==== 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 1VIU . COMPND 2 MOLECULE: ADP-RIBOSE PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR STRUCTURAL GENOMIX . 715 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32620.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 533 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 209 29.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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-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 . 3 0.4 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 . 75 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.5 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 4 0 0 0 0 0 4 2 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 0 0 0 0 4 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 4 8 0 5 3 4 2 2 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 4 0 0 0 4 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 3 A Q 0 0 135 0, 0.0 3,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 18.7 19.9 29.8 9.4 2 4 A Q + 0 0 139 1,-0.2 24,-2.5 23,-0.1 2,-0.4 0.740 360.0 31.9 -76.1 -22.2 20.1 30.9 13.1 3 5 A I E S-A 25 0A 31 22,-0.2 2,-0.4 29,-0.0 22,-0.2 -0.998 78.5-161.2-136.7 128.4 19.8 34.5 11.8 4 6 A T E -A 24 0A 67 20,-3.4 20,-2.4 -2,-0.4 2,-0.6 -0.943 16.9-132.5-120.6 131.8 17.8 35.4 8.7 5 7 A L E +A 23 0A 90 -2,-0.4 18,-0.2 18,-0.2 3,-0.1 -0.666 25.4 175.3 -79.0 115.5 17.9 38.6 6.6 6 8 A I E - 0 0 60 16,-2.4 2,-0.3 -2,-0.6 17,-0.2 0.896 63.4 -24.0 -87.4 -46.9 14.4 39.9 6.1 7 9 A K E -A 22 0A 118 15,-1.8 15,-2.6 2,-0.0 2,-0.8 -0.847 43.6-148.4-171.7 134.5 15.2 43.1 4.2 8 10 A D E -A 21 0A 72 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.860 24.8-167.0-106.8 97.7 18.0 45.6 3.8 9 11 A K E -A 20 0A 114 11,-2.7 11,-2.1 -2,-0.8 2,-0.8 -0.717 15.8-136.5 -89.8 134.6 16.4 49.1 3.2 10 12 A I E +A 19 0A 82 -2,-0.4 9,-0.2 9,-0.2 3,-0.2 -0.793 25.2 173.2 -91.2 110.3 18.6 51.9 2.0 11 13 A L E S+ 0 0 38 7,-2.3 2,-0.3 -2,-0.8 8,-0.2 0.769 73.5 3.6 -85.1 -28.4 17.7 55.1 3.9 12 14 A S E +A 18 0A 14 6,-1.5 6,-2.4 182,-0.1 -1,-0.3 -0.925 47.1 172.1-161.0 131.8 20.6 57.1 2.4 13 15 A D + 0 0 109 -2,-0.3 4,-0.2 4,-0.2 -1,-0.0 -0.202 39.1 129.7-134.4 42.5 23.2 56.4 -0.3 14 16 A N S S- 0 0 83 