==== 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 1VHG . COMPND 2 MOLECULE: ADP COMPOUNDS HYDROLASE NUDE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR STRUCTURAL GENOMIX . 370 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 28.1 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 . 39 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.8 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 . 4 1.1 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 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 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 2 A S 0 0 184 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 7.7 38.0 12.6 125.2 2 3 A K - 0 0 95 1,-0.0 3,-0.1 3,-0.0 2,-0.0 -0.876 360.0-111.9-123.4 151.4 39.8 10.2 127.5 3 4 A S - 0 0 115 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.313 46.2 -86.5 -70.1 158.8 38.6 7.8 130.2 4 5 A L - 0 0 84 -2,-0.0 2,-0.4 1,-0.0 -1,-0.1 -0.471 40.4-164.4 -63.9 141.7 39.4 8.4 133.9 5 6 A Q - 0 0 130 -2,-0.1 26,-0.5 -3,-0.1 3,-0.1 -0.988 19.8-127.9-132.8 110.4 42.7 7.0 135.0 6 7 A K - 0 0 133 -2,-0.4 251,-0.0 1,-0.1 250,-0.0 -0.338 30.6 -99.9 -59.5 149.3 43.2 6.7 138.7 7 8 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 23,-0.2 -0.108 35.2-114.3 -61.5 158.7 46.3 8.2 140.3 8 9 A T E -A 29 0A 77 21,-3.0 21,-2.3 -3,-0.1 2,-1.0 -0.846 24.6-125.4 -98.9 134.6 49.2 5.9 141.1 9 10 A I E -A 28 0A 58 -2,-0.4 19,-0.2 19,-0.2 3,-0.1 -0.737 28.0-177.6 -80.5 106.1 49.9 5.6 144.8 10 11 A L E - 0 0 58 17,-2.3 2,-0.3 -2,-1.0 -1,-0.2 0.954 63.4 -15.1 -67.2 -50.3 53.6 6.5 145.2 11 12 A N E -A 27 0A 80 16,-1.0 16,-3.0 2,-0.0 2,-0.4 -0.957 50.6-154.5-163.3 139.7 53.8 5.9 148.9 12 13 A V E +A 26 0A 54 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.901 21.4 174.2-112.4 139.4 51.8 5.4 152.0 13 14 A E E -A 25 0A 60 12,-1.7 12,-2.6 -2,-0.4 2,-0.3 -0.932 35.1-121.1-153.1 128.6 53.1 6.2 155.5 14 15 A T E +A 24 0A 62 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.488 34.5 171.7 -65.6 123.4 51.6 6.3 159.0 15 16 A V E + 0 0 67 8,-2.4 2,-0.3 1,-0.4 9,-0.2 0.583 62.3 10.1-109.7 -19.1 52.2 10.0 160.2 16 17 A A E -A 23 0A 11 7,-1.4 7,-2.3 186,-0.1 2,-0.4 -0.952 57.0-172.5-164.2 138.6 50.2 10.0 163.4 17 18 A R E +A 22 0A 174 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.987 8.4 168.9-141.8 123.8 48.5 7.5 165.7 18 19 A S - 0 0 24 3,-3.2 193,-0.0 -2,-0.4 207,-0.0 -0.164 58.9 -77.8-105.8-147.1 46.3 8.1 168.7 19 20 A R S S+ 0 0 173 -2,-0.1 3,-0.1 1,-0.1 206,-0.0 0.295 127.7 10.0-101.6 3.9 44.3 5.4 170.5 20 21 A L S S+ 0 0 103 1,-0.2 2,-0.5 206,-0.1 -1,-0.1 0.302 120.5 72.6-153.9 -11.2 41.5 5.3 167.9 21 22 A F + 0 0 18 205,-0.1 -3,-3.2 20,-0.0 2,-0.5 -0.946 45.8 177.1-123.5 125.0 42.9 7.4 165.1 22 23 A T E -A 17 0A 35 -2,-0.5 20,-3.4 -5,-0.2 