==== 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 CCDB 17-APR-98 3VUB . 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) . 6584.0 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 . 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 . 7 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 9.9 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 0 112 0, 0.0 3,-2.0 0, 0.0 18,-0.4 0.000 360.0 360.0 360.0 142.3 -2.4 24.6 15.7 2 2 A Q T 3 + 0 0 59 1,-0.3 18,-0.2 19,-0.2 82,-0.1 -0.204 360.0 5.0 -56.1 131.5 -0.6 26.9 13.4 3 3 A F T 3 S+ 0 0 25 16,-3.6 80,-3.6 1,-0.3 -1,-0.3 0.360 96.0 127.5 76.0 -0.8 3.2 27.0 13.7 4 4 A K E < -A 82 0A 51 -3,-2.0 15,-2.5 78,-0.2 2,-0.4 -0.608 54.3-135.2 -83.7 147.5 3.2 24.1 16.2 5 5 A V E +AB 81 18A 0 76,-3.0 75,-2.5 -2,-0.2 76,-1.2 -0.896 26.6 178.3-108.1 133.7 5.5 21.2 15.4 6 6 A Y E -AB 79 17A 15 11,-2.6 11,-2.1 -2,-0.4 73,-0.2 -0.869 24.9-122.4-131.7 164.0 4.4 17.6 15.8 7 7 A T E - B 0 16A 35 71,-1.8 70,-3.4 -2,-0.3 2,-0.4 -0.616 33.4-109.3 -99.5 161.1 5.6 14.0 15.3 8 8 A Y E -A 76 0A 41 7,-0.8 68,-0.2 -2,-0.2 70,-0.1 -0.775 11.9-154.9 -92.2 138.1 3.9 11.5 13.1 9 9 A K S S+ 0 0 143 66,-3.0 2,-0.3 -2,-0.4 -1,-0.1 0.712 83.9 53.2 -80.5 -22.6 2.1 8.5 14.8 10 10 A R S S- 0 0 163 65,-0.4 67,-0.1 1,-0.1 -2,-0.0 -0.871 103.4 -89.0-116.5 147.5 2.6 6.5 11.6 11 11 A E + 0 0 192 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.246 58.0 159.8 -53.3 133.3 5.7 5.8 9.6 12 12 A S - 0 0 55 2,-0.2 -4,-0.0 -4,-0.1 -1,-0.0 -0.905 56.7 -93.5-148.1 173.5 6.4 8.5 7.0 13 13 A R S S+ 0 0 203 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.879 112.0 34.2 -60.3 -37.7 9.2 9.9 4.9 14 14 A Y - 0 0 34 1,-0.1 -2,-0.2 23,-0.1 23,-0.1 -0.694 68.9-143.5-116.3 167.6 9.9 12.5 7.6 15 15 A R S S+ 0 0 161 21,-0.6 -7,-0.8 -2,-0.2 2,-0.3 0.597 79.9 37.2-107.2 -15.5 9.6 12.5 11.4 16 16 A L E -BC 7 36A 16 20,-0.7 20,-2.7 -9,-0.2 2,-0.3 -0.958 58.3-174.9-136.1 154.7 8.3 16.0 12.1 17 17 A F E -BC 6 35A 0 -11,-2.1 -11,-2.6 -2,-0.3 2,-0.5 -0.991 19.5-134.8-148.3 149.8 5.9 18.5 10.5 18 18 A V E -BC 5 34A 0 16,-3.0 16,-2.3 -2,-0.3 2,-0.4 -0.932 22.5-129.1-108.6 127.6 4.9 22.0 11.2 19 19 A D E + C 0 33A 1 -15,-2.5 -16,-3.6 -2,-0.5 14,-0.2 -0.663 31.8 171.7 -71.8 124.1 1.1 22.9 11.0 20 20 A V + 0 0 16 12,-2.2 13,-0.2 -2,-0.4 2,-0.2 0.358 35.5 114.2-118.4 4.5 0.8 25.9 8.7 21 21 A Q S S- 0 0 22 11,-1.0 -19,-0.2 1,-0.1 -2,-0.0 -0.486 75.6-100.3 -78.6 144.5 -3.0 26.1 8.3 22 22 A S > - 0 0 42 -2,-0.2 3,-0.9 1,-0.1 -1,-0.1 -0.322 23.5-132.0 -60.3 144.5 -4.8 29.1 9.7 23 23 A D T 3 S+ 0 0 95 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.618 105.8 55.5 -74.8 -13.3 -6.5 28.5 13.1 24 24 A I T 3 S+ 0 0 153 2,-0.0 2,-0.7 