2,-0.2 3,-0.1 4,-0.0 -1,-0.1 0.986 97.4 -40.1 -58.9 -67.8 24.7 60.0 -0.6 15 17 A Y S S+ 0 0 164 1,-0.5 2,-0.2 -3,-0.1 -2,-0.0 0.506 136.8 28.6-129.6 -51.9 28.4 59.0 -0.2 16 18 A F S S- 0 0 31 27,-0.0 -1,-0.5 26,-0.0 2,-0.5 -0.503 92.1-105.0-103.0 178.5 28.3 56.4 2.5 17 19 A T E - B 0 41A 26 24,-2.1 24,-3.0 -2,-0.2 2,-0.6 -0.933 22.2-167.6-119.8 126.4 25.4 54.1 3.2 18 20 A L E -AB 12 40A 0 -6,-2.4 -7,-2.3 -2,-0.5 -6,-1.5 -0.934 19.5-170.3-106.7 122.0 22.8 54.2 6.0 19 21 A H E -AB 10 39A 25 20,-3.9 20,-2.4 -2,-0.6 2,-0.5 -0.699 25.1-152.2-109.2 161.6 20.7 51.0 6.2 20 22 A N E -AB 9 38A 10 -11,-2.1 -11,-2.7 18,-0.3 2,-0.5 -0.961 29.6-163.7-130.2 105.3 17.6 50.0 8.1 21 23 A I E -AB 8 37A 2 16,-3.1 16,-2.5 -2,-0.5 2,-0.5 -0.864 11.7-161.7-104.1 129.9 18.0 46.2 8.4 22 24 A T E +AB 7 36A 13 -15,-2.6 -16,-2.4 -2,-0.5 -15,-1.8 -0.932 23.6 164.0-108.8 123.7 15.2 43.9 9.3 23 25 A Y E -AB 5 35A 8 12,-1.9 12,-2.4 -2,-0.5 2,-0.4 -0.971 31.9-139.2-143.6 157.2 16.2 40.4 10.6 24 26 A D E -AB 4 34A 23 -20,-2.4 -20,-3.4 -2,-0.3 2,-0.4 -0.943 22.7-177.3-114.7 132.1 14.9 37.3 12.4 25 27 A L E -AB 3 33A 39 8,-1.7 8,-1.0 -2,-0.4 -22,-0.2 -0.994 19.0-131.9-135.2 140.1 17.1 35.5 15.0 26 28 A T - 0 0 47 -24,-2.5 2,-0.3 -2,-0.4 6,-0.2 0.069 22.1-138.7 -70.5-172.0 16.5 32.3 17.0 27 29 A R - 0 0 51 4,-0.1 -1,-0.1 1,-0.0 298,-0.0 -0.903 31.8-102.4-144.3 169.7 17.1 32.1 20.8 28 30 A K S S+ 0 0 117 -2,-0.3 -1,-0.0 1,-0.1 -2,-0.0 0.760 125.8 54.4 -64.5 -20.8 18.6 29.5 23.2 29 31 A D S S- 0 0 94 2,-0.1 -1,-0.1 -3,-0.0 -3,-0.1 0.978 116.7-105.3 -72.8 -83.8 14.9 29.0 23.7 30 32 A G S S+ 0 0 57 1,-0.1 2,-0.1 0, 0.0 -2,-0.1 0.312 74.9 116.8 165.7 1.5 13.4 28.3 20.3 31 33 A E - 0 0 144 -5,-0.0 2,-0.4 -6,-0.0 -4,-0.1 -0.451 48.9-147.7 -88.8 163.1 11.5 31.4 19.2 32 34 A V + 0 0 79 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.812 22.9 171.4-135.2 93.9 12.3 33.6 16.2 33 35 A I E -B 25 0A 49 -8,-1.0 -8,-1.7 -2,-0.4 2,-0.3 -0.757 24.6-128.9-103.9 149.5 11.6 37.3 16.7 34 36 A R E -B 24 0A 147 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.727 19.2-169.3-101.1 148.7 12.5 40.1 14.3 35 37 A H E -B 23 0A 47 -12,-2.4 -12,-1.9 -2,-0.3 2,-0.4 -0.793 14.9-140.3-124.9 166.8 14.3 43.4 15.0 36 38 A K E -B 22 0A 126 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.998 