==== 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 HYDROLASE 01-DEC-03 1VHZ . COMPND 2 MOLECULE: ADP COMPOUNDS HYDROLASE NUDE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR STRUCTURAL GENOMIX . 371 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17294.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 28.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 2 0 2 4 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 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 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 0 A S 0 0 172 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 166.5 42.6 16.4 121.0 2 1 A L - 0 0 162 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.312 360.0-110.8 -58.6 128.0 40.4 13.3 121.1 3 2 A S - 0 0 133 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.381 45.2-160.5 -57.6 137.2 38.1 13.0 124.1 4 3 A K - 0 0 93 -3,-0.1 3,-0.1 1,-0.1 -1,-0.0 -0.860 16.2-101.0-127.6 162.2 39.4 10.2 126.3 5 4 A S - 0 0 117 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.209 51.2 -84.6 -70.1 165.7 38.2 7.9 129.1 6 5 A L - 0 0 84 1,-0.0 2,-0.4 253,-0.0 -1,-0.1 -0.481 41.4-164.8 -72.2 143.0 39.0 8.4 132.8 7 6 A Q - 0 0 130 -2,-0.1 26,-0.5 -3,-0.1 -1,-0.0 -0.987 18.6-127.5-130.4 118.2 42.3 7.0 133.9 8 7 A K - 0 0 125 -2,-0.4 250,-0.0 24,-0.1 251,-0.0 -0.384 27.8-108.9 -65.5 147.6 43.0 6.6 137.6 9 8 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 23,-0.3 -0.231 33.8-112.4 -65.6 158.5 46.1 8.1 139.1 10 9 A T E -A 31 0A 79 21,-2.8 21,-2.2 22,-0.0 2,-0.7 -0.793 20.9-127.8 -97.9 138.3 48.8 5.8 140.2 11 10 A I E -A 30 0A 56 -2,-0.4 19,-0.2 19,-0.2 3,-0.1 -0.788 27.2-178.8 -81.9 113.7 49.6 5.5 143.9 12 11 A L E - 0 0 65 17,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.813 63.5 -7.3 -82.8 -38.0 53.3 6.1 144.2 13 12 A N E -A 29 0A 93 16,-1.1 16,-3.1 2,-0.0 2,-0.4 -0.960 52.3-157.9-160.5 146.6 53.7 5.7 147.9 14 13 A V E +A 28 0A 59 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.997 19.5 173.8-129.5 126.3 51.6 5.3 151.0 15 14 A E E -A 27 0A 58 12,-2.4 12,-3.3 -2,-0.4 2,-0.4 -0.996 33.7-124.8-138.8 135.1 52.9 6.2 154.5 16 15 A T E +A 26 0A 56 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.668 33.8 171.5 -73.9 124.9 51.3 6.3 157.9 17 16 A V E + 0 0 71 8,-3.1 2,-0.3 -2,-0.4 9,-0.2 0.407 60.1 14.5-119.3 -0.9 52.0 9.9 159.1 18 17 A A E -A 25 0A 11 7,-1.2 7,-2.9 185,-0.1 2,-0.4 -0.865 58.7-173.4-172.9 134.5 50.0 10.1 162.3 19 18 A R E +A 24 0A 173 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.982 5.2 174.0-143.6 126.4 48.2 7.7 164.6 20 19 A S - 0 0 23 3,-3.2 183,-0.1 -2,-0.4 -2,-0.0 -0.520 55.8 -84.0-109.6-169.6 45.9 8.2 167.6 21 20 A R S S+ 0 0 185 1,-0.2 3,-0.0 -2,-0.2 191,-0.0 0.848 128.9 18.2 -69.7 -31.1 44.0 5.5 169.6 22 21 A L S S+ 0 0 91 1,-0.1 2,-0.4 205,-0.0 -1,-0.2 0.529 120.3 64.3-115.7 -11.1 41.1 5.6 167.0 23 22 A