==== 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 1VIQ . COMPND 2 MOLECULE: ADP-RIBOSE PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR STRUCTURAL GENOMIX . 599 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 153 25.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 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 . 3 0.5 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 . 58 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 1 1 0 2 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 0 0 0 0 3 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 . 3 5 0 5 2 5 4 0 2 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 1 0 0 3 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 0 160 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.8 -32.8 18.1 133.4 2 1 A L - 0 0 178 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.933 360.0-140.8-115.8 108.9 -33.9 19.2 136.9 3 2 A K - 0 0 87 -2,-0.6 2,-0.1 1,-0.1 0, 0.0 -0.077 30.5-100.9 -54.3 162.3 -35.0 22.9 137.2 4 3 A P - 0 0 121 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.405 36.6 -90.7 -89.4 171.3 -33.9 24.7 140.4 5 4 A D - 0 0 134 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.218 33.9-109.9 -71.6 163.7 -35.8 25.5 143.6 6 5 A N S S+ 0 0 133 2,-0.1 3,-0.4 4,-0.0 -1,-0.1 0.656 76.1 139.0 -59.5 -22.6 -37.9 28.7 144.2 7 6 A L + 0 0 100 1,-0.2 -2,-0.1 3,-0.0 3,-0.1 -0.344 36.6 19.8 -89.3 164.9 -35.3 29.9 146.8 8 7 A P S S+ 0 0 120 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.977 107.1 67.0 -99.9 9.4 -33.6 31.9 148.1 9 8 A V + 0 0 113 -3,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.764 49.3 160.4 -82.3 122.8 -35.6 35.0 146.9 10 9 A T + 0 0 103 -2,-0.5 2,-0.2 2,-0.1 -1,-0.1 0.627 42.3 96.4-114.7 -25.4 -39.1 35.0 148.5 11 10 A F + 0 0 76 2,-0.1 2,-0.2 4,-0.1 30,-0.0 -0.546 54.3 167.4 -65.2 135.2 -40.3 38.6 148.1 12 11 A G > - 0 0 41 -2,-0.2 3,-2.3 4,-0.0 4,-0.1 -0.599 54.2 -62.8-132.6-165.8 -42.5 38.8 145.0 13 12 A K G > S+ 0 0 197 1,-0.3 3,-1.1 -2,-0.2 -2,-0.1 0.698 125.1 67.4 -62.6 -20.9 -44.9 41.2 143.3 14 13 A N G 3 S+ 0 0 167 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.468 96.6 57.9 -74.3 -3.8 -47.3 40.9 146.3 15 14 A D G < S+ 0 0 45 -3,-2.3 24,-2.3 24,-0.1 2,-0.4 0.345 99.8 66.2-107.7 3.8 -44.6 42.7 148.3 16 15 A V E < -A 38 0A 61 -3,-1.1 2,-0.5 22,-0.2 22,-0.2 -0.973 55.8-166.3-126.3 142.1 -44.4 45.8 146.0 17 16 A E E -A 37 0A 103 20,-2.8 20,-2.7 -2,-0.4 2,-0.7 -0.981 14.3-150.3-123.3 112.5 -46.9 48.5 145.4 18 17 A I E -A 36 0A 76 -2,-0.5 18,-0.3 18,-0.2 3,-0.1 -0.792 9.1-166.2 -75.1 117.5 -46.0 50.7 142.4 19 18 A I E - 0 0 47 16,-2.9 2,-0.3 -2,-0.7 17,-0.2 0.870 60.8 -42.3 -73.5 -37.5 -47.6 53.9 143.4 20 19 A A E -A 35 0A 28 15,-1.9 15,-4.0 -3,-0.1 2,-0.6 -0.909 