23.9-179.0-131.0 126.2 14.9 46.5 13.0 37 39 A R E -B 21 0A 109 -16,-2.5 -16,-3.1 -2,-0.4 2,-0.4 -0.991 26.4-133.3-134.1 132.3 18.3 48.2 13.2 38 40 A E E -B 20 0A 9 -2,-0.4 2,-0.4 -18,-0.2 -18,-0.3 -0.659 29.9-170.6 -79.0 130.8 19.7 51.3 11.6 39 41 A V E -B 19 0A 0 -20,-2.4 -20,-3.9 -2,-0.4 2,-0.5 -0.987 11.1-158.4-130.8 124.6 23.2 50.5 10.3 40 42 A Y E -Bc 18 123A 0 82,-3.3 84,-2.3 -2,-0.4 2,-0.5 -0.871 8.1-168.3-103.6 132.8 25.7 53.0 9.0 41 43 A D E +B 17 0A 52 -24,-3.0 -24,-2.1 -2,-0.5 3,-0.1 -0.921 24.1 156.9-126.1 107.0 28.4 51.8 6.7 42 44 A R - 0 0 23 -2,-0.5 -1,-0.1 1,-0.3 -24,-0.0 0.076 59.9-107.9-111.7 22.0 31.4 54.0 5.8 43 45 A G - 0 0 28 -26,-0.1 -1,-0.3 42,-0.1 2,-0.1 0.054 42.4 -68.3 74.9 168.9 33.7 51.2 4.9 44 46 A N - 0 0 33 81,-0.2 42,-2.5 -3,-0.1 43,-0.4 -0.458 50.1-175.1 -93.5 167.4 36.7 50.0 6.9 45 47 A G E -De 85 127B 1 81,-2.1 83,-2.5 40,-0.3 2,-0.3 -0.790 16.8-123.3-146.0-170.3 40.0 51.7 7.5 46 48 A A E -De 84 128B 0 38,-2.7 38,-2.4 81,-0.3 2,-0.3 -0.984 14.7-171.3-144.1 152.3 43.4 51.6 9.0 47 49 A T E -De 83 129B 0 81,-2.2 83,-1.9 -2,-0.3 2,-0.4 -0.977 4.7-165.4-142.5 153.7 45.5 53.6 11.5 48 50 A I E -De 82 130B 0 34,-2.6 34,-0.5 -2,-0.3 2,-0.5 -0.999 13.7-143.7-145.7 141.9 49.1 53.5 12.5 49 51 A L E - e 0 131B 0 81,-1.8 83,-1.5 -2,-0.4 2,-0.6 -0.905 16.2-151.0-104.2 131.1 51.2 54.9 15.3 50 52 A L E +Fe 59 132B 1 9,-1.1 9,-2.7 -2,-0.5 2,-0.3 -0.904 21.3 176.6-103.5 122.8 54.7 56.1 14.5 51 53 A Y E -Fe 58 133B 17 81,-1.5 83,-1.5 -2,-0.6 2,-0.5 -0.940 21.6-149.6-128.9 151.0 57.3 55.8 17.3 52 54 A N E >> -F 57 0B 14 5,-3.1 5,-1.5 -2,-0.3 4,-0.7 -0.969 3.7-168.0-123.0 115.9 61.0 56.5 17.6 53 55 A T T 45S+ 0 0 50 -2,-0.5 -1,-0.1 3,-0.2 80,-0.0 0.779 85.7 61.5 -71.4 -27.9 63.1 54.5 20.0 54 56 A K T 45S+ 0 0 191 1,-0.2 -1,-0.2 3,-0.1 81,-0.0 0.989 122.5 17.4 -63.5 -60.3 66.1 56.8 19.7 55 57 A K T 45S- 0 0 81 2,-0.1 -1,-0.2 94,-0.0 -2,-0.2 0.261 102.5-119.9 -99.0 14.7 64.3 59.9 21.0 56 58 A K T <5 + 0 0 91 -4,-0.7 94,-2.1 1,-0.2 95,-0.4 0.922 66.6 137.7 49.3 52.8 61.4 58.2 22.7 57 59 A T E < -FG 52 149B 13 -5,-1.5 -5,-3.1 92,-0.3 2,-0.3 -0.819 42.4-151.0-127.0 166.1 58.9 60.1 20.5 58 60 A V E -FG 51 148B 0 90,-2.6 90,-2.3 -2,-0.3 2,-0.5 -0.957 12.8-137.0-133.7 151.1 55.7 59.5 18.6 59 61 