==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-OCT-08 3EXQ . COMPND 2 MOLECULE: NUDIX FAMILY HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS BREVIS ATCC 367; . AUTHOR K.PALANI,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 0 0 0 0 1 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 2 0 1 0 0 0 1 0 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 . 1 0 1 0 1 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 3 A L 0 0 164 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.0 33.6 -10.4 6.5 2 4 A T + 0 0 138 1,-0.1 2,-0.3 3,-0.0 3,-0.0 0.739 360.0 21.4 43.6 35.0 37.0 -11.4 7.7 3 5 A R S S- 0 0 193 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.864 116.3 -9.2 169.2-155.1 38.3 -8.0 6.7 4 6 A T + 0 0 106 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.119 45.4 172.8 -73.9 156.9 36.3 -4.8 6.1 5 7 A Q - 0 0 90 -3,-0.0 2,-0.4 2,-0.0 79,-0.1 -0.957 47.2 -81.8-145.2 156.6 32.6 -3.8 6.0 6 8 A P + 0 0 81 0, 0.0 79,-1.0 0, 0.0 2,-0.4 -0.501 53.3 169.8 -69.1 119.6 30.9 -0.4 5.8 7 9 A V E -a 85 0A 55 -2,-0.4 2,-1.0 77,-0.2 79,-0.2 -0.992 30.4-146.1-133.9 127.9 30.6 1.2 9.2 8 10 A E E -a 86 0A 67 77,-3.0 79,-2.7 -2,-0.4 2,-0.5 -0.818 25.9-155.3 -92.6 105.9 29.5 4.8 10.1 9 11 A L E +a 87 0A 56 -2,-1.0 35,-2.2 35,-0.3 2,-0.3 -0.728 20.5 167.3 -88.3 123.1 31.6 5.6 13.1 10 12 A V E -aB 88 43A 15 77,-2.3 79,-2.8 -2,-0.5 2,-0.3 -0.946 19.0-148.4-132.7 154.3 30.3 8.2 15.5 11 13 A T E -a 89 0A 7 31,-2.6 2,-0.3 -2,-0.3 31,-0.3 -0.810 8.5-172.5-118.6 161.7 31.3 9.3 19.0 12 14 A X E -a 90 0A 31 77,-1.7 79,-2.8 -2,-0.3 2,-0.4 -0.953 8.9-163.6-153.3 132.9 29.3 10.7 21.9 13 15 A V E -a 91 0A 0 27,-2.4 2,-0.7 -2,-0.3 79,-0.2 -0.980 14.6-157.4-130.3 133.3 30.7 12.0 25.2 14 16 A X E -a 92 0A 10 77,-2.4 79,-1.7 -2,-0.4 2,-0.5 -0.908 19.5-163.9-104.8 107.4 29.2 12.7 28.6 15 17 A V E -a 93 0A 0 -2,-0.7 9,-2.3 9,-0.5 2,-0.4 -0.818 1.8-159.2 -95.6 128.6 31.5 15.2 30.3 16 18 A T B -F 23 0B 23 77,-2.6 7,-0.2 -2,-0.5 6,-0.1 -0.911 16.0-135.1-109.6 132.9 31.0 15.6 34.1 17 19 A D >> - 0 0 23 5,-2.8 4,-3.7 -2,-0.4 3,-1.3 -0.775 14.2-154.4 -84.1 110.1 32.2 18.6 36.1 18 20 A P T 34 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 77,-0.0 0.703 91.0 58.7 -61.0 -16.3 33.9 17.0 39.1 19 21 A E T 34 S+ 0 0 175 1,-0.1 -2,-0.0 3,-0.1 -3,-0.0 0.716 126.7 12.1 -85.0 -22.4 33.1 20.2 41.1 20 22 A T T <4 S- 0 0 73 -3,-1.3 3,-0.1 2,-0.2 -1,-0.1 0.517 90.0-128.5-128.6 -16.1 29.4 20.1 40.6 21 23 A Q < + 0 0 124 -4,-3.7 92,-0.4 1,-0.3 2,-0.1 0.518 63.3 137.2 74.4 6.2 28.7 16.7 39.2 22 24 A R - 0 0 112 -5,-0.4 -5,-2.8 90,-0.1 2,-0.3 -0.445 48.3-131.6 -80.0 158.4 