42.9-121.1 175.5 153.5 -47.3 55.4 139.9 21 20 A R E -A 34 0A 140 -2,-0.3 2,-0.7 13,-0.2 13,-0.2 -0.962 29.1-158.0-112.7 114.3 -45.1 55.7 136.8 22 21 A E E -A 33 0A 81 11,-3.1 11,-3.3 -2,-0.6 2,-0.4 -0.842 15.7-131.3 -99.6 107.1 -44.5 59.4 136.1 23 22 A T E +A 32 0A 93 -2,-0.7 9,-0.3 9,-0.3 3,-0.1 -0.424 29.8 173.1 -57.5 114.0 -43.5 60.1 132.5 24 23 A L E + 0 0 82 7,-2.5 2,-0.3 -2,-0.4 8,-0.2 0.597 68.0 10.5 -96.1 -20.3 -40.5 62.4 132.6 25 24 A Y E -A 31 0A 135 6,-1.6 6,-0.8 2,-0.0 2,-0.3 -0.963 54.0-168.7-162.1 142.2 -39.8 62.3 128.9 26 25 A R E +A 30 0A 82 -2,-0.3 4,-0.2 4,-0.2 2,-0.1 -0.840 41.3 110.0-141.7 98.2 -41.5 61.1 125.7 27 26 A G S S- 0 0 42 2,-1.9 -2,-0.0 -2,-0.3 3,-0.0 -0.197 94.4 -28.2-125.8-129.9 -39.5 61.0 122.5 28 27 A F S S+ 0 0 206 -2,-0.1 2,-0.2 2,-0.0 -2,-0.0 0.855 138.2 1.6 -58.0 -35.5 -38.3 58.0 120.5 29 28 A S S S- 0 0 20 27,-0.0 -2,-1.9 28,-0.0 2,-0.4 -0.819 88.4-100.8-142.5 179.1 -38.3 56.2 123.9 30 29 A S E -AB 26 55A 40 25,-3.1 25,-4.1 -2,-0.2 2,-0.5 -0.877 9.5-157.7-124.1 143.6 -39.2 57.1 127.5 31 30 A L E -AB 25 54A 54 -6,-0.8 -7,-2.5 -2,-0.4 -6,-1.6 -0.962 30.6-179.2 -98.2 124.3 -37.8 58.1 130.9 32 31 A D E -AB 23 53A 27 21,-1.9 21,-3.0 -2,-0.5 2,-0.9 -0.986 26.8-133.3-127.1 139.8 -40.4 57.3 133.5 33 32 A L E -AB 22 52A 37 -11,-3.3 -11,-3.1 -2,-0.4 2,-0.6 -0.831 19.1-151.1 -92.0 104.1 -40.3 57.8 137.2 34 33 A Y E -AB 21 51A 39 17,-3.0 17,-2.3 -2,-0.9 2,-0.5 -0.680 9.8-163.1 -71.4 118.5 -41.4 54.6 139.0 35 34 A R E +AB 20 50A 60 -15,-4.0 -16,-2.9 -2,-0.6 -15,-1.9 -0.949 27.2 152.2-103.6 122.5 -42.9 55.7 142.3 36 35 A F E -AB 18 49A 38 13,-2.5 13,-3.3 -2,-0.5 2,-0.4 -0.980 41.1-147.7-151.9 155.0 -43.1 52.7 144.7 37 36 A R E -A 17 0A 88 -20,-2.7 -20,-2.8 -2,-0.3 2,-0.3 -0.975 26.4-177.2-120.8 143.7 -43.2 51.2 148.2 38 37 A H E -A 16 0A 64 -2,-0.4 8,-1.1 9,-0.4 -22,-0.2 -0.986 32.1 -99.4-139.8 151.9 -41.7 47.7 148.9 39 38 A R B -D 45 0B 90 -24,-2.3 2,-0.3 -2,-0.3 6,-0.2 -0.355 39.9-139.9 -58.4 146.8 -41.3 45.3 151.8 40 39 A L > - 0 0 54 4,-2.3 3,-2.5 1,-0.0 -1,-0.0 -0.814 22.3-108.2-109.8 159.3 -37.9 45.4 153.5 41 40 A F T 3 S+ 0 0 199 1,-0.3 -2,-0.0 -2,-0.3 -1,-0.0 0.703 118.5 58.3 -57.2 -27.4 -35.9 42.4 154.7 42 41 A N T 3 S- 0 0 117 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.283 122.5-106.2 -89.5 9.9 -36.5 43.3 158.4 43 42 A G S < S+ 0 0 35 -3,-2.5 -2,-0.1 1,-0.3 2,-0.1 0.152 81.5 122.1 91.2 -17.5 -40.2 43.1 157.7 44 43 A Q - 0 0 134 -5,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.415 65.4-109.1 -74.6 152.5 -41.0 46.8 157.7 45 44 A M B -D 39 0B 80 -6,-0.2 -6,-0.2 -2,-0.1 2,-0.1 -0.451 35.7-117.2 -73.7 154.3 -42.5 48.7 154.8 46 45 A S - 0 0 18 -8,-1.1 -1,-0.1 -2,-0.1 3,-0.1 -0.455 20.6-108.5 -85.5 162.2 -40.3 51.2 152.9 47 46 A H - 0 0 172 1,-0.2 -9,-0.4 -2,-0.1 