A V E +FG 50 147B 1 -9,-2.7 -9,-1.1 -2,-0.3 23,-0.3 -0.952 32.7 160.2-111.6 126.5 54.2 61.1 15.5 60 62 A L E - G 0 146B 0 86,-2.8 86,-3.0 -2,-0.5 2,-0.3 -0.792 28.3-125.4-132.3 174.8 50.5 61.9 15.6 61 63 A I E -HG 80 145B 0 19,-3.6 19,-3.0 -2,-0.3 2,-0.4 -0.872 8.1-149.7-127.2 161.4 48.3 64.2 13.6 62 64 A R E +HG 79 144B 87 82,-2.1 82,-2.3 -2,-0.3 2,-0.3 -0.993 27.5 151.1-130.6 136.3 45.9 67.0 14.3 63 65 A Q E -HG 78 143B 22 15,-1.8 15,-2.7 -2,-0.4 2,-0.3 -0.994 47.6 -89.7-161.4 160.4 42.9 68.0 12.2 64 66 A F E -H 77 0B 16 78,-0.5 2,-0.5 -2,-0.3 13,-0.2 -0.579 36.0-171.9 -75.2 130.4 39.4 69.5 12.2 65 67 A R >> - 0 0 47 11,-2.5 4,-2.0 -2,-0.3 3,-1.8 -0.891 11.1-164.4-126.9 99.8 36.7 66.8 12.7 66 68 A V H 3> S+ 0 0 7 -2,-0.5 4,-2.2 1,-0.3 5,-0.1 0.819 87.6 63.9 -50.7 -38.5 33.1 68.2 12.2 67 69 A A H 34 S+ 0 0 2 235,-0.5 -1,-0.3 1,-0.2 236,-0.1 0.772 110.4 37.3 -61.1 -26.3 31.6 65.2 13.8 68 70 A T H X4>S+ 0 0 0 -3,-1.8 5,-2.5 234,-0.3 3,-1.7 0.778 110.0 63.7 -92.0 -30.0 33.3 66.1 17.1 69 71 A W H 3<5S+ 0 0 63 -4,-2.0 3,-0.5 1,-0.3 -2,-0.2 0.863 104.3 45.6 -60.2 -39.0 32.8 69.8 16.5 70 72 A V T 3<5S+ 0 0 68 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.1 0.241 117.4 49.3 -89.2 14.1 29.0 69.4 16.6 71 73 A N T < 5S- 0 0 32 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.251 131.7 -53.1-151.0 57.5 29.3 67.3 19.7 72 74 A G T 5S+ 0 0 66 -3,-0.5 2,-1.1 1,-0.1 -3,-0.2 0.259 97.5 110.5 98.6 -14.1 31.5 68.7 22.5 73 75 A N < - 0 0 5 -5,-2.5 3,-0.2 1,-0.2 -2,-0.1 -0.785 50.0-164.6-100.6 93.1 34.8 69.6 20.7 74 76 A E S S+ 0 0 184 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.832 86.2 29.1 -41.7 -57.5 34.8 73.4 20.7 75 77 A S S S- 0 0 63 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.700 100.0-131.8 -81.7 -19.2 37.5 74.1 18.2 76 78 A G + 0 0 0 1,-0.3 -11,-2.5 -3,-0.2 -7,-0.2 0.253 61.3 137.5 86.5 -13.4 36.8 70.8 16.4 77 79 A Q E -H 64 0B 44 -13,-0.2 2,-0.4 -9,-0.1 -1,-0.3 -0.461 32.4-171.5 -70.5 133.7 40.5 70.0 16.3 78 80 A L E -H 63 0B 3 -15,-2.7 -15,-1.8 -2,-0.2 2,-0.7 -0.992 19.7-142.2-132.9 131.6 41.3 66.4 17.2 79 81 A I E +H 62 0B 16 82,-0.4 84,-0.3 -2,-0.4 2,-0.3 -0.827 40.1 159.4 -92.0 116.9 44.7 64.8 17.8 80 82 A E E -H 61 0B 0 -19,-3.0 -19,-3.6 -2,-0.7 2,-0.3 -0.816 45.3 -97.7-132.7 173.4 44.7 