2,-0.3 -0.914 15.2-162.3-126.2 104.4 45.7 6.5 162.7 23 24 A V E -AB 16 41A 1 -7,-2.3 -8,-2.4 -2,-0.5 -7,-1.4 -0.643 5.1-158.7 -88.5 141.1 46.4 9.1 160.0 24 25 A E E -AB 14 40A 7 16,-3.5 16,-2.1 -2,-0.3 2,-0.5 -0.880 13.1-138.5-118.8 152.2 48.3 8.3 156.9 25 26 A S E -AB 13 39A 19 -12,-2.6 -12,-1.7 -2,-0.3 2,-0.5 -0.950 22.5-160.3-107.6 125.9 50.2 10.4 154.4 26 27 A V E -AB 12 38A 0 12,-4.0 12,-3.2 -2,-0.5 2,-0.6 -0.963 8.6-152.4-118.0 123.1 49.6 9.4 150.7 27 28 A D E -AB 11 37A 48 -16,-3.0 -17,-2.3 -2,-0.5 -16,-1.0 -0.835 24.2-171.3 -87.8 121.3 52.0 10.3 147.9 28 29 A L E -AB 9 36A 0 8,-3.5 8,-2.3 -2,-0.6 2,-0.6 -0.941 23.5-164.9-124.6 141.5 50.0 10.5 144.6 29 30 A E E -AB 8 35A 59 -21,-2.3 -21,-3.0 -2,-0.4 6,-0.2 -0.963 23.2-150.1-118.3 109.7 50.9 10.8 141.0 30 31 A F > - 0 0 5 4,-3.5 3,-2.6 -2,-0.6 -24,-0.1 -0.308 31.8 -97.4 -75.9 167.6 47.9 11.8 138.9 31 32 A S T 3 S+ 0 0 54 -26,-0.5 -1,-0.1 1,-0.3 -25,-0.1 0.791 125.1 56.7 -49.7 -35.6 47.4 10.8 135.2 32 33 A N T 3 S- 0 0 81 295,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.106 122.6-105.3 -84.3 19.3 48.7 14.2 134.2 33 34 A G S < S+ 0 0 45 -3,-2.6 2,-0.3 1,-0.2 -2,-0.2 0.579 72.7 146.7 72.7 1.5 52.0 13.6 136.1 34 35 A V - 0 0 41 293,-0.2 -4,-3.5 -4,-0.1 2,-0.4 -0.622 35.7-152.3 -74.8 131.1 50.9 16.0 138.8 35 36 A R E +B 29 0A 152 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.904 21.3 164.6-107.0 138.3 52.3 14.8 142.2 36 37 A R E -B 28 0A 92 -8,-2.3 -8,-3.5 -2,-0.4 2,-0.5 -0.988 32.1-133.9-150.7 154.6 50.7 15.6 145.5 37 38 A V E -B 27 0A 60 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.964 28.2-177.4-110.6 116.2 50.7 14.4 149.1 38 39 A Y E -B 26 0A 72 -12,-3.2 -12,-4.0 -2,-0.5 2,-0.4 -0.820 16.9-139.3-112.6 157.0 47.3 13.9 150.7 39 40 A E E +B 25 0A 10 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.888 29.9 159.2-113.3 143.3 46.5 12.9 154.3 40 41 A R E -B 24 0A 5 -16,-2.1 -16,-3.5 -2,-0.4 2,-0.3 -0.957 44.7 -87.1-150.6 174.9 43.7 10.4 155.2 41 42 A X E -B 23 0A 20 77,-2.8 -18,-0.2 -2,-0.3 3,-0.1 -0.688 60.6 -92.8 -87.0 136.7 42.5 8.1 157.9 42 43 A R - 0 0 129 -20,-3.4 78,-0.2 -2,-0.3 -20,-0.1 -0.296 53.0-109.0 -51.4 127.5 44.0 4.6 157.7 43 44 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.320 40.4-175.1 -63.3 140.6 41.6 2.6 155.6 44 45 A T - 0 0 70 2,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.967 32.1-150.5-133.5 156.3 39.6 -0.1 157.3 45 46 A N + 0 0 157 -2,-0.3 2,-0.5 76,-0.1 -1,-0.0 0.240 63.7 123.3-104.4 3.1 37.1 -2.7 156.0 46 47 A R - 0 0 93 1,-0.0 76,-0.3 37,-0.0 2,-0.2 -0.585 51.6-155.6 -68.0 114.2 35.4 -2.4 159.4 47 48 A E - 0 0 49 -2,-0.5 34,-2.9 34,-0.3 2,-0.2 -0.633 5.6-137.7-100.8 159.2 31.8 -1.5 158.6 48 49 A A E -Cd 80 123B 10 74,-3.0 76,-2.0 32,-0.2 2,-0.3 -0.619 8.8-150.8-106.7 165.5 29.1 