26.7 18.3 36.4 23 25 A V E -FG 16 111B 0 88,-2.9 88,-2.5 -7,-0.2 2,-0.5 -0.840 16.5-114.2-112.9 151.7 27.1 17.0 32.9 24 26 A L E + G 0 110B 1 -9,-2.3 -9,-0.5 -2,-0.3 2,-0.3 -0.725 40.5 170.2 -88.9 122.7 27.7 19.0 29.7 25 27 A V E - G 0 109B 0 84,-2.3 84,-2.3 -2,-0.5 2,-0.4 -0.948 40.5-108.8-131.9 152.4 24.9 19.0 27.1 26 28 A E E +HG 38 108B 35 12,-3.9 12,-1.4 -2,-0.3 82,-0.3 -0.661 36.8 177.0 -76.0 130.3 24.1 20.8 23.9 27 29 A D + 0 0 61 80,-3.2 2,-0.2 -2,-0.4 10,-0.1 -0.608 20.7 153.0-138.6 70.1 21.1 23.0 24.8 28 30 A K - 0 0 70 8,-0.3 8,-0.4 -2,-0.1 79,-0.1 -0.632 47.4-105.0-106.1 161.1 20.5 25.0 21.6 29 31 A V + 0 0 135 -2,-0.2 2,-0.3 77,-0.2 -1,-0.1 -0.440 53.2 145.4 -75.9 155.8 17.5 26.7 20.0 30 32 A N - 0 0 95 -2,-0.1 5,-0.1 5,-0.0 0, 0.0 -0.967 52.1 -62.3-176.9 170.9 16.1 24.9 17.0 31 33 A V >> - 0 0 52 -2,-0.3 3,-2.3 1,-0.1 4,-1.6 -0.289 59.4-102.0 -64.1 155.8 12.9 24.1 15.1 32 34 A P T 34 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.803 120.4 56.0 -48.7 -37.1 10.3 22.2 17.2 33 35 A W T 34 S+ 0 0 197 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.425 117.0 33.3 -81.6 3.9 11.1 18.9 15.4 34 36 A K T <4 S+ 0 0 141 -3,-2.3 -1,-0.2 88,-0.0 -3,-0.1 0.495 87.5 116.0-130.7 -13.6 14.8 19.1 16.3 35 37 A A < + 0 0 57 -4,-1.6 2,-0.2 -5,-0.1 -6,-0.1 -0.294 38.9 100.1 -63.4 142.0 14.9 20.8 19.8 36 38 A G S S- 0 0 26 -8,-0.4 85,-0.3 86,-0.1 -8,-0.3 -0.618 72.3 -76.4 151.2 148.4 16.2 18.8 22.7 37 39 A H B +i 121 0C 26 83,-2.7 85,-3.5 -2,-0.2 2,-0.3 -0.348 52.7 172.2 -63.6 147.5 19.2 18.2 25.0 38 40 A S B -H 26 0B 31 -12,-1.4 -12,-3.9 83,-0.2 3,-0.1 -0.988 31.4-113.1-155.7 152.5 21.9 16.2 23.4 39 41 A F - 0 0 12 -2,-0.3 -14,-0.1 -14,-0.2 -25,-0.1 -0.661 42.3 -98.5 -90.1 144.7 25.5 15.1 24.3 40 42 A P + 0 0 2 0, 0.0 -27,-2.4 0, 0.0 2,-0.3 -0.213 64.6 124.8 -57.8 151.1 28.4 16.4 22.2 41 43 A G + 0 0 24 -29,-0.2 2,-0.3 16,-0.2 -29,-0.2 -0.886 23.8 172.1 167.9 163.5 29.7 14.0 19.5 42 44 A G - 0 0 15 -31,-0.3 -31,-2.6 -2,-0.3 2,-0.3 -0.920 40.0 -43.9-168.1-167.8 30.4 13.6 15.8 43 45 A H B -B 10 0A 103 -2,-0.3 2,-0.4 -33,-0.2 -33,-0.2 -0.592 44.9-128.5 -85.7 139.0 31.9 11.5 13.0 44 46 A V - 0 0 19 -35,-2.2 -35,-0.3 -2,-0.3 6,-0.1 -0.688 27.9-128.7 -82.9 127.3 35.2 9.8 13.2 45 47 A E > - 0 0 121 -2,-0.4 3,-1.5 4,-0.2 2,-0.1 -0.363 29.2 -94.8 -73.3 156.6 37.5 10.6 10.3 46 48 A V T 3 S+ 0 0 150 1,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.483 117.1 21.0 -66.2 142.2 39.1 7.9 8.2 47 49 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.230 104.2 112.1 81.4 -15.4 42.6 7.3 9.6 48 50 A E S < S- 0 0 35 -3,-1.5 -1,-0.2 1,-0.0 5,-0.0 -0.797 70.4-122.3 -98.5 125.7 41.5 8.9 12.9 49 51 A P > - 0 0 80 0, 0.0 4,-2.2 0, 0.0 -4,-0.2 -0.269 21.7-122.9 -61.2 149.6 41.2 6.8 16.1 50 52 A C H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.911 109.6 45.3 -62.0 -47.2 37.8 6.8 17.7 51 53 A A H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 112.9 52.6 -66.5 -35.0 38.8 8.1 21.2 52 54 A T H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 108.0 51.8 -63.8 -41.9 40.9 10.7 19.5 53 55 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.872 108.0 51.8 -62.2 -38.8 37.9 11.7 17.5 54 56 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.907 110.1 47.4 -64.3 -44.6 35.8 12.0 20.6 55 57 A I H X S+ 0 0 54 -4,-2.0 4,-2.2 2,-0.2 11,-0.3 0.902 113.3 49.5 -64.0 -41.7 38.4 14.3 22.3 56 58 A R H X S+ 0 0 55 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.927 109.2 51.2 -63.0 -48.2 38.6 16.4 19.1 57 59 A E H X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.923 110.4 48.6 -57.2 -46.4 34.8 16.8 18.9 58 60 A V H X>S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.9 0.932 114.9 46.3 -60.8 -44.3 34.5 17.9 22.5 59 61 A F H X5S+ 0 0 99 -4,-2.2 4,-1.5 3,-0.2 -2,-0.2 0.947 114.6 45.4 -62.2 -50.6 37.3 20.4 22.0 60 62 A E H <5S+ 0 0 94 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.848 122.8 35.5 -64.2 -35.4 35.9 21.8 18.7 61 63 A E H <5S+ 0 0 74 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.782 135.7 16.8 -90.9 -29.4 32.3 22.1 19.9 62 64 A T H <5S- 0 0 2 -4,-2.6 39,-2.0 -5,-0.3 -3,-0.2 0.647 87.8-126.4-117.2 -23.7 32.8 23.1 23.6 63 65 A G << + 0 0 11 -4,-1.5 36,-0.2 -5,-0.9 -4,-0.2 0.261 64.4 135.0 92.0 -13.2 36.4 24.3 23.9 64 66 A L - 0 0 2 -6,-0.6 2,-0.8 34,-0.1 -1,-0.3 -0.480 50.3-141.5 -72.2 140.8 37.0 21.9 26.8 65 67 A R E -J 97 0D 153 32,-2.9 32,-1.8 -2,-0.2 2,-0.3 -0.854 14.1-155.6-109.6 98.1 40.3 20.1 26.6 66 68 A L E -J 96 0D 13 -2,-0.8 30,-0.2 -11,-0.3 3,-0.1 -0.544 12.4-154.0 -75.5 132.5 39.9 16.5 27.7 67 69 A S S S- 0 0 88 28,-2.1 2,-0.3 -2,-0.3 -1,-0.1 0.637 76.0 -38.0 -78.2 -13.5 43.1 14.7 29.0 68 70 A G - 0 0 28 27,-0.5 2,-0.3 -13,-0.0 27,-0.3 -0.948 58.9-116.9 170.3 174.3 41.5 11.5 28.0 69 71 A V - 0 0 33 -2,-0.3 2,-0.4 -3,-0.1 24,-0.2 -0.958 13.2-139.7-135.4 153.8 38.2 9.5 27.8 70 72 A T E -C 92 0A 76 22,-2.7 22,-2.4 -2,-0.3 2,-0.2 -0.958 27.9-117.9-115.2 132.5 36.9 6.3 29.4 71 73 A F E +C 91 0A 96 -2,-0.4 20,-0.2 20,-0.2 3,-0.1 -0.445 32.6 172.5 -70.6 138.0 34.9 3.9 27.3 72 74 A C E - 0 0 15 18,-2.9 2,-0.3 1,-0.4 19,-0.2 0.720 51.6 -76.9-112.3 -40.1 31.3 3.3 28.4 73 75 A G E -C 90 0A 5 17,-1.4 17,-2.5 2,-0.0 -1,-0.4 -0.990 43.1 -80.7 166.2-167.3 29.8 1.2 25.6 74 76 A T E -Cd 89 138A 