1,-0.0 -1,-0.2 0.486 86.0 92.3 -96.5 -4.0 -9.7 30.1 11.9 25 25 A I < - 0 0 92 -3,-0.9 2,-0.7 2,-0.1 -4,-0.0 -0.824 68.8-151.2 -94.3 113.5 -10.0 27.7 8.9 26 26 A D + 0 0 135 -2,-0.7 5,-0.1 5,-0.0 -3,-0.1 -0.771 29.1 159.7 -92.4 114.9 -12.1 24.7 9.9 27 27 A T > - 0 0 55 -2,-0.7 3,-2.4 3,-0.3 -2,-0.1 -0.790 41.3-130.2-132.5 84.3 -11.4 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 -0.047 84.4 0.7 -39.5 120.7 -12.8 18.7 10.4 29 29 A G T 3 S+ 0 0 38 1,-0.1 44,-2.4 43,-0.1 45,-0.4 0.482 119.5 76.5 77.0 6.7 -10.3 15.9 11.0 30 30 A R E < - D 0 72A 111 -3,-2.4 -3,-0.3 42,-0.3 2,-0.3 -0.970 49.5-169.5-146.8 160.3 -7.4 17.4 9.0 31 31 A R E - D 0 71A 35 40,-1.7 40,-2.5 -2,-0.3 2,-0.5 -0.990 28.0-119.4-149.2 143.1 -4.7 20.0 8.9 32 32 A M E + D 0 70A 67 -2,-0.3 -12,-2.2 38,-0.2 -11,-1.0 -0.741 44.3 173.5 -84.8 128.9 -2.3 21.3 6.2 33 33 A V E -CD 19 69A 2 36,-2.9 36,-2.1 -2,-0.5 -14,-0.2 -0.866 31.6-139.7-135.3 166.5 1.3 20.8 7.2 34 34 A I E -C 18 0A 0 -16,-2.3 -16,-3.0 -2,-0.3 31,-0.1 -0.995 28.6-128.6-127.8 122.6 4.9 21.0 6.0 35 35 A P E -C 17 0A 9 0, 0.0 29,-2.9 0, 0.0 2,-0.4 -0.306 14.4-138.5 -69.1 155.2 7.4 18.2 6.8 36 36 A L E -CE 16 63A 1 -20,-2.7 -20,-0.7 27,-0.2 -21,-0.6 -0.956 15.2-160.4-116.9 132.9 10.8 18.9 8.4 37 37 A A E - E 0 62A 7 25,-2.7 25,-3.2 -2,-0.4 2,-0.2 -0.877 31.8 -97.8-113.9 146.4 13.9 17.1 7.2 38 38 A S E - E 0 61A 39 -2,-0.3 4,-0.5 23,-0.2 23,-0.2 -0.431 29.9-155.5 -60.6 127.5 17.2 16.7 9.1 39 39 A A S S+ 0 0 19 21,-2.4 22,-0.2 -2,-0.2 -1,-0.2 0.715 74.3 83.3 -80.6 -20.0 19.5 19.4 7.7 40 40 A R S S+ 0 0 186 20,-0.5 -1,-0.1 1,-0.2 21,-0.1 0.919 96.7 34.4 -48.0 -64.8 22.8 17.5 8.6 41 41 A L S S+ 0 0 156 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.748 104.9 97.1 -67.2 -24.3 23.1 15.2 5.6 42 42 A L S S- 0 0 74 -4,-0.5 2,-0.2 1,-0.1 -3,-0.0 -0.076 79.8 -96.0 -68.9 164.1 21.6 17.7 3.2 43 43 A S - 0 0 60 1,-0.1 3,-0.5 2,-0.0 -1,-0.1 -0.498 15.9-145.0 -81.4 147.7 23.3 20.2 0.8 44 44 A D S S+ 0 0 132 1,-0.2 4,-0.1 -2,-0.2 -1,-0.1 0.568 90.7 73.3 -87.8 -12.3 23.9 23.9 1.6 45 45 A K S S+ 0 0 178 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.550 71.6 110.8 -79.0 -7.9 23.4 25.2 -1.9 46 46 A V S S- 0 0 58 -3,-0.5 5,-0.0 1,-0.1 -4,-0.0 -0.523 84.8 -96.5 -70.8 129.7 19.6 24.7 -1.5 47 47 A S > - 0 0 50 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 -0.208 27.9-163.4 -50.3 123.4 17.7 27.9 -1.2 48 48 A R T 4 S+ 0 0 147 2,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.655 88.6 64.3 -82.3 -18.3 17.0 29.0 2.4 49 49 A E T 4 S+ 0 0 111 1,-0.2 -1,-0.2 2,-0.1 47,-0.2 0.904 115.5 29.3 -69.5 -41.1 14.3 31.4 1.2 50 50 A L T 4 S+ 0 0 44 1,-0.2 15,-0.4 46,-0.1 -2,-0.2 0.767 133.8 34.8 -88.2 -29.5 12.2 28.5 -0.1 51 51 A Y S < S- 0 0 47 -4,-1.7 -1,-0.2 13,-0.1 -2,-0.1 -0.682 83.7-158.9-128.7 78.0 13.5 26.0 2.4 52 52 A P - 0 0 4 0, 0.0 11,-2.6 0, 0.0 2,-0.5 -0.121 13.6-129.3 -56.2 148.4 14.1 27.8 5.8 53 53 A V E -F 62 0A 33 9,-0.2 2,-0.3 -5,-0.1 9,-0.2 -0.909 29.4-175.6-103.2 125.7 16.4 26.2 8.3 54 54 A V E -F 61 0A 1 7,-3.1 7,-3.1 -2,-0.5 2,-0.5 -0.823 20.7-128.0-119.1 162.3 14.9 25.9 11.8 55 55 A H E +F 60 0A 129 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.948 35.6 154.0-119.4 116.1 16.4 24.7 15.1 56 56 A I E > +F 59 0A 18 3,-2.2 3,-1.5 -2,-0.5 25,-0.1 -0.996 66.4 4.2-139.0 139.2 14.7 22.0 17.2 57 57 A G T 3 S- 0 0 70 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.878 128.0 -59.3 53.7 44.7 16.1 19.5 19.8 58 58 A D T 3 S+ 0 0 171 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.657 120.4 96.3 59.6 20.6 19.7 21.0 19.5 59 59 A E E < S- F 0 56A 49 -3,-1.5 -3,-2.2 -20,-0.0 2,-0.4 -0.912 74.1-111.7-136.2 161.9 19.7 20.2 15.7 60 60 A S E - F 0 55A 36 -2,-0.3 -21,-2.4 -5,-0.2 -20,-0.5 -0.761 30.3-172.3 -97.6 140.4 19.0 21.9 12.4 61 61 A W E -EF 38 54A 29 -7,-3.1 -7,-3.1 -2,-0.4 2,-0.4 -0.964 17.7-136.0-133.0 147.5 16.0 21.1 10.2 62 62 A R E -EF 37 53A 17 -25,-3.2 -25,-2.7 -2,-0.3 2,-0.7 -0.877 20.7-129.0-103.6 130.6 14.9 22.1 6.7 63 63 A M E -E 36 0A 1 -11,-2.6 2,-2.0 -2,-0.4 -27,-0.2 -0.735 16.5-146.1 -79.1 114.8 11.3 23.0 6.1 64 64 A M > + 0 0 29 -29,-2.9 3,-2.6 -2,-0.7 -13,-0.1 -0.485 27.5 172.7 -83.5 68.4 10.4 20.9 3.1 65 65 A T G > S+ 0 0 0 -2,-2.0 3,-1.3 -15,-0.4 -1,-0.2 0.799 72.8 54.2 -45.1 -43.5 8.0 23.5 1.7 66 66 A T G 3 S+ 0 0 73 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.398 99.3 63.8 -79.2 5.7 7.4 21.7 -1.6 67 67 A D G < S+ 0 0 62 -3,-2.6 -1,-0.3 -32,-0.2 -2,-0.2 0.146 74.1 145.4-110.8 13.1 6.3 18.6 0.3 68 68 A M < + 0 0 51 -3,-1.3 2,-0.3 -34,-0.1 -34,-0.2 -0.200 17.4 148.9 -53.7 140.5 3.3 20.3 1.9 69 69 A A E -D 33 0A 51 -36,-2.1 -36,-2.9 -38,-0.1 2,-0.3 -0.974 46.1 -97.1-168.0 163.0 0.2 18.1 2.3 70 70 A S E -D 32 0A 40 -2,-0.3 -38,-0.2 -38,-0.3 -40,-0.0 -0.655 33.8-163.8 -89.6 145.9 -2.8 17.6 4.5 71 71 A V E -D 31 0A 15 -40,-2.5 -40,-1.7 -2,-0.3 2,-0.1 -0.981 22.7-114.4-130.6 141.4 -2.7 15.0 7.3 72 72 A P E > -D 30 0A 38 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.505 27.7-119.3 -72.2 146.7 -5.6 13.5 9.2 73 73 A V G > S+ 0 0 78 -44,-2.4 3,-0.9 1,-0.3 -43,-0.1 0.764 108.8 73.7 -57.4 -21.0 -5.7 14.4 12.9 74 74 A S G 3 S+ 0 0 84 -45,-0.4 -1,-0.3 1,-0.2 -44,-0.1 0.652 97.6 45.5 -68.0 -18.0 -5.4 10.6 13.7 75 75 A V G < S+ 0 0 6 -3,-2.1 -66,-3.0 -66,-0.1 2,-0.5 0.509 83.7 111.1-102.3 -7.8 -1.7 10.6 12.7 76 76 A I E < -A 8 0A 31 -3,-0.9 -68,-0.2 -4,-0.5 3,-0.1 -0.560 48.1-179.5 -71.4 118.2 -0.7 13.8 14.6 77 77 A G E - 0 0 15 -70,-3.4 -69,-0.1 -2,-0.5 -1,-0.1 0.217 39.2 -17.6 -93.9-142.7 1.5 12.8 17.5 78 78 A E E - 0 0 141 -70,-0.1 -71,-1.8 -72,-0.1 2,-0.5 -0.309 60.4-122.4 -66.4 143.9 3.3 14.6 20.3 79 79 A E E +A 6 0A 94 -73,-0.2 -73,-0.3 1,-0.1 -1,-0.1 -0.778 36.5 170.4 -85.3 125.7 3.8 18.4 20.0 80 80 A V E - 0 0 69 -75,-2.5 2,-0.3 -2,-0.5 -23,-0.2 0.583 53.6 -0.3-114.2 -15.2 7.5 18.9 20.3 81 81 A A E -A 5 0A 26 -76,-1.2 -76,-3.0 -25,-0.1 2,-0.4 -0.978 53.1-125.4-164.0 174.1 8.0 22.6 19.4 82 82 A D E -A 4 0A 65 -2,-0.3 3,-0.3 -78,-0.3 -78,-0.2 -0.990 13.8-177.1-134.4 120.2 6.6 26.0 18.4 83 83 A L > + 0 0 2 -80,-3.6 3,-2.3 -2,-0.4 7,-0.2 0.123 47.7 117.7-104.3 21.6 7.9 27.8 15.3 84 84 A S G > + 0 0 61 1,-0.3 3,-1.3 -81,-0.2 4,-0.2 0.734 68.5 66.2 -61.6 -21.5 5.8 31.0 15.7 85 85 A H G 3 S+ 0 0 138 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.573 100.6 50.1 -75.2 -10.2 9.0 33.0 16.1 86 86 A R G <> S+ 0 0 53 -3,-2.3 4,-2.3 1,-0.1 3,-0.3 0.098 72.9 122.1-112.2 19.3 9.9 32.1 12.5 87 87 A E H <> S+ 0 0 80 -3,-1.3 4,-3.0 1,-0.2 5,-0.2 0.855 70.6 55.7 -48.7 -44.0 6.5 33.2 11.1 88 88 A N H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 111.3 41.4 -58.8 -49.2 8.1 35.7 8.7 89 89 A D H > S+ 0 0 62 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.837 115.7 50.1 -69.0 -35.4 10.4 33.2 7.0 90 90 A I H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.939 111.8 48.5 -67.6 -45.3 7.7 30.5 6.9 91 91 A K H X S+ 0 0 104 -4,-3.0 4,-2.3 -5,-0.2 5,-0.2 0.920 111.5 50.1 -59.7 -45.7 5.2 33.0 5.4 92 92 A N H X S+ 0 0 67 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.885 109.8 50.6 -62.1 -41.0 7.8 34.1 2.8 93 93 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.904 111.6 46.5 -64.2 -45.9 8.6 30.5 1.7 94 94 A I H X S+ 0 0 33 -4,-2.1 4,-1.3 2,-0.2 5,-0.2 0.946 113.6 47.5 -63.4 -48.5 5.0 29.5 1.2 95 95 A N H X S+ 0 0 67 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.879 109.8 54.8 -60.6 -38.9 4.1 32.7 -0.8 96 96 A L H X S+ 0 0 65 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.896 102.5 56.4 -61.9 -42.3 7.3 32.2 -2.9 97 97 A M H < S+ 0 0 58 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.863 121.2 26.9 -59.3 -38.4 6.3 28.6 -3.9 98 98 A F H < S+ 0 0 107 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.898 135.1 25.3 -91.4 -47.7 2.9 29.8 -5.3 99 99 A W H < S- 0 0 201 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.444 86.4-160.9-102.9 -0.5 3.4 33.4 -6.4 100 100 A G < 0 0 34 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.1 -0.236 360.0 360.0 60.1-142.5 7.1 33.5 -7.1 101 101 A I 0 0 228 -5,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.213 360.0 360.0 -48.1 360.0 9.0 36.9 -7.2