==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-DEC-01 1KHZ . COMPND 2 MOLECULE: ADP-RIBOSE PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.B.GABELLI,M.A.BIANCHET,M.J.BESSMAN,L.M.AMZEL . 407 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 25.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 41 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 0 0 0 0 1 1 0 0 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 PARALLEL BRIDGES PER LADDER . 2 3 0 4 0 3 3 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 . 0 0 2 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 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 0 239 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.1 18.6 -3.5 10.1 2 2 A L - 0 0 162 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.457 360.0-120.5 -78.6 149.2 21.1 -1.6 12.1 3 3 A K - 0 0 190 -2,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.511 41.9 -95.0 -81.4 157.0 20.2 1.5 14.1 4 4 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.364 44.5 -95.8 -73.0 157.9 22.1 4.7 13.1 5 5 A D - 0 0 138 1,-0.1 2,-0.3 -3,-0.1 -3,-0.0 -0.318 39.6-109.5 -69.3 155.1 25.2 5.8 14.9 6 6 A N - 0 0 160 2,-0.0 -1,-0.1 -2,-0.0 3,-0.0 -0.695 35.0-164.6 -86.6 137.7 24.9 8.4 17.7 7 7 A L - 0 0 64 -2,-0.3 5,-0.1 2,-0.2 377,-0.0 -0.936 25.0-146.4-124.2 146.8 26.4 11.8 17.0 8 8 A P S S+ 0 0 33 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.616 86.6 57.4 -84.2 -10.9 27.2 14.6 19.4 9 9 A V S S- 0 0 13 2,-0.1 -2,-0.2 281,-0.1 283,-0.1 -0.589 92.9-105.9-112.3 176.7 26.3 17.2 16.7 10 10 A T S S+ 0 0 49 -2,-0.2 2,-0.3 357,-0.1 -3,-0.1 0.902 94.9 38.0 -71.2 -46.4 23.1 17.8 14.6 11 11 A F - 0 0 26 28,-0.1 279,-0.4 2,-0.0 2,-0.2 -0.814 67.2-149.7-114.4 152.3 24.1 16.5 11.2 12 12 A G > - 0 0 10 -2,-0.3 3,-2.3 276,-0.1 276,-0.2 -0.455 43.4 -81.8-106.9-177.3 26.0 13.5 10.1 13 13 A K G > S+ 0 0 65 274,-0.6 3,-0.9 1,-0.3 275,-0.1 0.775 125.1 61.3 -55.0 -29.5 28.2 12.7 7.1 14 14 A N G 3 S+ 0 0 161 1,-0.2 -1,-0.3 3,-0.1 274,-0.0 0.501 89.0 71.3 -77.5 -5.6 25.1 11.9 5.0 15 15 A D G < S+ 0 0 56 -3,-2.3 24,-2.0 24,-0.1 2,-0.3 0.277 92.5 62.8 -95.8 11.6 23.7 15.5 5.4 16 16 A V E < -A 38 0A 16 -3,-0.9 2,-0.5 22,-0.2 22,-0.3 -0.982 65.6-152.6-133.8 145.6 26.2 17.0 3.1 17 17 A E E -A 37 0A 123 20,-3.4 20,-2.1 -2,-0.3 2,-1.1 -0.973 8.6-149.6-120.9 115.8 26.9 16.5 -0.6 18 18 A I E -A 36 0A 40 -2,-0.5 18,-0.3 18,-0.2 