F - 0 0 16 204,-0.1 -3,-3.2 20,-0.0 2,-0.5 -0.937 46.6-175.4-124.1 141.8 42.7 7.2 164.0 24 23 A T E -A 19 0A 41 -2,-0.4 20,-3.2 -5,-0.2 2,-0.5 -0.940 15.9-161.6-133.5 105.4 45.4 6.4 161.5 25 24 A V E -AB 18 43A 4 -7,-2.9 -8,-3.1 -2,-0.5 -7,-1.2 -0.778 5.2-161.6 -94.1 130.7 46.2 9.0 158.9 26 25 A E E -AB 16 42A 9 16,-3.4 16,-2.1 -2,-0.5 2,-0.5 -0.850 14.0-141.3-110.5 146.4 48.1 8.2 155.8 27 26 A S E -AB 15 41A 21 -12,-3.3 -12,-2.4 -2,-0.3 2,-0.5 -0.909 22.3-161.5-103.9 127.5 50.0 10.4 153.3 28 27 A V E -AB 14 40A 0 12,-3.6 12,-2.8 -2,-0.5 2,-0.5 -0.974 9.0-150.6-118.5 118.9 49.5 9.2 149.7 29 28 A D E -AB 13 39A 59 -16,-3.1 -17,-3.0 -2,-0.5 -16,-1.1 -0.757 25.9-172.6 -85.7 127.1 51.8 10.2 146.9 30 29 A L E -AB 11 38A 1 8,-3.0 8,-1.8 -2,-0.5 2,-0.5 -0.942 24.7-160.7-125.0 151.4 49.8 10.3 143.6 31 30 A E E -AB 10 37A 56 -21,-2.2 -21,-2.8 -2,-0.4 6,-0.2 -0.966 21.7-149.4-128.5 108.7 50.6 10.7 139.9 32 31 A F > - 0 0 4 4,-3.0 3,-1.9 -2,-0.5 -24,-0.1 -0.194 32.1 -98.3 -72.3 166.9 47.6 11.7 137.9 33 32 A S T 3 S+ 0 0 54 -26,-0.5 -1,-0.1 1,-0.3 -25,-0.1 0.704 123.9 55.9 -54.5 -31.1 47.1 10.7 134.2 34 33 A N T 3 S- 0 0 83 294,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.161 123.1-104.5 -88.0 9.1 48.4 14.1 133.0 35 34 A G S < S+ 0 0 42 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.422 72.8 145.3 82.4 -0.5 51.6 13.5 135.0 36 35 A V - 0 0 46 292,-0.2 -4,-3.0 -5,-0.1 2,-0.4 -0.495 35.9-151.3 -71.4 131.4 50.7 15.9 137.8 37 36 A R E +B 31 0A 155 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.895 22.0 163.1-109.3 140.7 52.0 14.8 141.2 38 37 A R E -B 30 0A 69 -8,-1.8 -8,-3.0 -2,-0.4 2,-0.6 -0.976 32.7-131.3-152.2 153.4 50.3 15.6 144.5 39 38 A V E -B 29 0A 57 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.969 29.6-173.6-112.6 114.9 50.5 14.3 148.1 40 39 A Y E -B 28 0A 63 -12,-2.8 -12,-3.6 -2,-0.6 2,-0.4 -0.751 14.0-140.0-106.5 162.1 47.0 13.7 149.6 41 40 A E E +B 27 0A 8 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.929 28.5 156.3-122.2 144.9 46.1 12.7 153.2 42 41 A R E -B 26 0A 9 -16,-2.1 -16,-3.4 -2,-0.4 2,-0.2 -0.976 45.3 -89.6-155.9 169.0 43.4 10.2 154.2 43 42 A M E -B 25 0A 20 77,-3.0 -18,-0.2 -2,-0.3 79,-0.1 -0.599 62.6 -87.0 -84.2 139.0 42.3 7.9 156.9 44 43 A R - 0 0 140 -20,-3.2 78,-0.2 -2,-0.2 -1,-0.1 -0.280 52.3-108.2 -48.3 128.0 43.7 4.4 156.6 45 44 A P + 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.324 44.0 179.8 -61.6 135.9 41.4 2.3 154.4 46 45 A T - 0 0 70 2,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.932 34.5-148.4-136.0 158.8 39.4 -0.3 156.2 47 46 A N + 0 0 158 -2,-0.3 2,-0.4 76,-0.1 -1,-0.0 0.293 63.5 119.3-107.4 5.1 36.8 -2.9 155.1 48 47 A R - 0 0 98 37,-0.0 76,-0.4 34,-0.0 2,-0.2 -0.592 52.1-158.6 -72.3 119.0 35.0 -2.6 158.5 49 48 A E - 0 0 49 -2,-0.4 34,-3.3 34,-0.3 2,-0.2 -0.662 6.9-134.0-103.8 163.1 31.5 -1.5 157.6 50 49 A A E -Cd 82 