-0.1 189,-0.1 -0.502 38.8-124.3 -64.8 123.2 -21.1 14.8 -5.3 6 35 A P - 0 0 40 0, 0.0 182,-0.1 0, 0.0 -1,-0.1 -0.505 18.7-145.9 -70.1 137.8 -19.7 12.7 -8.2 7 36 A V - 0 0 53 -2,-0.2 3,-0.1 146,-0.1 146,-0.0 -0.923 14.8-131.8-107.5 111.5 -22.4 10.3 -9.5 8 37 A P - 0 0 7 0, 0.0 38,-0.0 0, 0.0 39,-0.0 -0.340 34.4-101.1 -59.7 140.1 -20.8 7.0 -10.6 9 38 A P - 0 0 60 0, 0.0 40,-2.3 0, 0.0 2,-0.5 -0.358 35.9-114.8 -63.6 142.7 -22.1 6.1 -14.1 10 39 A L E -e 49 0B 53 38,-0.2 2,-0.6 138,-0.1 40,-0.2 -0.693 29.7-162.5 -80.8 124.5 -24.8 3.4 -14.0 11 40 A L E +e 50 0B 38 38,-3.4 40,-2.1 -2,-0.5 2,-0.3 -0.923 26.2 142.8-114.6 110.4 -23.6 0.2 -15.7 12 41 A E - 0 0 77 -2,-0.6 40,-0.1 38,-0.2 38,-0.0 -0.935 34.7-152.6-139.9 163.9 -26.4 -2.2 -16.7 13 42 A S + 0 0 36 38,-0.5 2,-0.5 -2,-0.3 -1,-0.2 0.828 20.5 164.2 -99.6 -84.5 -27.1 -4.6 -19.5 14 43 A R S S+ 0 0 217 3,-0.1 -1,-0.1 1,-0.1 38,-0.0 -0.231 73.9 71.7 88.3 -42.7 -30.8 -5.4 -20.3 15 44 A R S S- 0 0 210 -2,-0.5 -1,-0.1 2,-0.1 -2,-0.0 0.157 116.8-107.2 -88.7 18.7 -29.8 -6.8 -23.8 16 45 A G S S+ 0 0 61 1,-0.2 43,-0.1 43,-0.0 -1,-0.0 0.574 79.5 137.5 67.2 7.9 -28.3 -9.9 -22.1 17 46 A Q - 0 0 116 1,-0.1 42,-0.3 41,-0.1 -1,-0.2 -0.471 57.7 -89.6 -86.5 158.9 -24.9 -8.4 -23.1 18 47 A P - 0 0 37 0, 0.0 2,-0.6 0, 0.0 42,-0.2 -0.235 25.0-129.4 -68.3 152.8 -21.8 -8.3 -20.9 19 48 A L E -i 60 0C 2 40,-2.8 42,-2.7 -8,-0.1 2,-0.6 -0.900 25.6-142.9-100.8 116.1 -20.8 -5.5 -18.4 20 49 A F E -i 61 0C 120 -2,-0.6 2,-0.5 40,-0.2 42,-0.2 -0.734 19.8-178.0 -87.7 121.4 -17.2 -4.5 -19.1 21 50 A M E -i 62 0C 0 40,-2.8 42,-2.4 -2,-0.6 2,-0.7 -0.888 4.1-171.5-122.4 101.4 -15.1 -3.7 -16.1 22 51 A T E -i 63 0C 30 -2,-0.5 20,-2.9 40,-0.2 2,-0.6 -0.822 14.2-148.4 -96.9 116.0 -11.5 -2.6 -16.7 23 52 A V E +iJ 64 41C 0 40,-3.2 42,-3.0 -2,-0.7 2,-0.3 -0.706 45.8 130.0 -79.2 118.9 -9.4 -2.3 -13.5 24 53 A Q E - J 0 40C 47 16,-2.1 16,-1.6 -2,-0.6 19,-0.2 -0.988 62.9 -66.2-162.9 170.3 -7.0 0.6 -14.2 25 54 A R E - J 0 39C 125 40,-0.4 14,-0.3 -2,-0.3 2,-0.1 -0.397 60.9-112.3 -63.2 140.7 -5.4 3.8 -13.2 26 55 A A - 0 0 4 12,-2.7 12,-0.2 1,-0.1 18,-0.2 -0.411 36.0 -93.8 -74.6 154.9 -8.0 6.6 -13.1 27 56 A H > - 0 0 94 16,-2.6 