0.3 160.6 49 50 A V E -Cd 79 124B 0 30,-3.3 30,-2.8 74,-0.2 2,-0.4 -0.966 3.4-163.1-139.7 145.2 25.4 -0.4 161.0 50 51 A X E -Cd 78 125B 0 74,-2.5 76,-3.5 -2,-0.3 2,-0.5 -0.998 10.8-153.3-131.3 123.2 22.5 1.9 161.7 51 52 A I E -Cd 77 126B 0 26,-2.0 26,-0.6 -2,-0.4 76,-0.2 -0.916 11.7-171.1-110.5 131.2 19.2 0.7 162.9 52 53 A V E - d 0 127B 0 74,-2.1 76,-1.6 -2,-0.5 2,-0.2 -0.886 17.1-164.4-115.7 88.1 15.8 2.4 162.4 53 54 A P E - d 0 128B 1 0, 0.0 7,-1.9 0, 0.0 2,-0.4 -0.587 2.6-164.2 -76.5 136.9 13.3 0.5 164.6 54 55 A I B +G 59 0C 5 74,-2.3 76,-0.5 -2,-0.2 5,-0.2 -0.996 17.6 160.4-123.2 124.1 9.6 1.1 163.9 55 56 A V - 0 0 45 3,-2.0 2,-0.9 -2,-0.4 75,-0.1 0.719 69.7 -0.3-112.6 -85.1 7.0 0.0 166.5 56 57 A D S S- 0 0 118 1,-0.1 3,-0.1 3,-0.1 95,-0.1 -0.575 126.9 -59.0-107.6 67.2 3.4 1.4 166.6 57 58 A D S S+ 0 0 84 -2,-0.9 94,-2.4 1,-0.3 95,-0.5 0.849 117.0 116.5 63.1 32.5 3.8 3.7 163.6 58 59 A H E - H 0 150C 61 92,-0.3 -3,-2.0 93,-0.1 2,-0.3 -0.965 65.7-130.8-130.7 148.3 6.6 5.3 165.6 59 60 A L E -GH 54 149C 0 90,-3.4 90,-3.0 -2,-0.3 2,-0.8 -0.773 20.2-136.9 -92.2 135.8 10.3 5.6 165.0 60 61 A I E + H 0 148C 3 -7,-1.9 17,-0.3 -2,-0.3 2,-0.2 -0.916 33.4 176.6 -97.1 104.2 12.5 4.6 168.1 61 62 A L E - H 0 147C 0 86,-3.7 86,-2.9 -2,-0.8 2,-0.3 -0.658 14.8-145.4 -99.8 163.3 15.1 7.4 168.2 62 63 A I E -IH 75 146C 3 13,-3.3 13,-2.5 84,-0.2 2,-0.5 -0.919 8.2-133.7-130.5 156.5 17.8 7.7 170.8 63 64 A R E +I 74 0C 64 82,-1.8 2,-0.4 -2,-0.3 11,-0.2 -0.945 33.3 173.9-107.8 121.1 19.6 10.6 172.6 64 65 A E E -I 73 0C 56 9,-2.0 9,-2.8 -2,-0.5 2,-0.2 -0.976 32.4-114.7-138.7 136.6 23.4 10.3 172.8 65 66 A Y E -I 72 0C 10 -2,-0.4 2,-0.5 7,-0.2 7,-0.2 -0.382 25.0-162.6 -66.9 133.9 26.2 12.4 173.9 66 67 A A E >> -I 71 0C 0 5,-2.6 5,-1.6 -2,-0.2 4,-0.8 -0.968 8.8-163.7-119.7 114.5 28.7 13.5 171.2 67 68 A V T 45S+ 0 0 2 -2,-0.5 236,-0.2 236,-0.3 237,-0.1 0.820 86.0 68.0 -71.0 -28.9 32.1 14.7 172.5 68 69 A G T 45S+ 0 0 2 235,-0.6 -1,-0.2 234,-0.6 235,-0.2 0.886 120.3 19.2 -56.6 -41.6 33.0 16.3 169.1 69 70 A T T 45S- 0 0 39 233,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.283 101.6-126.8-108.3 -1.6 30.2 18.9 169.7 70 71 A E T <5S+ 0 0 65 -4,-0.8 2,-0.3 232,-0.3 -3,-0.2 0.891 74.4 94.2 54.4 47.9 29.8 18.5 173.4 71 72 A S E - 0 0 59 -2,-0.7 3,-2.8 1,-0.1 8,-0.1 -0.406 36.0 -83.8 -70.0 147.7 32.0 -7.2 164.4 83 84 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.200 119.5 21.0 -44.8 128.1 34.3 -9.3 162.2 84 85 A G T 3 S+ 0 0 83 1,-0.3 2,-0.1 -3,-0.1 -2,-0.1 -0.011 96.8 115.3 97.4 -25.5 32.2 -12.3 161.1 85 86 A E < - 0 0 39 -3,-2.8 -1,-0.3 1,-0.1 2,-0.1 -0.468 58.5-135.5 -82.2 148.6 28.7 -10.8 161.7 86 87 A S > - 0 0 47 -2,-0.1 4,-2.3 -3,-0.1 5,-0.3 -0.387 34.7-100.1 -87.7 175.2 26.3 -10.2 158.9 87 88 A V H > S+ 