3,-0.1 -0.753 17.0-176.2 -82.1 103.6 30.4 17.2 -1.9 19 19 A I E - 0 0 64 16,-1.5 2,-0.3 -2,-1.1 17,-0.2 0.977 59.5 -16.8 -67.2 -55.3 29.6 18.3 -5.5 20 20 A A E -A 35 0A 38 15,-1.7 15,-3.1 -3,-0.2 2,-0.4 -0.991 47.3-150.1-152.4 158.2 33.1 18.6 -6.7 21 21 A R E -A 34 0A 96 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.999 20.8-177.6-129.0 128.8 36.8 18.9 -5.7 22 22 A E E -A 33 0A 73 11,-2.2 11,-2.5 -2,-0.4 2,-0.6 -0.984 28.9-120.9-129.5 140.4 39.2 20.8 -7.9 23 23 A T E -A 32 0A 80 -2,-0.4 9,-0.3 9,-0.2 3,-0.2 -0.717 24.0-177.3 -81.7 119.4 42.9 21.3 -7.4 24 24 A L E S+ 0 0 45 7,-2.6 2,-0.3 -2,-0.6 8,-0.2 0.776 77.8 0.4 -83.5 -30.2 43.6 25.1 -7.2 25 25 A Y E -A 31 0A 65 6,-1.7 6,-2.6 -3,-0.1 2,-0.6 -0.921 67.5-152.7-159.1 128.8 47.3 24.5 -6.9 26 26 A R + 0 0 176 -2,-0.3 2,-0.2 4,-0.2 4,-0.2 -0.930 38.8 124.8-112.8 120.3 49.3 21.2 -6.9 27 27 A G S S- 0 0 17 -2,-0.6 3,-0.1 2,-0.2 -2,-0.0 -0.566 84.8 -48.3-143.4-153.5 52.6 21.1 -5.1 28 28 A F S S+ 0 0 165 -2,-0.2 2,-0.4 1,-0.2 -2,-0.0 0.943 142.1 24.6 -53.6 -45.2 54.1 18.9 -2.4 29 29 A F S S- 0 0 24 28,-0.0 2,-0.3 -3,-0.0 -2,-0.2 -0.960 94.2-133.1-116.5 135.5 50.7 19.6 -0.7 30 30 A S E - B 0 55A 27 25,-0.6 25,-2.4 -2,-0.4 2,-0.6 -0.652 2.0-144.1 -92.1 146.7 47.8 20.6 -2.8 31 31 A L E -AB 25 54A 0 -6,-2.6 -7,-2.6 -2,-0.3 -6,-1.7 -0.952 31.4-172.3-105.9 118.0 45.4 23.5 -2.2 32 32 A D E -AB 23 53A 18 21,-3.7 21,-3.3 -2,-0.6 2,-0.5 -0.635 23.5-137.6-110.5 168.5 41.9 22.3 -3.3 33 33 A L E -AB 22 52A 17 -11,-2.5 -11,-2.2 19,-0.3 2,-0.4 -0.993 18.0-157.1-125.4 120.4 38.5 23.9 -3.7 34 34 A Y E -AB 21 51A 0 17,-2.7 17,-1.7 -2,-0.5 2,-0.5 -0.847 2.0-161.5 -98.9 136.5 35.6 21.9 -2.4 35 35 A R E +AB 20 50A 59 -15,-3.1 -15,-1.7 -2,-0.4 -16,-1.5 -0.983 30.7 149.3-115.5 123.3 32.1 22.6 -3.9 36 36 A F E -AB 18 49A 4 13,-2.2 13,-3.2 -2,-0.5 2,-0.3 -0.966 38.0-145.6-152.3 166.0 29.3 21.3 -1.6 37 37 A R E +A 17 0A 96 -20,-2.1 -20,-3.4 -2,-0.3 2,-0.3 -0.981 24.2 176.4-132.7 143.6 25.8 21.7 -0.3 38 38 A H E -A 16 0A 18 -2,-0.3 8,-2.0 9,-0.3 -22,-0.2 -0.952 35.8 -90.0-146.3 162.6 24.6 20.8 3.2 39 39 A R B -D 45 0B 91 -24,-2.0 6,-0.2 -2,-0.3 2,-0.2 -0.494 40.7-137.6 -72.9 143.3 21.6 20.9 5.4 40 40 A L > - 0 0 32 4,-3.2 3,-1.9 -2,-0.2 -1,-0.0 -0.600 24.1-108.8 -96.2 162.6 21.1 24.1 7.4 41 41 A F T 3 S+ 0 0 27 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.769 118.3 62.4 -63.9 -23.2 20.1 24.2 11.0 42 42 A N