==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PLASMID 17-APR-98 4VUB . COMPND 2 MOLECULE: CCDB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.LORIS,M.-H.DAO-THI,E.M.BAHASI,L.VAN MELDEREN,F.POORTMANS, . 101 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6475.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 62 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 29.7 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 . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 11.9 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+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 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 0 102 0, 0.0 3,-2.0 0, 0.0 18,-0.4 0.000 360.0 360.0 360.0 142.7 -2.5 24.6 15.6 2 2 A Q T 3 + 0 0 55 1,-0.3 18,-0.2 19,-0.2 82,-0.1 -0.148 360.0 4.7 -53.5 129.7 -0.6 27.0 13.3 3 3 A F T 3 S+ 0 0 26 16,-3.8 80,-3.4 1,-0.3 -1,-0.3 0.326 95.3 127.6 78.6 -2.1 3.2 27.0 13.6 4 4 A K E < -A 82 0A 34 -3,-2.0 15,-2.5 78,-0.2 2,-0.4 -0.592 53.1-137.0 -82.5 145.3 3.2 24.1 16.1 5 5 A V E +AB 81 18A 0 76,-3.2 75,-2.7 -2,-0.2 76,-1.2 -0.896 25.3 177.5-108.4 135.9 5.4 21.2 15.3 6 6 A Y E -AB 79 17A 23 11,-2.5 11,-2.0 -2,-0.4 73,-0.2 -0.891 25.9-121.1-134.4 163.4 4.4 17.5 15.7 7 7 A T E - B 0 16A 38 71,-1.8 70,-2.7 -2,-0.3 2,-0.4 -0.552 35.7-106.9 -97.4 161.5 5.6 14.0 15.1 8 8 A Y E -A 76 0A 39 7,-0.8 68,-0.2 -2,-0.2 4,-0.1 -0.801 13.8-155.6 -91.6 135.6 3.8 11.5 12.9 9 9 A K S S+ 0 0 138 66,-2.9 2,-0.4 -2,-0.4 -1,-0.1 0.774 89.6 46.4 -76.6 -28.4 2.0 8.6 14.6 10 10 A R S S- 0 0 181 65,-0.4 -1,-0.2 -3,-0.1 67,-0.1 -0.971 108.2 -95.0-116.1 130.7 2.4 6.6 11.4 11 11 A E + 0 0 195 -2,-0.4 2,-0.2 -3,-0.1 4,-0.1 -0.099 50.1 172.2 -49.4 131.0 5.8 6.5 9.7 12 12 A S - 0 0 54 2,-0.5 -1,-0.1 -4,-0.1 -4,-0.1 -0.704 51.2 -88.8-129.1 179.5 6.2 9.0 6.9 13 13 A R S S+ 0 0 209 -2,-0.2 2,-0.2 2,-0.0 -2,-0.0 0.929 115.8 32.5 -58.0 -44.1 9.1 10.1 4.7 14 14 A Y S S- 0 0 44 23,-0.1 -2,-0.5 1,-0.1 23,-0.1 -0.614 75.0-137.0-110.0 169.1 10.0 12.7 7.3 15 15 A R S S+ 0 0 152 21,-0.6 -7,-0.8 -2,-0.2 2,-0.3 0.607 80.0 38.0-104.8 -13.5 9.6 12.7 11.1 16 16 A L E -BC 7 36A 14 20,-0.8 20,-2.6 -9,-0.2 2,-0.3 -0.939 57.6-171.5-136.0 157.1 8.3 16.1 11.9 17 17 A F E -BC 6 35A 1 -11,-2.0 -11,-2.5 -2,-0.3 2,-0.5 -0.991 17.1-137.9-149.1 145.4 5.8 18.5 10.4 18 18 A V E -BC 5 34A 0 16,-2.9 16,-2.2 -2,-0.3 2,-0.4 -0.933 23.6-127.0-106.9 128.5 4.8 22.1 11.1 19 19 A D E + C 0 33A 1 -15,-2.5 -16,-3.8 -2,-0.5 14,-0.2 -0.641 32.3 172.1 -71.8 124.4 1.1 23.0 10.9 20 20 A V + 0 0 15 12,-2.3 13,-0.2 -2,-0.4 2,-0.2 0.359 36.7 113.4-117.8 3.8 0.7 26.0 8.5 21 21 A Q S S- 0 0 20 11,-1.1 -19,-0.2 1,-0.1 -2,-0.0 -0.484 76.4-100.6 -78.0 143.5 -3.0 26.2 8.2 22 22 A S > - 0 0 40 -2,-0.2 3,-0.8 1,-0.1 -1,-0.1 -0.320 22.5-130.8 -60.2 145.6 -4.8 29.2 9.6 23 23 A D T 3 S+ 0 0 90 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.580 108.9 55.3 -75.0 -8.5 -6.4 28.7 13.1 24 24 A I T 3 S+ 0 0 151 2,-0.0 2,-0.7 1,-0.0 -1,-0.2 0.507 87.8 90.6 -98.9 -7.1 -9.6 30.2 11.7 25 25 A I < - 0 0 90 -3,-0.8 2,-0.6 2,-0.1 -4,-0.0 -0.811 68.4-154.5 -94.4 113.7 -9.8 27.8 8.8 26 26 A D + 0 0 136 -2,-0.7 5,-0.1 5,-0.0 -3,-0.1 -0.792 26.2 162.5 -96.6 119.7 -11.8 24.8 9.8 27 27 A T > - 0 0 53 -2,-0.6 3,-2.3 3,-0.4 -2,-0.1 -0.836 39.9-129.5-133.5 89.6 -11.2 21.4 8.1 28 28 A P T 3 S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.145 85.9 0.7 -45.4 122.4 -12.8 18.7 10.3 29 29 A G T 3 S+ 0 0 40 1,-0.1 44,-2.6 43,-0.1 45,-0.4 0.480 120.9 72.5 77.2 6.8 -10.3 15.9 11.0 30 30 A R E < - D 0 72A 109 -3,-2.3 -3,-0.4 42,-0.3 2,-0.3 -0.967 51.3-165.8-148.6 163.1 -7.4 17.3 9.0 31 31 A R E - D 0 71A 35 40,-1.8 40,-2.4 -2,-0.3 2,-0.5 -0.989 27.0-119.6-150.3 143.5 -4.7 20.0 8.9 32 32 A M E + D 0 70A 65 -2,-0.3 -12,-2.3 38,-0.2 -11,-1.1 -0.748 45.4 169.9 -85.3 127.3 -2.4 21.4 6.2 33 33 A V E -CD 19 69A 2 36,-2.6 36,-2.2 -2,-0.5 -14,-0.2 -0.857 33.2-137.7-136.7 168.5 1.3 20.9 7.1 34 34 A I E -C 18 0A 0 -16,-2.2 -16,-2.9 -2,-0.3 31,-0.1 -0.996 28.5-127.8-128.8 124.6 4.8 21.1 5.9 35 35 A P E -C 17 0A 10 0, 0.0 29,-2.6 0, 0.0 2,-0.5 -0.302 14.6-138.4 -69.2 156.4 7.3 18.3 6.8 36 36 A L E -CE 16 63A 1 -20,-2.6 -20,-0.8 27,-0.2 -21,-0.6 -0.978 15.7-160.0-118.9 126.7 10.7 19.1 8.3 37 37 A A E - E 0 62A 6 25,-2.5 25,-3.1 -2,-0.5 2,-0.2 -0.819 31.2 -98.3-105.5 146.9 13.8 17.2 7.1 38 38 A S E - E 0 61A 32 -2,-0.3 4,-0.4 23,-0.2 3,-0.4 -0.446 24.1-153.6 -63.1 130.0 17.1 16.9 9.0 39 39 A A + 0 0 24 21,-2.5 22,-0.2 1,-0.2 -1,-0.1 0.109 68.6 106.0 -91.5 21.7 19.5 19.5 7.6 40 40 A R S S+ 0 0 198 20,-0.2 -1,-0.2 1,-0.1 21,-0.1 0.908 97.9 8.2 -67.2 -48.0 22.4 17.2 8.7 41 41 A L S S+ 0 0 159 -3,-0.4 -1,-0.1 2,-0.1 -2,-0.1 0.542 100.7 119.0-111.1 -12.4 23.4 15.9 5.3 42 42 A L S S- 0 0 74 -4,-0.4 -3,-0.0 1,-0.1 0, 0.0 -0.269 70.0-102.4 -62.4 135.2 21.2 18.2 3.1 43 43 A S > - 0 0 58 1,-0.1 3,-0.5 2,-0.0 -1,-0.1 -0.193 12.2-140.8 -60.6 146.7 23.1 20.5 0.7 44 44 A D T 3 S+ 0 0 117 1,-0.2 4,-0.1 4,-0.0 -1,-0.1 0.550 90.8 80.8 -84.0 -10.5 23.6 24.2 1.3 45 45 A K T 3 + 0 0 168 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.758 69.7 108.7 -67.3 -24.4 23.0 25.2 -2.3 46 46 A V S < S- 0 0 46 -3,-0.5 2,-0.1 1,-0.1 5,-0.0 -0.299 86.0 -98.6 -60.4 131.4 19.3 25.0 -1.7 47 47 A S > - 0 0 42 1,-0.2 4,-2.4 -2,-0.1 -1,-0.1 -0.277 29.0-162.5 -53.0 115.2 17.3 28.3 -1.6 48 48 A R T 4 S+ 0 0 121 2,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.734 88.8 61.3 -74.7 -21.8 16.9 29.2 2.1 49 49 A E T 4 S+ 0 0 130 1,-0.2 -1,-0.2 2,-0.1 47,-0.2 