32 63,-2.3 65,-2.4 -2,-0.3 2,-0.4 -0.914 14.8-159.4-132.0 156.3 28.3 1.1 22.2 75 77 A C E -Cd 88 139A 0 13,-1.9 13,-3.3 -2,-0.3 2,-0.4 -0.994 17.1-163.8-130.0 133.1 25.0 1.8 20.4 76 78 A E E -Cd 87 140A 29 63,-1.8 65,-2.6 -2,-0.4 2,-0.4 -0.968 5.9-168.9-124.8 140.5 24.4 0.2 17.0 77 79 A W E -Cd 86 141A 18 9,-2.1 9,-2.3 -2,-0.4 2,-0.4 -0.984 4.6-166.5-127.1 136.5 21.8 1.1 14.4 78 80 A F E -C 85 0A 18 63,-1.5 67,-0.2 -2,-0.4 7,-0.2 -0.938 13.5-137.2-122.9 145.9 21.0 -1.0 11.3 79 81 A D - 0 0 21 5,-0.8 3,-0.0 -2,-0.4 7,-0.0 -0.187 43.4 -88.6 -84.8-173.1 19.0 0.0 8.2 80 82 A D S S+ 0 0 153 1,-0.2 -1,-0.1 2,-0.1 63,-0.0 0.884 130.0 45.1 -67.5 -37.8 16.4 -2.3 6.7 81 83 A D S S- 0 0 123 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.696 92.0-150.6 -77.3 -20.7 19.0 -4.0 4.4 82 84 A R + 0 0 85 1,-0.1 -2,-0.1 2,-0.1 -1,-0.1 0.627 57.7 127.2 58.5 15.4 21.5 -4.3 7.3 83 85 A Q S S+ 0 0 150 -78,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.655 76.9 22.0 -74.4 -16.2 24.3 -4.0 4.7 84 86 A H S S- 0 0 67 -79,-0.1 -5,-0.8 -77,-0.0 2,-0.3 -0.895 72.7-159.0-141.1 170.2 25.8 -1.2 6.7 85 87 A R E -aC 7 78A 57 -79,-1.0 -77,-3.0 -2,-0.3 2,-0.5 -0.979 20.0-127.5-151.0 160.9 25.6 0.0 10.3 86 88 A K E -aC 8 77A 52 -9,-2.3 -9,-2.1 -2,-0.3 2,-0.6 -0.967 26.6-162.9-111.1 122.5 26.1 3.1 12.4 87 89 A L E -aC 9 76A 38 -79,-2.7 -77,-2.3 -2,-0.5 2,-0.6 -0.938 2.5-164.3-112.9 112.5 28.4 2.3 15.3 88 90 A G E -aC 10 75A 2 -13,-3.3 -13,-1.9 -2,-0.6 2,-0.6 -0.848 4.6-157.4-100.9 124.9 28.3 4.8 18.1 89 91 A L E -aC 11 74A 18 -79,-2.8 -77,-1.7 -2,-0.6 2,-0.5 -0.895 11.0-155.5-102.1 118.1 31.1 4.7 20.7 90 92 A L E +aC 12 73A 1 -17,-2.5 -18,-2.9 -2,-0.6 -17,-1.4 -0.838 15.7 178.0 -99.5 127.5 30.0 6.4 24.0 91 93 A Y E -aC 13 71A 8 -79,-2.8 -77,-2.4 -2,-0.5 2,-0.3 -0.814 15.5-152.2-124.1 160.6 32.7 7.8 26.3 92 94 A R E +aC 14 70A 111 -22,-2.4 -22,-2.7 -2,-0.3 2,-0.3 -0.933 16.0 174.6-129.9 155.3 32.7 9.6 29.7 93 95 A A E +a 15 0A 11 -79,-1.7 -77,-2.6 -2,-0.3 -24,-0.1 -0.969 22.8 169.3-161.0 146.2 35.3 12.1 31.0 94 96 A S + 0 0 63 -2,-0.3 2,-0.6 -79,-0.2 -1,-0.1 0.331 62.3 86.7-138.3 -0.4 35.7 14.4 34.1 95 97 A N + 0 0 105 -27,-0.3 -28,-2.1 -78,-0.1 -27,-0.5 -0.911 58.1 124.4-109.9 111.1 39.4 15.5 33.7 96 98 A F E -J 66 0D 47 -2,-0.6 2,-0.3 -30,-0.2 -30,-0.2 -0.973 42.7-139.0-157.4 168.2 39.8 18.5 31.5 97 99 A T E +J 65 0D 89 -32,-1.8 -32,-2.9 -2,-0.3 2,-0.0 -0.791 59.4 45.2-126.1 169.8 41.2 22.1 31.2 98 100 A G S S- 0 0 42 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.1 -0.177 72.5 -99.1 87.2 176.6 39.8 25.2 29.6 99 101 A T - 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