T 3 S- 0 0 102 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.335 122.4-104.4 -84.5 8.9 16.7 25.6 10.0 43 43 A G S < S+ 0 0 43 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.206 83.6 117.1 92.8 -16.1 16.0 22.4 7.9 44 44 A Q - 0 0 122 -5,-0.1 -4,-3.2 1,-0.1 -1,-0.3 -0.432 67.5-108.2 -88.2 160.5 16.7 23.9 4.5 45 45 A M B -D 39 0B 101 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.1 -0.615 35.4-126.0 -85.0 144.1 19.3 23.0 1.9 46 46 A S - 0 0 16 -8,-2.0 2,-0.1 -2,-0.3 -1,-0.1 -0.240 20.8-105.2 -82.9 173.1 22.2 25.5 1.4 47 47 A H - 0 0 162 1,-0.2 -9,-0.3 -10,-0.1 2,-0.3 -0.301 63.2 -68.3 -82.0-178.5 23.3 27.1 -1.8 48 48 A E - 0 0 48 -11,-0.1 2,-0.4 -2,-0.1 -11,-0.2 -0.587 58.9-156.9 -73.1 130.8 26.6 25.7 -3.3 49 49 A V E -B 36 0A 22 -13,-3.2 -13,-2.2 -2,-0.3 2,-0.4 -0.888 2.9-152.1-113.0 146.0 29.4 26.7 -0.9 50 50 A R E +B 35 0A 132 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.971 15.1 176.1-120.8 132.4 33.0 26.9 -1.9 51 51 A R E -B 34 0A 103 -17,-1.7 -17,-2.7 -2,-0.4 2,-0.6 -0.994 27.2-133.1-136.6 139.4 36.0 26.4 0.4 52 52 A E E -B 33 0A 28 -2,-0.4 2,-0.4 -19,-0.2 -19,-0.3 -0.832 30.1-166.6 -90.8 123.9 39.7 26.4 -0.2 53 53 A I E -B 32 0A 2 -21,-3.3 -21,-3.7 -2,-0.6 2,-0.9 -0.955 19.7-145.0-120.2 130.3 41.3 23.4 1.5 54 54 A F E -Bc 31 137A 2 82,-2.8 84,-2.1 -2,-0.4 2,-1.6 -0.801 17.9-149.3 -90.0 106.2 44.9 22.7 2.2 55 55 A E E +B 30 0A 40 -25,-2.4 -25,-0.6 -2,-0.9 82,-0.1 -0.607 34.5 156.4 -79.6 87.7 45.3 18.9 1.9 56 56 A R - 0 0 35 -2,-1.6 2,-0.5 1,-0.2 -1,-0.2 0.791 36.3-141.2 -87.0 -30.8 48.1 18.3 4.3 57 57 A G - 0 0 32 -3,-0.2 83,-0.6 41,-0.1 2,-0.3 -0.906 28.0 -43.9 124.2-135.9 47.6 14.7 5.3 58 58 A H E -e 140 0C 68 -2,-0.5 41,-2.9 41,-0.2 2,-0.3 -0.961 47.4-165.3-153.6 127.8 47.8 12.5 8.4 59 59 A A E -eF 141 98C 16 81,-2.7 83,-2.3 -2,-0.3 2,-0.4 -0.852 15.7-139.9-121.9 157.1 50.5 12.5 11.0 60 60 A A E -eF 142 97C 0 37,-3.2 37,-2.2 -2,-0.3 2,-0.4 -0.948 21.3-169.0-112.4 132.2 51.7 10.3 13.9 61 61 A V E -eF 143 96C 4 81,-3.0 83,-2.1 -2,-0.4 2,-0.5 -0.989 1.4-165.7-125.9 132.7 52.8 12.1 17.1 62 62 A L E -eF 144 95C 1 33,-3.3 33,-1.8 -2,-0.4 83,-0.2 -0.968 12.2-156.6-125.6 125.9 54.5 10.4 20.0 63 63 A L E -e 145 0C 0 81,-2.9 83,-3.3 -2,-0.5 2,-0.7 -0.867 20.3-144.9 -96.3 108.6 55.0 11.7 23.5 64 64 A P E -e 146 0C 0 0, 0.0 9,-1.5 0, 0.0 2,-0.4 -0.681 26.1-179.2 -76.3 114.2 58.1 9.8 24.9 65 65 A F E -eG 147 72C 0 81,-3.3 