0.899 115.5 32.4 -70.0 -39.7 14.1 31.7 1.2 50 50 A L T 4 S+ 0 0 34 1,-0.2 15,-0.4 46,-0.1 -2,-0.2 0.809 130.9 36.5 -85.4 -33.1 12.1 28.8 -0.2 51 51 A Y S < S- 0 0 49 -4,-2.4 -1,-0.2 13,-0.1 -2,-0.1 -0.719 84.8-158.5-124.1 80.6 13.4 26.2 2.3 52 52 A P - 0 0 3 0, 0.0 11,-2.7 0, 0.0 2,-0.5 -0.165 13.1-129.3 -57.8 147.4 13.9 27.9 5.7 53 53 A V E +F 62 0A 20 9,-0.2 2,-0.3 -5,-0.1 9,-0.2 -0.896 31.6 179.2-102.7 125.6 16.3 26.4 8.3 54 54 A V E -F 61 0A 1 7,-2.9 7,-2.9 -2,-0.5 2,-0.5 -0.786 22.8-125.7-121.3 167.8 14.8 26.0 11.7 55 55 A H E +F 60 0A 123 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.965 35.2 152.3-125.4 120.4 16.1 24.6 15.0 56 56 A I E > +F 59 0A 15 3,-1.9 3,-1.5 -2,-0.5 25,-0.1 -0.994 67.9 8.1-143.1 139.6 14.5 21.9 17.1 57 57 A G T 3 S- 0 0 53 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.847 127.3 -62.5 57.8 36.9 16.0 19.3 19.5 58 58 A D T 3 S+ 0 0 175 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.673 119.0 95.8 62.8 21.4 19.4 21.0 19.3 59 59 A E E < S- F 0 56A 88 -3,-1.5 -3,-1.9 0, 0.0 2,-0.3 -0.898 76.0-107.0-135.3 165.1 19.6 20.2 15.5 60 60 A S E - F 0 55A 49 -2,-0.3 -21,-2.5 -5,-0.2 2,-0.3 -0.735 32.6-173.0 -98.4 139.7 18.9 22.0 12.3 61 61 A W E -EF 38 54A 12 -7,-2.9 -7,-2.9 -2,-0.3 2,-0.5 -0.959 18.5-135.6-131.8 149.6 15.9 21.2 10.1 62 62 A R E -EF 37 53A 7 -25,-3.1 -25,-2.5 -2,-0.3 2,-0.7 -0.913 21.2-129.1-106.3 126.5 14.8 22.3 6.6 63 63 A M E -E 36 0A 0 -11,-2.7 2,-2.1 -2,-0.5 -27,-0.2 -0.685 17.8-145.2 -75.6 113.1 11.2 23.2 6.1 64 64 A M > + 0 0 25 -29,-2.6 3,-2.8 -2,-0.7 -13,-0.1 -0.448 28.1 172.2 -81.6 67.7 10.3 21.1 3.0 65 65 A T G > S+ 0 0 0 -2,-2.1 3,-1.3 -15,-0.4 -1,-0.2 0.806 72.4 55.3 -44.1 -45.3 7.9 23.7 1.7 66 66 A T G 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.434 99.2 62.3 -76.3 2.1 7.3 21.9 -1.6 67 67 A D G < S+ 0 0 75 -3,-2.8 -1,-0.3 -32,-0.2 -2,-0.2 0.088 74.2 147.3-111.1 21.4 6.2 18.8 0.2 68 68 A M < + 0 0 48 -3,-1.3 2,-0.3 -34,-0.1 -34,-0.2 -0.241 16.0 149.0 -57.0 139.9 3.2 20.5 1.8 69 69 A A E -D 33 0A 53 -36,-2.2 -36,-2.6 -38,-0.0 2,-0.2 -0.965 45.8-100.0-168.2 159.5 0.2 18.2 2.2 70 70 A S E -D 32 0A 37 -2,-0.3 -38,-0.2 -38,-0.3 -40,-0.0 -0.597 32.2-160.9 -88.3 150.7 -2.7 17.7 4.5 71 71 A V E -D 31 0A 15 -40,-2.4 -40,-1.8 -2,-0.2 2,-0.2 -0.979 22.2-113.4-130.9 143.7 -2.6 15.1 7.2 72 72 A P E > -D 30 0A 40 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.525 27.2-120.8 -73.6 147.3 -5.6 13.5 9.1 73 73 A V G > S+ 0 0 77 -44,-2.6 3,-1.1 1,-0.3 -43,-0.1 0.783 108.9 73.7 -60.3 -20.5 -5.7 14.3 12.8 74 74 A S G 3 S+ 0 0 86 -45,-0.4 -1,-0.3 1,-0.3 -44,-0.1 0.791 98.4 45.3 -62.6 -27.2 -5.4 10.6 13.5 75 75 A V G < S+ 0 0 18 -3,-1.8 -66,-2.9 -66,-0.1 2,-0.7 0.504 84.0 112.4 -94.9 -5.1 -1.7 10.7 12.5 76 76 A I E < -A 