==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 02-OCT-01 1K3E . COMPND 2 MOLECULE: CEST; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.LUO,M.BERTERO,E.A.FREY,R.A.PFUETZNER,M.R.WENK,L.CREAGH, . 285 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 73.7 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 . 56 19.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 27 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 1 0 1 0 0 2 0 0 0 0 0 0 2 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 0 1 5 0 0 1 1 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 . 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 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 0 246 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.6 16.4 43.4 -9.2 2 2 A S - 0 0 59 3,-0.0 0, 0.0 4,-0.0 0, 0.0 -0.974 360.0-102.2-139.4 151.5 17.8 44.5 -5.9 3 3 A S > - 0 0 76 -2,-0.3 4,-3.0 1,-0.1 5,-0.1 -0.258 41.4-109.3 -64.1 156.6 17.3 43.7 -2.2 4 4 A R H > S+ 0 0 218 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.693 122.3 59.6 -64.7 -12.6 15.1 46.1 -0.3 5 5 A S H > S+ 0 0 70 2,-0.2 4,-2.4 3,-0.1 -1,-0.2 0.956 108.1 41.0 -75.0 -54.8 18.4 47.1 1.4 6 6 A E H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.892 113.8 56.4 -59.3 -39.5 20.0 48.1 -1.9 7 7 A L H X S+ 0 0 73 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.970 106.5 48.2 -56.0 -55.4 16.6 49.7 -2.8 8 8 A L H X S+ 0 0 124 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.906 108.9 54.3 -51.7 -47.0 16.7 51.8 0.3 9 9 A L H X S+ 0 0 17 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.959 112.3 44.1 -52.4 -54.5 20.2 52.9 -0.5 10 10 A E H X S+ 0 0 76 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.945 112.7 48.2 -57.6 -55.8 19.2 54.0 -4.0 11 11 A K H X S+ 0 0 117 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.871 114.8 50.2 -54.6 -34.5 16.0 55.8 -3.0 12 12 A F H X S+ 0 0 78 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.937 112.5 45.9 -67.5 -48.4 18.1 57.5 -0.3 13 13 A A H X S+ 0 0 2 -4,-2.9 4,-1.3 -5,-0.2 3,-0.5 0.989 113.3 46.2 -58.1 -64.1 20.8 58.5 -2.8 14 14 A E H < S+ 0 0 137 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.818 116.1 48.1 -51.3 -33.4 18.4 59.8 -5.5 15 15 A K H < S+ 0 0 163 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.868 107.4 54.3 -75.0 -37.8 16.5 61.8 -2.8 16 16 A I H < S- 0 0 65 -4,-2.4 -1,-0.2 -3,-0.5 -2,-0.2 0.660 117.4-112.3 -71.1 -15.2 19.7 63.2 -1.2 17 17 A G S < S+ 0 0 66 -4,-1.3 -3,-0.1 1,-0.5 -4,-0.1 -0.086 85.3 103.2 111.1 -37.6 20.7 64.6 -4.6 18 18 A I - 0 0 51 -5,-0.4 -1,-0.5 119,-0.1 2,-0.3 -0.364 61.5-140.7 -74.0 162.9 23.8 62.5 -5.4 19 19 A G + 0 0 46 1,-0.2 120,-0.1 -3,-0.1 -1,-0.0 -0.878 55.8 25.0-131.7 163.9 23.3 59.7 -7.9 20 20 A S + 0 0 131 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.979 