125B 9 74,-2.7 76,-2.4 32,-0.3 2,-0.4 -0.696 9.0-150.9-108.7 163.2 28.8 0.2 159.6 51 50 A V E -Cd 81 126B 0 30,-3.0 30,-2.4 -2,-0.2 2,-0.4 -0.979 3.3-164.4-135.9 139.5 25.0 -0.4 160.0 52 51 A M E -Cd 80 127B 0 74,-2.9 76,-3.0 -2,-0.4 2,-0.5 -0.999 14.2-151.7-125.2 130.7 22.2 2.1 160.7 53 52 A I E -Cd 79 128B 0 26,-2.6 26,-0.8 -2,-0.4 76,-0.2 -0.918 11.2-166.0-114.0 133.1 18.8 0.7 161.8 54 53 A V E - d 0 129B 0 74,-2.7 76,-1.9 -2,-0.5 2,-0.3 -0.860 16.0-162.9-115.2 93.7 15.4 2.3 161.3 55 54 A P E - d 0 130B 2 0, 0.0 7,-1.7 0, 0.0 2,-0.4 -0.562 4.3-167.2 -81.5 133.8 12.9 0.6 163.5 56 55 A I E +G 61 0C 6 74,-2.8 76,-0.4 -2,-0.3 2,-0.3 -0.998 14.1 164.3-122.1 123.1 9.2 1.0 162.8 57 56 A V E > -G 60 0C 28 3,-2.2 3,-1.9 -2,-0.4 74,-0.0 -0.990 67.8 -9.6-140.7 132.0 6.6 -0.1 165.4 58 57 A D T 3 S- 0 0 133 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.890 128.5 -52.9 45.8 54.7 2.9 0.8 165.5 59 58 A D T 3 S+ 0 0 95 1,-0.2 94,-2.3 93,-0.1 95,-0.4 0.726 117.6 107.6 56.3 25.8 3.2 3.4 162.8 60 59 A H E < -GH 57 152C 66 -3,-1.9 -3,-2.2 92,-0.3 2,-0.3 -0.944 66.4-129.1-130.6 149.6 6.1 5.2 164.5 61 60 A L E -GH 56 151C 1 90,-4.0 90,-2.4 -2,-0.3 2,-0.6 -0.683 23.4-134.6 -85.2 151.2 9.8 5.5 163.9 62 61 A I E + H 0 150C 2 -7,-1.7 17,-0.3 -2,-0.3 2,-0.2 -0.972 31.1 178.6-110.6 110.7 12.0 4.7 167.0 63 62 A L E - H 0 149C 0 86,-3.3 86,-2.8 -2,-0.6 2,-0.3 -0.706 13.4-146.2-106.4 165.4 14.7 7.3 167.2 64 63 A I E -IH 77 148C 5 13,-3.0 13,-2.2 -2,-0.2 2,-0.5 -0.906 9.7-133.0-131.2 156.7 17.4 7.7 169.9 65 64 A R E +I 76 0C 64 82,-2.0 2,-0.4 -2,-0.3 11,-0.2 -0.927 33.9 173.8-106.4 128.9 19.3 10.6 171.6 66 65 A E E -I 75 0C 54 9,-1.7 9,-3.1 -2,-0.5 7,-0.1 -0.990 32.3-113.2-145.2 134.9 23.0 10.1 171.7 67 66 A Y E -I 74 0C 11 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.373 25.2-164.4 -68.0 141.4 25.9 12.3 172.8 68 67 A A E >>> -I 73 0C 0 5,-2.5 5,-1.5 1,-0.1 4,-1.1 -0.973 9.0-163.7-128.4 111.0 28.4 13.4 170.1 69 68 A V T 345S+ 0 0 1 -2,-0.5 235,-0.2 235,-0.4 236,-0.1 0.713 84.3 69.5 -68.3 -24.3 31.7 14.8 171.3 70 69 A G T 345S+ 0 0 3 233,-1.0 -1,-0.2 1,-0.2 234,-0.2 0.902 120.7 17.2 -61.8 -40.6 32.5 16.4 167.9 71 70 A T T <45S- 0 0 41 232,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.404 101.9-128.1-107.5 -5.5 29.8 19.0 168.4 72 71 A E T <5S+ 0 0 70 -4,-1.1 2,-0.3 231,-0.3 -3,-0.2 0.954 73.0 98.4 54.1 57.1 29.4 18.5 172.2 73 72 A S E - 0 0 59 -2,-0.6 3,-2.4 4,-0.1 8,-0.1 -0.520 36.0 -86.7 -75.7 146.1 31.6 -7.2 163.4 85 84 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.214 118.0 24.5 -50.2 131.0 33.8 -9.4 161.2 86 85 A G T 3 S+ 0 0 85 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.193 98.4 114.6 96.9 -18.6 31.8 -12.5 160.2 87 86 A E < - 0 0 44 -3,-2.4 -1,-0.3 4,-0.0 2,-0.1 -0.643 59.4-137.5 -88.3 142.7 28.4 -10.8 160.6 88 87 A S > - 0 0 47 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 -0.435 34.6-101.4 -84.0 173.7 25.9 -10.2 157.8 89 88 A V H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.839 123.5 52.6 -64.5 -35.4 24.1 -6.8 157.8 90 89 A Y H > S+ 0 0 110 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.945 110.5 47.8 -65.3 -42.5 20.9 -8.4 159.2 91 90 A E H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.906 113.2 46.1 -65.7 -45.9 22.9 -9.9 162.1 92 91 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.937 113.5 50.9 -64.2 -41.9 24.7 -6.7 163.0 93 92 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.939 111.5 46.5 -60.4 -49.3 21.4 -4.8 162.7 94 93 A N H X S+ 0 0 31 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.931 114.9 47.1 -58.9 -46.6 19.6 -7.2 165.0 95 94 A R H X S+ 0 0 35 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.924 112.3 49.2 -62.0 -48.1 22.4 -7.2 167.6 96 95 A E H X S+ 0 0 15 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.890 110.2 50.9 -61.6 -41.7 22.7 -3.4 167.5 97 96 A L H X>S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.2 6,-0.8 0.930 111.4 48.3 -58.7 -49.7 19.0 -2.9 168.0 98 97 A K H X5S+ 0 0 26 -4,-2.1 40,-1.1 4,-0.2 4,-1.0 0.902 115.1 45.3 -56.2 -45.7 19.0 -5.3 171.0 99 98 A E H <5S+ 0 0 35 -4,-2.5 41,-0.4 38,-0.2 -1,-0.2 0.847 124.0 31.9 -67.7 -38.7 22.0 -3.5 172.5 100 99 A E H <5S+ 0 0 27 -4,-2.6 46,-0.3 -5,-0.2 -2,-0.2 0.870 135.1 15.9 -94.4 -31.3 20.7 -0.0 172.0 101 100 A V H <5S- 0 0 10 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.1 0.426 94.8-114.2-124.5 -0.5 16.9 -0.2 172.3 102 101 A G S <> - 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E 0 105B 28 -28,-0.3 -28,-0.2 -77,-0.2 -1,-0.1 -0.470 16.4-171.7 -82.4 156.0 10.0 -6.2 167.0 134 133 A Y E - E 0 104B 62 -30,-1.8 -30,-2.9 -2,-0.2 2,-0.2 -0.972 35.8 -92.7-145.6 145.3 10.1 -8.3 170.2 135 134 A P E + E 0 103B 111 0, 0.0 -32,-0.3 0, 0.0 2,-0.2 -0.412 60.3 137.1 -63.6 130.0 11.7 -7.5 173.6 136 135 A E - 0 0 78 -34,-2.5 2,-0.3 -2,-0.2 -35,-0.1 -0.698 31.9-154.9-175.9 122.1 15.3 -8.8 173.9 137 136 A S - 0 0 94 -2,-0.2 2,-0.3 -36,-0.1 -38,-0.2 -0.775 9.9-177.3-112.9 145.8 18.2 -6.9 175.5 138 137 A L - 0 0 67 -40,-1.1 2,-0.6 -2,-0.3 -36,-0.1 -0.957 36.6-100.4-134.8 152.4 22.0 -7.2 175.0 139 138 A E - 0 0 173 -2,-0.3 -40,-0.1 2,-0.0 2,-0.1 -0.652 43.0-175.7 -78.9 118.1 24.9 -5.4 176.7 140 139 A G - 0 0 4 -2,-0.6 -44,-0.0 -41,-0.4 -40,-0.0 -0.338 34.8-112.2-101.4-170.9 26.3 -2.6 174.6 141 140 A D + 0 0 133 -2,-0.1 -2,-0.0 3,-0.0 -1,-0.0 0.261 66.4 131.3-107.1 8.9 29.2 -0.3 175.2 142 141 A E - 0 0 62 1,-0.1 -2,-0.1 -43,-0.1 4,-0.1 -0.379 53.2-144.6 -64.3 139.1 27.4 3.0 175.7 143 142 A P S S+ 0 0 15 0, 0.0 78,-0.2 0, 0.0 -1,-0.1 0.704 83.7 21.1 -75.2 -23.8 28.4 5.0 178.8 144 143 A E S S- 0 0 24 74,-0.0 -3,-0.0 73,-0.0 -2,-0.0 -0.976 95.9 -85.0-144.2 156.2 24.8 6.1 179.3 145 144 A P - 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