8 0A 34 -3,-1.1 -68,-0.2 -4,-0.4 3,-0.1 -0.589 48.4-177.7 -73.7 110.2 -0.9 13.8 14.5 77 77 A G E - 0 0 9 -70,-2.7 -68,-0.1 -2,-0.7 -69,-0.1 0.121 39.8 -27.5 -88.1-153.2 1.4 12.8 17.3 78 78 A E E - 0 0 138 -72,-0.1 -71,-1.8 1,-0.1 2,-0.5 -0.236 62.3-117.7 -63.6 145.3 3.0 14.7 20.2 79 79 A E E +A 6 0A 94 -73,-0.2 -73,-0.3 1,-0.1 -1,-0.1 -0.739 34.3 176.8 -82.5 128.4 3.7 18.3 19.8 80 80 A V E - 0 0 69 -75,-2.7 2,-0.3 -2,-0.5 -74,-0.2 0.680 54.5 -8.2-108.4 -22.1 7.4 18.9 20.1 81 81 A A E -A 5 0A 28 -76,-1.2 -76,-3.2 -25,-0.1 2,-0.4 -0.975 54.3-118.6-164.6 173.4 7.9 22.6 19.4 82 82 A D E -A 4 0A 58 -2,-0.3 3,-0.3 -78,-0.2 -78,-0.2 -0.995 16.3-178.7-127.3 123.1 6.5 25.9 18.4 83 83 A L > + 0 0 2 -80,-3.4 3,-2.4 -2,-0.4 7,-0.2 0.130 48.5 116.3-106.9 20.6 7.9 27.7 15.3 84 84 A S G > + 0 0 59 1,-0.3 3,-1.6 -81,-0.2 4,-0.2 0.786 68.3 66.8 -60.0 -26.2 5.7 30.8 15.6 85 85 A H G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -3,-0.3 3,-0.2 0.600 99.9 51.4 -70.0 -10.6 8.8 32.9 16.1 86 86 A R G <> S+ 0 0 50 -3,-2.4 4,-2.4 1,-0.1 3,-0.3 0.098 71.5 122.1-111.0 19.5 9.7 32.1 12.5 87 87 A E H <> S+ 0 0 68 -3,-1.6 4,-3.1 1,-0.2 5,-0.2 0.853 70.2 56.9 -50.3 -41.0 6.4 33.1 11.1 88 88 A N H > S+ 0 0 96 1,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.934 111.3 39.5 -60.2 -49.8 8.1 35.7 8.8 89 89 A D H > S+ 0 0 66 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.842 117.2 50.9 -68.5 -34.9 10.4 33.1 7.0 90 90 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.948 111.5 47.1 -67.2 -46.9 7.6 30.5 6.9 91 91 A K H X S+ 0 0 85 -4,-3.1 4,-2.5 -5,-0.2 5,-0.2 0.932 112.5 50.1 -58.9 -49.0 5.1 33.0 5.4 92 92 A N H X S+ 0 0 76 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.873 110.3 49.6 -59.6 -39.9 7.7 34.1 2.8 93 93 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.916 112.2 46.8 -66.2 -46.0 8.6 30.6 1.8 94 94 A I H X S+ 0 0 30 -4,-2.2 4,-1.2 2,-0.2 5,-0.2 0.957 114.7 46.8 -61.1 -51.2 4.9 29.5 1.3 95 95 A N H X S+ 0 0 72 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.885 109.7 54.6 -58.8 -40.8 4.1 32.7 -0.7 96 96 A L H X S+ 0 0 51 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.896 101.3 59.2 -60.5 -41.7 7.2 32.3 -2.8 97 97 A M H < S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.877 119.5 26.3 -56.7 -40.5 6.2 28.7 -3.8 98 98 A F H < S+ 0 0 114 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.878 135.6 25.3 -91.2 -44.1 2.9 29.9 -5.4 99 99 A W H < S- 0 0 200 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.375 91.0-139.7-108.8 5.3 3.5 33.5 -6.4 100 100 A G < 0 0 37 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 -0.235 360.0 360.0 68.2-162.1 7.3 33.8 -7.0 101 101 A I 0 0 226 -4,-0.1 -1,-0.2 -5,-0.0 -5,-0.1 0.861 360.0 360.0 -58.0 360.0 9.3 36.8 -5.9