2,-0.2 -0.292 63.7 -69.3 -65.6 171.6 -40.6 54.9 152.4 48 47 A E - 0 0 94 -11,-0.1 2,-0.4 -2,-0.1 -11,-0.2 -0.521 56.4-149.8 -68.4 133.9 -41.8 55.9 149.0 49 48 A V E -B 36 0A 27 -13,-3.3 -13,-2.5 -2,-0.2 2,-0.5 -0.923 7.1-158.3-112.0 134.2 -39.0 55.2 146.4 50 49 A R E +B 35 0A 49 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.955 13.5 178.4-114.4 122.1 -38.5 57.2 143.3 51 50 A R E -B 34 0A 136 -17,-2.3 -17,-3.0 -2,-0.5 2,-0.6 -0.989 24.0-141.9-129.9 123.1 -36.6 55.6 140.4 52 51 A E E -B 33 0A 130 -2,-0.4 2,-0.5 -19,-0.2 -19,-0.2 -0.742 28.8-173.7 -80.5 116.6 -35.8 57.1 137.0 53 52 A I E -B 32 0A 16 -21,-3.0 -21,-1.9 -2,-0.6 2,-0.4 -0.952 22.2-139.2-127.8 114.3 -36.1 54.3 134.4 54 53 A F E -Bc 31 137A 82 82,-1.7 84,-1.3 -2,-0.5 2,-0.5 -0.563 24.3-164.9 -69.1 124.0 -35.3 54.4 130.7 55 54 A E E +B 30 0A 45 -25,-4.1 -25,-3.1 -2,-0.4 3,-0.1 -0.962 30.6 137.9-122.8 124.0 -38.0 52.5 128.9 56 55 A R - 0 0 110 -2,-0.5 -1,-0.1 1,-0.4 -2,-0.0 0.006 61.0 -93.5-163.4 38.0 -37.5 51.5 125.2 57 56 A G - 0 0 17 41,-0.1 -1,-0.4 2,-0.0 2,-0.3 -0.089 49.4 -78.4 73.1-171.7 -38.7 48.0 124.5 58 57 A H - 0 0 72 41,-0.5 41,-3.5 81,-0.2 2,-0.3 -0.835 37.4-125.5-133.5 163.6 -36.8 44.8 124.6 59 58 A A E -Ef 98 141C 13 81,-2.4 83,-2.3 -2,-0.3 2,-0.4 -0.805 3.2-148.5-120.7 149.8 -34.3 43.1 122.3 60 59 A A E -Ef 97 142C 0 37,-2.8 37,-1.9 -2,-0.3 2,-0.4 -0.893 22.6-159.3-104.3 149.5 -33.7 39.8 120.5 61 60 A V E -Ef 96 143C 3 81,-2.4 83,-2.6 -2,-0.4 2,-0.5 -0.991 4.4-159.4-137.0 121.0 -30.1 38.8 119.9 62 61 A L E -Ef 95 144C 0 33,-3.1 33,-1.3 -2,-0.4 83,-0.2 -0.891 6.6-159.5-103.2 129.6 -28.7 36.4 117.4 63 62 A L E - f 0 145C 0 81,-2.5 83,-2.4 -2,-0.5 2,-0.7 -0.908 18.3-149.6 -99.1 102.9 -25.3 34.7 117.7 64 63 A P E + f 0 146C 0 0, 0.0 9,-1.8 0, 0.0 2,-0.4 -0.697 25.2 174.5 -76.5 112.5 -24.6 33.6 114.1 65 64 A F E -Gf 72 147C 0 81,-2.5 83,-1.9 -2,-0.7 7,-0.2 -0.984 26.7-154.0-130.9 129.5 -22.4 30.5 114.5 66 65 A D E >> -G 71 0C 6 5,-2.7 4,-1.5 -2,-0.4 5,-1.5 -0.911 7.6-169.2-104.4 103.2 -21.2 28.2 111.7 67 66 A P T 45S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 0.678 83.9 52.5 -67.6 -23.2 -20.7 24.7 113.3 68 67 A V T 45S+ 0 0 106 1,-0.1 81,-0.1 3,-0.1 -2,-0.0 0.932 121.9 28.7 -76.8 -51.9 -18.8 23.3 110.3 69 68 A R T 45S- 0 0 133 2,-0.1 -1,-0.1 100,-0.0 3,-0.1 0.553 100.9-129.7 -86.9 -8.6 -16.3 26.1 110.0 70 69 A D T <5 + 0 0 31 -4,-1.5 100,-2.3 1,-0.2 101,-0.3 0.905 62.3 137.8 54.0 48.2 -16.3 26.9 113.7 71 70 A E E < -GH 66 169C 30 -5,-1.5 -5,-2.7 98,-0.3 2,-0.4 -0.787 45.6-146.9-121.7 161.7 -16.8 30.6 112.9 72 71 A V E -GH 65 168C 0 96,-3.4 96,-1.9 -2,-0.3 2,-0.6 -0.941 13.1-136.9-123.4 146.6 -18.8 33.5 114.1 73 72 A V E - H 0 167C 0 -9,-1.8 2,-0.3 -2,-0.4 22,-0.3 -0.935 25.0-171.7-100.2 119.8 -20.3 36.4 112.1 74 73 A L