68.2 162.5 53.8 83.6 24.2 56.1 -8.7 21 21 A I + 0 0 13 -3,-0.1 2,-0.3 -15,-0.1 -1,-0.2 -0.924 6.0 151.1-130.1 153.1 25.0 54.4 -5.4 22 22 A S - 0 0 63 -2,-0.3 2,-0.4 -13,-0.1 6,-0.0 -0.978 47.6 -80.4-167.9 170.0 25.3 50.8 -4.2 23 23 A F - 0 0 72 -2,-0.3 6,-0.2 1,-0.1 -17,-0.0 -0.699 46.7-132.8 -85.0 131.7 27.1 48.5 -1.8 24 24 A N > - 0 0 38 4,-3.3 3,-2.3 -2,-0.4 -1,-0.1 0.131 43.5 -73.0 -69.3-170.9 30.6 47.4 -2.8 25 25 A E T 3 S+ 0 0 160 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.793 135.9 53.0 -56.7 -27.8 31.9 43.9 -2.7 26 26 A N T 3 S- 0 0 101 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.360 119.9-108.0 -90.0 5.0 32.1 44.1 1.1 27 27 A R S < S+ 0 0 212 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.799 81.3 126.3 72.2 30.0 28.4 45.2 1.4 28 28 A L - 0 0 91 -6,-0.0 -4,-3.3 2,-0.0 -1,-0.3 -0.776 38.2-179.3-118.8 161.1 29.6 48.7 2.3 29 29 A C - 0 0 22 -2,-0.3 2,-0.3 -6,-0.2 112,-0.1 -0.797 16.5-160.3-161.1 114.4 28.9 52.2 1.0 30 30 A S E -A 140 0A 38 110,-0.6 110,-2.6 -2,-0.3 2,-0.3 -0.712 6.2-165.7-108.8 154.5 30.5 55.2 2.5 31 31 A F E -A 139 0A 62 -2,-0.3 2,-0.5 108,-0.3 108,-0.2 -0.870 13.7-143.1-129.2 160.9 29.8 58.9 2.6 32 32 A A E -A 138 0A 25 106,-2.9 106,-2.4 -2,-0.3 2,-0.5 -0.992 17.7-166.4-124.2 129.9 31.7 62.1 3.5 33 33 A I E -A 137 0A 123 -2,-0.5 2,-0.3 104,-0.2 104,-0.2 -0.986 7.9-150.5-122.1 128.5 29.8 64.8 5.1 34 34 A D - 0 0 71 102,-2.0 2,-0.4 -2,-0.5 -2,-0.0 -0.732 16.5-168.3-102.8 149.2 31.2 68.3 5.5 35 35 A E - 0 0 105 -2,-0.3 2,-0.1 2,-0.0 -2,-0.0 -0.857 25.1-159.8-130.1 88.6 30.6 71.0 8.1 36 36 A I - 0 0 70 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.470 5.1-157.9 -75.4 146.5 32.2 74.1 6.5 37 37 A Y - 0 0 65 -2,-0.1 2,-0.6 2,-0.0 18,-0.1 -0.993 7.3-146.5-125.8 123.3 33.2 77.1 8.7 38 38 A Y E +B 54 0B 146 16,-0.7 16,-2.0 -2,-0.4 2,-0.3 -0.815 18.8 179.4 -98.2 120.6 33.6 80.5 7.2 39 39 A I E -B 53 0B 45 -2,-0.6 2,-0.4 14,-0.2 14,-0.2 -0.876 7.3-164.5-113.2 147.7 36.3 82.8 8.7 40 40 A S E -B 52 0B 60 12,-1.8 12,-2.5 -2,-0.3 2,-0.4 -0.977 8.1-152.0-137.0 123.9 37.1 86.3 7.5 41 41 A L E -B 51 0B 80 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.781 16.8-162.4 -93.9 136.7 40.2 88.3 8.3 42 42 A S E -B 50 0B 45 8,-1.4 8,-2.6 -2,-0.4 2,-1.8 -0.980 23.0-143.5-126.4 130.2 39.7 92.1 8.2 43 43 A D + 0 0 140 -2,-0.4 6,-0.1 6,-0.2 3,-0.1 -0.625 42.3 160.3 -86.3 75.5 42.3 94.8 8.0 44 44 A A - 0 0 45 -2,-1.8 -1,-0.2 4,-0.1 5,-0.2 0.963 58.2 -14.6 -62.8 -93.7 40.3 97.0 10.4 45 45 A N S S- 0 0 71 3,-1.0 5,-0.1 -3,-0.2 -3,-0.0 -0.288 74.3-103.5-100.0-168.5 42.7 99.7 11.8 46 46 A D S S+ 0 0 148 1,-0.1 3,-0.1 -2,-0.1 -3,-0.0 0.325 117.5 48.5-102.1 9.2 46.5 99.6 11.7 47 47 A E S S+ 0 0 79 1,-0.3 54,-1.7 54,-0.1 55,-0.5 0.606 118.8 27.9-115.0 -26.4 46.9 98.5 15.3 48 48 A Y E - C 0 100B 57 52,-0.2 -3,-1.0 53,-0.1 -1,-0.3 -0.967 62.2-153.0-139.2 152.1 44.4 95.6 15.3 49 49 A M E - C 0 99B 29 50,-3.4 50,-3.9 -2,-0.3 2,-0.5 -0.837 19.9-130.0-119.2 158.2 43.0 93.2 12.8 50 50 A M E -BC 42 98B 2 -8,-2.6 -8,-1.4 -2,-0.3 2,-0.5 -0.928 10.8-161.6-124.7 120.2 39.6 91.5 13.1 51 51 A I E -BC 41 97B 0 46,-3.0 46,-1.6 -2,-0.5 2,-0.5 -0.806 15.6-165.7 -94.2 122.0 38.8 87.7 12.7 52 52 A Y E -BC 40 96B 40 -12,-2.5 -12,-1.8 -2,-0.5 2,-0.9 -0.928 16.6-154.0-115.9 132.1 35.1 87.0 12.0 53 53 A G E -BC 39 95B 0 42,-2.8 42,-1.1 -2,-0.5 2,-1.0 -0.845 17.1-152.9 -99.4 98.7 33.3 83.7 12.3 54 54 A V E +BC 38 94B 44 -16,-2.0 -16,-0.7 -2,-0.9 40,-0.2 -0.629 19.2 175.8 -76.6 106.5 30.4 84.0 9.8 55 55 A C E - 0 0 7 38,-2.7 2,-0.2 -2,-1.0 79,-0.2 0.639 46.0 -86.7 -87.4 -17.8 27.9 81.6 11.3 56 56 A G E - 0 0 25 37,-0.5 37,-2.7 78,-0.1 2,-0.5 -0.826 62.9 -30.6 139.7-178.5 25.0 82.2 8.9 57 57 A K E - C 0 92B 171 -2,-0.2 35,-0.3 35,-0.2 34,-0.1 -0.629 60.1-128.2 -79.2 124.6 21.9 84.4 8.2 58 58 A F - 0 0 4 33,-3.3 2,-1.7 -2,-0.5 -1,-0.1 -0.586 14.5-129.0 -74.8 117.6 20.4 85.7 11.4 59 59 A P > - 0 0 47 0, 0.0 3,-1.3 0, 0.0 7,-0.3 -0.513 27.8-175.1 -70.3 91.6 16.7 85.0 11.6 60 60 A T T 3 S+ 0 0 54 -2,-1.7 148,-0.1 1,-0.2 144,-0.1 0.405 72.7 69.9 -69.1 0.7 15.6 88.6 12.4 61 61 A D T 3 S+ 0 0 137 1,-0.1 2,-0.7 143,-0.0 -1,-0.2 0.754 81.5 83.9 -88.6 -26.1 12.0 87.6 12.8 62 62 A N <> - 0 0 69 -3,-1.3 4,-1.4 1,-0.2 5,-0.1 -0.701 49.1-178.1 -87.9 110.2 12.6 85.6 16.1 63 63 A S H > S+ 0 0 43 -2,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.900 87.8 55.4 -67.1 -41.2 12.6 87.7 19.3 64 64 A N H > S+ 0 0 119 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 103.2 53.9 -60.0 -42.5 13.4 84.5 21.2 65 65 A F H >> S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 3,-1.5 0.986 103.9 52.5 -58.3 -63.6 16.5 83.6 19.1 66 66 A A H 3X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.3 -1,-0.2 0.851 110.3 51.8 -39.7 -45.4 18.3 87.0 19.6 67 67 A L H 3X S+ 0 0 15 -4,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.832 106.2 51.8 -64.2 -35.9 17.8 86.5 23.3 68 68 A E H < S+ 0 0 59 -4,-1.5 3,-0.9 155,-0.3 4,-0.4 0.774 105.5 57.2 -77.3 -28.6 22.5 84.7 26.8 72 72 A A H >X S+ 0 0 26 -4,-1.3 3,-1.5 1,-0.2 4,-1.5 0.817 92.1 70.2 -71.1 -30.2 25.2 82.5 25.2 73 73 A N H 3X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.716 86.6 67.6 -59.0 -21.1 27.5 85.6 25.2 74 74 A L H <> S+ 0 0 27 -3,-0.9 4,-1.0 -4,-0.2 -1,-0.3 0.888 101.6 47.3 -64.2 -37.6 27.6 85.1 28.9 75 75 A W H <> S+ 0 0 107 -3,-1.5 4,-1.7 -4,-0.4 3,-0.4 0.901 112.6 45.7 -69.5 -46.5 29.5 81.9 28.2 76 76 A F H < S+ 0 0 4 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.820 108.6 60.0 -66.4 -30.2 31.9 83.4 25.8 77 77 A A H < S+ 0 0 1 -4,-2.0 162,-0.6 -5,-0.2 -1,-0.2 0.796 106.4 45.7 -67.4 -31.6 32.4 86.2 28.3 78 78 A E H < S+ 0 0 80 