61.4 16.3 81 83 A S - 0 0 0 -2,-0.3 -32,-0.2 -21,-0.2 -21,-0.1 -0.723 62.3 -83.6 -89.5 139.9 47.0 58.6 15.0 82 84 A C E +D 48 0B 2 -34,-0.5 -34,-2.6 -2,-0.3 2,-0.3 -0.124 69.5 153.2 -43.4 134.0 47.5 58.7 11.2 83 85 A A E +D 47 0B 14 -36,-0.3 2,-0.3 15,-0.1 -36,-0.2 -0.988 21.2 173.4-161.4 167.1 44.6 56.9 9.5 84 86 A G E -D 46 0B 19 -38,-2.4 -38,-2.7 -2,-0.3 2,-0.2 -0.976 38.7 -87.1-172.2 162.8 42.4 56.4 6.5 85 87 A L E -D 45 0B 34 -2,-0.3 -40,-0.3 -40,-0.3 4,-0.1 -0.567 36.2-126.9 -77.8 142.2 39.6 54.4 4.8 86 88 A L > - 0 0 26 -42,-2.5 3,-1.5 -2,-0.2 -41,-0.1 0.909 29.2-171.0 -55.3 -46.4 40.8 51.4 2.8 87 89 A D T 3 S- 0 0 111 -43,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.923 76.1 -41.8 50.8 51.1 39.0 52.5 -0.4 88 90 A N T 3 S+ 0 0 165 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 0.351 115.8 114.1 82.6 -5.5 39.6 49.2 -2.2 89 91 A D S < S- 0 0 56 -3,-1.5 -1,-0.3 1,-0.1 -3,-0.0 -0.440 74.7 -99.9 -92.0 170.4 43.3 48.8 -1.0 90 92 A E > - 0 0 83 -2,-0.1 4,-2.9 1,-0.1 5,-0.3 -0.597 41.3-107.8 -83.4 151.4 44.7 46.2 1.3 91 93 A P H > S+ 0 0 25 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.913 117.6 42.8 -46.7 -53.1 45.2 47.4 4.9 92 94 A E H > S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.931 113.5 50.7 -63.5 -44.9 49.0 47.7 4.7 93 95 A V H > S+ 0 0 70 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.952 114.4 46.8 -56.5 -47.2 49.0 49.2 1.2 94 96 A C H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.935 108.6 52.6 -60.0 -49.7 46.5 51.8 2.4 95 97 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.807 107.3 53.7 -62.0 -26.9 48.3 52.6 5.7 96 98 A R H X S+ 0 0 69 -4,-1.8 4,-2.2 -3,-0.3 -1,-0.2 0.915 109.5 46.2 -73.1 -43.3 51.6 53.3 3.8 97 99 A K H X S+ 0 0 85 -4,-1.7 4,-3.3 -5,-0.2 5,-0.2 0.940 113.8 50.9 -63.3 -43.3 50.0 55.8 1.5 98 100 A E H X>S+ 0 0 33 -4,-2.6 4,-3.5 2,-0.2 5,-0.6 0.925 108.4 50.3 -59.4 -47.3 48.2 57.4 4.5 99 101 A A H X>S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-1.4 0.954 115.9 42.9 -55.7 -51.0 51.5 57.7 6.4 100 102 A I H X5S+ 0 0 77 -4,-2.2 4,-0.8 4,-0.2 -2,-0.2 0.949 119.2 43.2 -59.1 -52.3 53.2 59.4 3.5 101 103 A E H <5S+ 0 0 137 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.871 126.0 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