3,-2.2 1,-0.1 4,-0.5 -0.371 32.9-117.8 -63.8 148.0 -7.8 9.4 -15.7 28 57 A W G > S+ 0 0 224 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.889 116.0 63.9 -54.4 -37.8 -5.9 12.4 -14.3 29 58 A S G 3 S+ 0 0 109 1,-0.3 -1,-0.3 5,-0.0 -2,-0.1 0.621 106.6 41.6 -62.7 -15.1 -9.1 14.3 -14.8 30 59 A F G < S+ 0 0 82 -3,-2.2 -1,-0.3 13,-0.2 -2,-0.2 0.331 99.3 101.4-108.6 -1.1 -10.8 12.1 -12.1 31 60 A T < - 0 0 19 -3,-1.8 2,-0.4 -4,-0.5 6,-0.1 -0.763 68.6-118.8 -95.8 131.8 -7.7 12.2 -9.9 32 61 A P S S- 0 0 33 0, 0.0 2,-0.2 0, 0.0 134,-0.1 -0.916 76.3 -1.7-112.9 138.2 -7.3 14.3 -6.8 33 62 A G S S- 0 0 28 132,-0.5 133,-0.2 -2,-0.4 -2,-0.1 -0.299 94.3 -87.5 -90.7 -79.8 -5.4 16.3 -6.3 34 63 A T S S+ 0 0 107 131,-0.4 3,-0.1 -2,-0.2 132,-0.1 -0.181 100.5 32.6-152.8 56.6 -2.8 16.9 -9.0 35 64 A R S S+ 0 0 182 1,-0.6 2,-0.2 -7,-0.1 -2,-0.0 0.107 96.0 65.3-165.2 -62.5 0.3 14.7 -8.9 36 65 A A S S- 0 0 37 1,-0.1 -1,-0.6 -8,-0.0 2,-0.1 -0.495 75.2-123.7 -80.4 149.4 -0.2 11.2 -7.5 37 66 A S - 0 0 54 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.427 20.5-164.4 -89.1 163.2 -2.4 8.6 -9.3 38 67 A V - 0 0 5 -12,-0.2 -12,-2.7 -2,-0.1 2,-0.2 -0.854 14.6-124.0-137.3 171.0 -5.4 6.7 -8.0 39 68 A W E +J 25 0C 22 87,-3.1 7,-1.8 -2,-0.3 2,-0.3 -0.665 36.6 129.5-116.3 175.6 -7.3 3.6 -9.2 40 69 A G E -Jk 24 46C 0 -16,-1.6 -16,-2.1 5,-0.3 2,-0.4 -0.958 53.6 -60.7 173.9-157.9 -10.8 2.6 -10.2 41 70 A I E > S-J 23 0C 0 5,-2.5 3,-1.7 -2,-0.3 -18,-0.2 -0.958 104.8 -5.3-119.5 136.8 -12.8 1.0 -12.9 42 71 A N T 3 S- 0 0 64 -20,-2.9 -1,-0.1 -2,-0.4 -19,-0.1 0.727 131.7 -47.7 55.3 31.7 -13.1 2.2 -16.5 43 72 A G T 3 S+ 0 0 0 -21,-0.4 -16,-2.6 1,-0.3 -1,-0.3 0.337 112.5 111.6 96.3 -7.3 -11.0 5.4 -16.0 44 73 A R S < S- 0 0 40 -3,-1.7 2,-0.5 -18,-0.2 -1,-0.3 -0.478 77.8-107.7 -94.9 167.3 -12.8 6.6 -12.9 45 74 A Y S S- 0 0 12 -5,-0.2 -5,-0.3 -2,-0.1 82,-0.1 -0.837 104.3 -6.3 -85.9 127.4 -11.6 6.9 -9.2 46 75 A L B S-k 40 0C 6 -7,-1.8 -5,-2.5 -2,-0.5 -2,-0.2 -0.296 107.5 -81.4 68.7-166.0 -13.6 4.0 -7.8 47 76 A G - 0 0 1 82,-1.4 84,-0.4 -7,-0.3 -5,-0.1 -0.764 39.8 -79.0-131.8 177.8 -16.1 2.4 -10.3 48 77 A P - 0 0 3 0, 0.0 2,-0.7 0, 0.0 -38,-0.2 -0.248 49.6-102.0 -71.0 