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.902 125.9 52.0 -62.9 -38.5 24.4 -6.8 158.7 88 89 A Y H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.965 110.1 47.3 -61.3 -48.2 21.4 -8.7 160.2 89 90 A E H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.907 114.7 45.3 -61.0 -46.8 23.4 -10.1 163.1 90 91 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.880 112.6 51.2 -65.8 -39.9 25.1 -6.8 164.0 91 92 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 5,-0.2 0.958 111.9 46.2 -64.8 -46.4 21.8 -4.8 163.7 92 93 A N H X S+ 0 0 24 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.869 114.9 47.3 -65.0 -36.5 20.0 -7.2 166.0 93 94 A R H X S+ 0 0 33 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.922 112.6 46.9 -68.9 -50.2 22.8 -7.3 168.6 94 95 A E H X S+ 0 0 20 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.822 110.4 53.3 -62.1 -37.5 23.4 -3.5 168.7 95 96 A L H X>S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 6,-1.0 0.903 110.5 49.1 -64.9 -41.5 19.6 -2.9 169.1 96 97 A K H <5S+ 0 0 27 -4,-1.4 40,-1.9 4,-0.2 -2,-0.2 0.831 114.5 43.4 -65.6 -39.4 19.6 -5.3 172.0 97 98 A E H <5S+ 0 0 35 -4,-1.8 41,-0.4 38,-0.2 -2,-0.2 0.884 124.7 32.7 -74.7 -40.1 22.6 -3.7 173.7 98 99 A E H <5S+ 0 0 21 -4,-2.6 46,-0.4 -5,-0.2 -2,-0.2 0.789 136.2 15.6 -90.2 -31.1 21.5 -0.1 173.2 99 100 A V T <5S- 0 0 13 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.435 95.2-117.3-121.5 -11.8 17.6 -0.2 173.3 100 101 A G S > - 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E 0 103B 36 -28,-0.2 -28,-0.2 -77,-0.2 -1,-0.1 -0.417 16.2-169.7 -82.9 154.6 10.5 -6.2 168.2 132 133 A Y E - E 0 102B 63 -30,-1.9 -30,-2.7 -2,-0.1 2,-0.0 -0.989 34.4 -99.5-144.2 134.5 10.8 -8.4 171.3 133 134 A P E + E 0 101B 108 0, 0.0 -32,-0.2 0, 0.0 2,-0.2 -0.368 59.6 137.5 -58.0 132.7 12.3 -7.5 174.7 134 135 A E - 0 0 82 -34,-2.6 2,-0.4 -38,-0.1 -2,-0.1 -0.642 33.4-152.7-177.3 120.1 15.8 -8.8 175.1 135 136 A S - 0 0 98 -2,-0.2 2,-0.3 -36,-0.1 -38,-0.2 -0.891 10.8-177.0-113.5 138.4 18.7 -6.9 176.6 136 137 A L - 0 0 62 -40,-1.9 2,-0.6 -2,-0.4 -36,-0.1 -0.859 34.7-101.2-122.8 160.0 22.5 -7.3 176.0 137 138 A E + 0 0 171 -2,-0.3 -40,-0.1 2,-0.0 2,-0.1 -0.680 42.7 178.4 -86.9 119.1 25.4 -5.5 177.7 138 139 A G - 0 0 5 -2,-0.6 -44,-0.0 -41,-0.4 -1,-0.0 -0.303 39.4-107.1-104.8-166.4 27.0 -2.7 175.6 139 140 A D + 0 0 139 -2,-0.1 -2,-0.0 3,-0.0 -41,-0.0 0.203 67.3 132.8-108.6 14.4 29.8 -0.2 176.3 140 141 A E - 0 0 64 1,-0.1 -2,-0.1 -43,-0.1 4,-0.0 -0.473 50.1-147.7 -68.7 139.6 27.8 2.9 176.8 141 142 A P S S+ 0 0 17 0, 0.0 79,-0.3 0, 0.0 -1,-0.1 0.629 83.5 21.8 -79.2 -20.5 28.7 4.9 179.9 142 143 A E S S- 0 0 24 75,-0.1 -3,-0.0 74,-0.0 2,-0.0 -0.971 95.1 -92.9-145.8 150.2 25.2 6.2 180.5 143 144 A P - 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