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.832 116.2 49.2 -80.3 -35.3 33.6 83.8 30.9 79 79 A N S < S- 0 0 60 -4,-1.7 160,-0.2 -5,-0.1 -3,-0.0 -0.023 118.6 -56.2 -89.0-166.1 36.0 82.0 28.6 80 80 A G S S- 0 0 53 1,-0.1 -4,-0.0 35,-0.0 35,-0.0 0.904 80.8-112.1 -38.2 -88.6 38.5 83.4 26.1 81 81 A G + 0 0 7 34,-0.1 2,-0.3 2,-0.0 -4,-0.1 0.675 50.5 160.7 157.8 37.0 36.3 85.6 24.1 82 82 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.676 46.5-128.4 -76.0 141.8 35.0 85.7 20.6 83 83 A Y E -D 96 0B 19 13,-3.1 13,-3.1 -2,-0.3 2,-1.0 -0.689 6.9-127.9 -88.3 142.7 31.9 88.1 20.9 84 84 A L E +D 95 0B 0 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.788 46.4 169.4 -90.1 104.0 28.6 87.0 19.5 85 85 A C E -D 94 0B 0 9,-2.9 9,-2.5 -2,-1.0 2,-0.4 -0.645 32.7-135.2-114.9 172.2 27.6 89.9 17.3 86 86 A Y E -D 93 0B 16 125,-1.0 2,-0.6 7,-0.2 129,-0.2 -0.975 11.3-156.0-126.4 135.6 25.1 90.8 14.6 87 87 A E E >> -D 92 0B 64 5,-1.9 5,-1.2 -2,-0.4 4,-0.7 -0.969 2.9-159.0-117.6 118.3 25.9 92.6 11.4 88 88 A A T >45S+ 0 0 53 -2,-0.6 3,-0.8 3,-0.2 -1,-0.2 0.939 84.2 64.5 -58.8 -52.2 23.1 94.6 9.9 89 89 A G T 345S+ 0 0 65 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.891 122.4 15.2 -35.4 -75.6 24.5 94.6 6.4 90 90 A A T 345S- 0 0 62 2,-0.1 -1,-0.3 1,-0.0 -2,-0.2 0.357 99.3-126.7 -86.7 5.1 24.4 90.9 5.7 91 91 A Q T <<5 + 0 0 96 -3,-0.8 -33,-3.3 -4,-0.7 2,-0.3 0.890 58.6 157.7 49.8 42.3 22.1 90.2 8.6 92 92 A S E < -CD 57 87B 13 -5,-1.2 -5,-1.9 -35,-0.3 2,-0.8 -0.675 51.6-121.3-105.1 155.3 24.6 87.7 9.7 93 93 A L E - D 0 86B 0 -37,-2.7 -38,-2.7 -2,-0.3 -37,-0.5 -0.818 41.2-165.6 -90.6 110.4 25.4 86.0 13.0 94 94 A L E -CD 54 85B 11 -9,-2.5 -9,-2.9 -2,-0.8 2,-0.7 -0.761 26.1-155.5-107.0 148.3 29.1 86.9 13.7 95 95 A L E -CD 53 84B 0 -42,-1.1 -42,-2.8 -2,-0.3 2,-0.3 -0.961 31.5-161.6-116.9 104.9 31.6 85.5 16.1 96 96 A A E +CD 52 83B 0 -13,-3.1 -13,-3.1 -2,-0.7 2,-0.3 -0.734 21.8 164.1 -99.5 142.2 34.1 88.4 16.5 97 97 A L E -C 51 0B 24 -46,-1.6 -46,-3.0 -2,-0.3 2,-0.2 -0.946 25.8-139.5-152.7 126.0 37.6 88.5 17.8 98 98 A R E -C 50 0B 73 120,-0.4 -48,-0.3 -2,-0.3 121,-0.0 -0.578 13.4-152.7 -87.1 153.6 40.2 91.2 17.4 99 99 A F E -C 49 0B 9 -50,-3.9 -50,-3.4 -2,-0.2 2,-0.2 -0.977 10.5-135.8-131.8 117.9 43.8 90.4 16.7 100 100 A P E -C 48 0B 55 0, 0.0 -52,-0.2 0, 0.0 -53,-0.0 -0.495 2.6-154.9 -73.9 136.0 46.7 92.6 17.7 101 101 A L > + 0 0 64 -54,-1.7 3,-3.3 -2,-0.2 2,-0.3 0.838 64.8 106.0 -78.5 -34.7 49.5 93.3 15.2 102 102 A D T 3 S- 0 0 102 -55,-0.5 -55,-0.0 1,-0.3 0, 0.0 -0.285 105.5 -7.3 -52.9 107.8 52.1 94.0 17.9 103 103 A D T 3 S+ 0 0 131 -2,-0.3 -1,-0.3 1,-0.2 5,-0.1 0.666 98.1 165.8 75.8 20.2 54.4 90.9 17.9 104 104 A A < + 0 0 38 -3,-3.3 -1,-0.2 4,-0.1 -3,-0.1 -0.319 11.7 177.5 -67.5 148.1 52.0 89.2 15.5 105 105 A T >> - 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