163.3 -19.5 2.7 -11.9 49 78 A T E -e 10 0B 0 -40,-2.3 -38,-3.4 81,-0.1 2,-0.2 -0.775 36.5-148.0 -89.8 114.6 -22.6 1.6 -10.1 50 79 A I E -ef 11 132B 0 81,-2.2 83,-3.5 -2,-0.7 2,-0.4 -0.590 11.7-164.4 -80.1 142.8 -23.7 -1.8 -11.5 51 80 A R E + f 0 133B 47 -40,-2.1 -38,-0.5 -2,-0.2 2,-0.3 -0.983 13.9 166.4-132.2 124.2 -27.4 -2.5 -11.6 52 81 A V E - f 0 134B 4 81,-3.0 83,-2.6 -2,-0.4 2,-0.4 -0.859 26.9-125.1-129.6 165.8 -28.8 -5.9 -12.1 53 82 A W E > - f 0 135B 64 -2,-0.3 3,-2.5 81,-0.2 50,-0.2 -0.926 30.3-103.1-117.9 139.0 -32.2 -7.5 -11.7 54 83 A K T 3 S+ 0 0 93 81,-2.9 50,-0.2 -2,-0.4 3,-0.1 -0.318 113.0 32.6 -52.5 129.2 -33.3 -10.5 -9.7 55 84 A G T 3 S+ 0 0 48 48,-3.0 -1,-0.3 1,-0.4 2,-0.1 0.282 93.3 122.8 101.4 -10.1 -33.6 -13.4 -12.2 56 85 A D < - 0 0 55 -3,-2.5 47,-2.9 47,-0.1 2,-0.6 -0.474 55.0-147.4 -81.4 159.0 -30.9 -12.1 -14.5 57 86 A D E -M 102 0D 95 45,-0.2 2,-0.4 -2,-0.1 -3,-0.0 -0.944 29.2-158.4-123.5 95.4 -27.8 -14.1 -15.4 58 87 A V E -M 101 0D 4 43,-2.7 43,-3.4 -2,-0.6 2,-0.7 -0.715 12.8-146.6 -90.6 132.3 -25.2 -11.4 -15.8 59 88 A K E -M 100 0D 75 -2,-0.4 -40,-2.8 -42,-0.3 2,-0.5 -0.826 18.5-171.2 -95.0 113.5 -22.0 -11.7 -17.8 60 89 A L E -i 19 0C 1 39,-2.5 2,-0.5 -2,-0.7 -40,-0.2 -0.897 6.9-165.3-105.0 133.0 -19.3 -9.7 -16.2 61 90 A I E -i 20 0C 37 -42,-2.7 -40,-2.8 -2,-0.5 2,-0.3 -0.891 8.6-170.4-121.5 100.9 -16.0 -9.2 -18.0 62 91 A Y E -iL 21 97C 2 35,-3.2 35,-1.8 -2,-0.5 2,-0.4 -0.677 1.6-170.4 -87.7 146.1 -13.2 -8.0 -15.8 63 92 A S E -iL 22 96C 17 -42,-2.4 -40,-3.2 -2,-0.3 2,-0.7 -0.996 13.8-144.3-137.9 128.7 -9.9 -6.8 -17.3 64 93 A N E +i 23 0C 0 31,-2.5 30,-2.7 -2,-0.4 31,-0.2 -0.835 26.4 164.5 -99.3 110.2 -6.8 -6.0 -15.2 65 94 A R + 0 0 149 -42,-3.0 -40,-0.4 -2,-0.7 2,-0.2 -0.019 47.9 102.8-108.9 25.6 -4.8 -3.2 -16.6 66 95 A L S S- 0 0 7 2,-0.3 28,-0.3 -42,-0.1 4,-0.1 -0.555 81.0-115.8-101.1 171.3 -2.7 -2.7 -13.4 67 96 A T S S+ 0 0 118 -2,-0.2 2,-0.3 26,-0.1 -1,-0.0 0.246 92.3 53.0 -93.2 12.2 0.8 -3.8 -12.8 68 97 A E S S- 0 0 38 24,-0.1 -2,-0.3 23,-0.0 23,-0.1 -0.917 96.7 -78.1-139.8 166.7 -0.1 -6.3 -10.1 69 98 A N - 0 0 68 -2,-0.3 2,-0.4 24,-0.1 23,-0.2 -0.340 45.7-170.8 -63.7 145.3 -2.4 -9.2 -9.5 