83,-1.9 -2,-0.7 7,-0.2 -0.969 25.1-161.3-123.7 129.6 57.4 9.3 28.6 66 66 A D E >> - G 0 71C 5 5,-3.0 5,-1.7 -2,-0.4 4,-1.1 -0.894 10.2-172.9-104.9 100.3 59.6 7.7 31.2 67 67 A P T 45S+ 0 0 7 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 0.773 80.1 55.4 -65.6 -28.3 57.1 6.8 34.1 68 68 A V T 45S+ 0 0 118 1,-0.2 81,-0.1 137,-0.1 -2,-0.0 0.897 120.8 27.4 -74.4 -40.4 59.8 5.7 36.5 69 69 A R T 45S- 0 0 117 2,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.459 103.6-127.8 -99.0 -0.8 61.8 8.9 36.3 70 70 A D T <5 + 0 0 53 -4,-1.1 100,-2.5 1,-0.2 101,-0.4 0.936 61.9 137.3 52.4 52.8 58.8 11.1 35.5 71 71 A E E < -GH 66 169C 34 -5,-1.7 -5,-3.0 98,-0.3 2,-0.3 -0.867 44.3-149.2-127.2 161.3 60.5 12.6 32.5 72 72 A V E -GH 65 168C 0 96,-3.2 96,-2.6 -2,-0.3 2,-0.6 -0.922 13.3-137.8-126.6 148.3 59.7 13.4 28.9 73 73 A V E - H 0 167C 1 -9,-1.5 2,-0.3 -2,-0.3 94,-0.2 -0.956 25.6-173.8-110.5 117.1 62.0 13.5 25.9 74 74 A L E - H 0 166C 0 92,-3.4 92,-3.1 -2,-0.6 2,-0.4 -0.807 14.2-140.5-110.0 152.3 61.5 16.5 23.6 75 75 A I E -IH 93 165C 1 18,-2.5 18,-3.8 -2,-0.3 2,-0.5 -0.932 7.3-146.5-115.5 139.2 63.1 17.2 20.2 76 76 A E E +IH 92 164C 0 88,-3.4 88,-2.2 -2,-0.4 2,-0.3 -0.899 34.1 146.8-103.7 126.3 64.3 20.6 19.1 77 77 A Q E -I 91 0C 20 14,-2.1 14,-2.2 -2,-0.5 2,-0.2 -0.992 48.2 -96.6-156.5 154.4 64.0 21.4 15.4 78 78 A I E -I 90 0C 19 84,-0.5 2,-0.4 -2,-0.3 12,-0.2 -0.518 26.1-175.4 -77.7 137.4 63.3 24.3 13.1 79 79 A R > - 0 0 65 10,-2.5 3,-2.4 -2,-0.2 4,-0.2 -0.849 10.2-164.3-129.8 89.5 59.7 24.9 11.8 80 80 A I G > S+ 0 0 6 -2,-0.4 3,-2.0 1,-0.3 4,-0.3 0.738 81.6 67.8 -49.6 -33.1 60.2 27.8 9.5 81 81 A A G 3 S+ 0 0 0 253,-0.9 3,-0.4 1,-0.3 -1,-0.3 0.728 93.3 62.2 -63.1 -19.9 56.5 28.7 9.3 82 82 A A G X S+ 0 0 0 -3,-2.4 3,-0.8 252,-0.4 4,-0.4 0.538 78.9 93.5 -81.2 -6.5 56.8 29.7 13.0 83 83 A Y G X S+ 0 0 52 -3,-2.0 3,-0.7 -4,-0.2 -1,-0.2 0.873 80.0 49.8 -55.2 -45.7 59.3 32.4 12.0 84 84 A D G 3 S+ 0 0 77 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.1 0.689 121.0 31.0 -73.8 -16.8 56.8 35.4 11.6 85 85 A T G < S+ 0 0 36 -3,-0.8 2,-0.3 -4,-0.2 -1,-0.2 0.125 111.4 64.4-127.8 23.5 55.0 35.0 14.9 86 86 A S S < S- 0 0 23 -3,-0.7 0, 0.0 -4,-0.4 0, 0.0 -0.935 77.4-121.5-140.7 162.0 57.6 33.5 17.3 87 87 A E S S+ 0 0 166 -2,-0.3 126,-0.6 1,-0.3 -4,-0.1 0.727 102.3 11.2 -77.3 -19.7 60.9 34.7 18.8 88 88 A T - 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