E - H 0 166C 0 92,-2.6 92,-2.6 -2,-0.6 2,-0.3 -0.713 9.3-145.6-103.3 158.7 -19.9 39.8 113.8 75 74 A I E -IH 93 165C 0 18,-1.9 18,-2.9 -2,-0.3 2,-0.4 -0.893 3.6-150.7-120.6 157.1 -21.4 43.0 112.8 76 75 A E E +IH 92 164C 37 88,-2.7 88,-2.3 -2,-0.3 2,-0.3 -0.991 28.4 143.2-130.2 129.3 -20.0 46.5 113.0 77 76 A Q E -I 91 0C 22 14,-1.1 14,-2.3 -2,-0.4 2,-0.3 -0.954 51.1 -91.1-154.5 160.0 -22.0 49.7 113.4 78 77 A I E -I 90 0C 74 84,-0.4 2,-0.5 -2,-0.3 12,-0.3 -0.569 27.7-169.3 -78.5 135.1 -21.5 53.0 115.3 79 78 A R > - 0 0 101 10,-3.5 3,-1.9 -2,-0.3 4,-0.2 -0.940 3.7-167.4-119.4 104.3 -22.8 53.3 118.9 80 79 A I G > S+ 0 0 124 -2,-0.5 3,-1.7 1,-0.3 4,-0.3 0.795 84.0 66.9 -66.0 -26.8 -22.5 57.0 119.7 81 80 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.637 94.0 59.7 -67.1 -15.9 -23.2 56.2 123.4 82 81 A A G X> S+ 0 0 14 -3,-1.9 3,-1.1 7,-0.2 4,-0.9 0.520 80.7 93.3 -85.8 -7.5 -19.9 54.3 123.5 83 82 A Y G X4 S+ 0 0 147 -3,-1.7 3,-0.8 1,-0.3 -1,-0.2 0.881 78.8 51.7 -57.3 -52.0 -17.9 57.5 122.5 84 83 A D G 34 S+ 0 0 147 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.597 120.5 31.0 -65.7 -17.3 -17.0 58.8 125.9 85 84 A T G <4 S+ 0 0 131 -3,-1.1 2,-0.3 -4,-0.1 -1,-0.2 0.367 111.5 66.8-121.6 2.4 -15.5 55.5 127.2 86 85 A S S << S- 0 0 35 -4,-0.9 -1,-0.0 -3,-0.8 0, 0.0 -0.935 73.0-130.7-131.8 149.4 -14.1 53.9 124.2 87 86 A E S S+ 0 0 198 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.887 103.4 20.3 -58.5 -43.9 -11.3 54.6 121.7 88 87 A T - 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0 0 55 -3,-2.2 2,-0.2 4,-0.1 -4,-0.0 -0.459 40.7-150.4 -71.2 134.1 -43.2 39.0 117.3 104 103 A S > - 0 0 53 -2,-0.2 4,-1.6 1,-0.1 -4,-0.1 -0.465 35.2-105.5 -85.3 170.1 -41.5 36.2 119.2 105 104 A V H > S+ 0 0 41 2,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.870 123.0 56.8 -67.6 -30.8 -37.8 36.5 119.8 106 105 A E H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.966 104.5 53.1 -60.9 -47.1 -37.3 33.8 117.0 107 106 A D H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 114.9 40.0 -49.5 -50.0 -39.1 36.1 114.6 108 107 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.880 112.0 55.0 -76.9 -35.3 -36.9 39.1 115.4 109 108 A A H X S+ 0 0 1 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.913 116.0 39.5 -58.4 -45.8 -33.6 37.1 115.6 110 109 A R H X S+ 0 0 39 -4,-2.4 4,-0.8 -5,-0.2 3,-0.2 0.879 114.0 52.5 -72.9 -45.1 -34.2 35.7 112.1 111 110 A R H >X S+ 0 0 46 -4,-2.3 4,-1.9 -5,-0.3 3,-1.3 0.964 111.4 47.2 -56.6 -52.7 -35.6 38.9 110.7 112 111 A E H 3X S+ 0 0 16 -4,-2.6 4,-2.2 1,-0.3 5,-0.3 0.661 101.0 64.3 -64.2 -25.7 -32.5 41.0 111.9 113 112 A A H 3< S+ 0 0 0 -4,-0.9 6,-3.9 -3,-0.2 4,-0.4 0.696 110.1 40.7 -72.7 -21.2 -30.0 38.5 110.6 114 113 A I H > - 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