70 99 A V B -N 91 0E 0 21,-2.2 21,-3.2 -4,-0.1 2,-0.4 -0.992 14.4-174.1-143.6 130.9 -6.1 -8.4 -8.8 71 100 A S - 0 0 1 -2,-0.4 44,-2.1 19,-0.3 45,-0.6 -0.935 17.0-156.3-119.0 142.0 -9.0 -10.5 -7.7 72 101 A M E -G 114 0B 1 -2,-0.4 2,-0.3 17,-0.3 14,-0.2 -0.962 11.4-178.5-123.0 144.6 -12.4 -8.9 -7.5 73 102 A T E -G 113 0B 3 40,-2.7 40,-2.5 -2,-0.4 2,-0.7 -0.932 27.9-132.6-137.3 159.8 -15.5 -9.8 -5.5 74 103 A V E > -G 112 0B 2 10,-0.7 3,-1.8 -2,-0.3 38,-0.3 -0.937 32.1-139.3-112.3 101.2 -19.1 -8.5 -5.1 75 104 A A E 3 S+G 111 0B 2 36,-1.7 36,-1.4 -2,-0.7 57,-0.1 -0.472 85.7 15.1 -65.3 127.9 -19.7 -8.4 -1.3 76 105 A G T 3 S+ 0 0 7 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.267 89.8 138.7 92.6 -11.0 -23.1 -9.6 -0.3 77 106 A L < - 0 0 5 -3,-1.8 2,-1.0 34,-0.2 276,-0.5 -0.521 50.5-138.1 -70.6 131.3 -23.7 -11.3 -3.7 78 107 A Q + 0 0 14 -2,-0.3 26,-0.4 -3,-0.1 27,-0.2 -0.753 53.8 118.7 -93.6 92.7 -25.4 -14.7 -3.3 79 108 A V - 0 0 1 -2,-1.0 312,-0.1 24,-0.1 5,-0.1 -0.917 68.7 -71.4-144.2 169.7 -23.6 -17.0 -5.8 80 109 A P > - 0 0 33 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.248 49.3-106.1 -66.1 152.0 -21.6 -20.2 -5.6 81 110 A G G > S+ 0 0 2 311,-2.4 3,-1.8 1,-0.3 4,-0.4 0.851 117.6 59.8 -44.1 -47.2 -18.1 -20.1 -4.2 82 111 A P G 3 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.616 106.2 49.2 -62.8 -11.7 -16.4 -20.5 -7.6 83 112 A L G < S+ 0 0 43 -3,-2.4 -2,-0.2 314,-0.1 3,-0.1 0.384 105.1 58.5-106.4 1.0 -18.1 -17.3 -8.8 84 113 A M S < S- 0 0 7 -3,-1.8 -10,-0.7 -4,-0.4 2,-0.1 0.960 89.9-180.0 -60.2 -62.0 -17.2 -15.1 -5.9 85 114 A G + 0 0 7 -4,-0.4 -1,-0.2 -12,-0.2 -2,-0.1 -0.282 34.9 159.6-121.6 -79.5 -14.3 -15.5 -6.3 86 115 A G S > S+ 0 0 1 -14,-0.2 3,-1.3 -2,-0.1 -14,-0.2 -0.996 72.9 0.3 137.1-138.0 -10.9 -14.6 -4.9 87 116 A P G > S+ 0 0 45 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.747 126.1 56.9 -63.2 -27.4 -7.4 -16.1 -5.1 88 117 A A G 3 S+ 0 0 56 1,-0.2 309,-0.0 308,-0.1 308,-0.0 0.565 115.6 37.5 -82.4 -7.5 -8.4 -19.0 -7.3 89 118 A R G < S+ 0 0 92 -3,-1.3 -17,-0.3 2,-0.0 -1,-0.2 -0.068 86.8 146.4-128.7 27.5 -9.8 -16.5 -9.9 90 119 A M < - 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