==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-OCT-04 1XSQ . COMPND 2 MOLECULE: UREIDOGLYCOLATE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.P.KUZIN,S.M.VOROBIEV,M.ABASHIDZE,T.B.ACTON,L.-C.MA,R.XIAO, . 309 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15032.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 195 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 35.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.6 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 . 37 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 1.9 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+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 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 RESIDUES PER ALPHA HELIX . 1 1 4 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 0 PARALLEL BRIDGES PER LADDER . 5 4 2 5 1 4 2 0 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 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 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 X 0 0 119 0, 0.0 151,-2.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 144.4 13.9 54.7 29.5 2 2 A K E -a 152 0A 160 149,-0.2 2,-0.7 151,-0.1 151,-0.2 -0.480 360.0-160.6 -68.4 125.1 15.7 56.0 26.4 3 3 A L E -a 153 0A 15 149,-2.7 151,-2.3 -2,-0.3 2,-0.4 -0.915 14.8-143.1-109.6 104.2 17.2 53.1 24.4 4 4 A Q E -a 154 0A 103 -2,-0.7 2,-0.6 149,-0.2 100,-0.6 -0.529 8.8-137.2 -72.6 124.4 19.9 54.6 22.1 5 5 A V E -b 104 0A 11 149,-3.1 100,-0.2 -2,-0.4 -1,-0.1 -0.718 27.2-171.1 -86.0 118.7 20.0 53.0 18.7 6 6 A L E -b 105 0A 84 98,-2.3 100,-2.2 -2,-0.6 2,-0.1 -0.661 32.8 -79.4-108.8 162.8 23.7 52.5 17.6 7 7 A P E -b 106 0A 102 0, 0.0 2,-0.2 0, 0.0 100,-0.2 -0.354 50.1-116.9 -60.7 134.5 25.3 51.4 14.4 8 8 A L + 0 0 10 98,-2.1 2,-0.3 -2,-0.1 100,-0.1 -0.524 42.6 165.2 -74.9 135.0 25.1 47.6 13.8 9 9 A S > - 0 0 32 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.979 45.1-120.1-145.5 153.0 28.5 45.8 13.7 10 10 A Q H > S+ 0 0 46 -2,-0.3 4,-2.5 1,-0.2 7,-0.2 0.911 112.6 54.2 -61.2 -42.8 29.4 42.1 13.9 11 11 A E H 4 S+ 0 0 171 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.876 113.9 41.2 -61.9 -35.5 31.6 42.7 17.0 12 12 A A H 4 S+ 0 0 39 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.773 121.3 42.0 -82.6 -24.4 28.7 44.3 18.9 13 13 A F H >X S+ 0 0 0 -4,-1.8 3,-3.1 1,-0.2 4,-1.6 0.676 84.5 95.9 -94.4 -21.1 26.1 41.9 17.6 14 14 A S T 3< S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.680 79.4 58.3 -46.4 -28.4 28.0 38.6 17.9 15 15 A A T 34 S+ 0 0 55 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.663 116.1 35.2 -78.5 -13.1 26.5 37.8 21.4 16 16 A Y T <4 S- 0 0 11 -3,-3.1 100,-2.5 1,-0.3 2,-0.3 0.639 129.3 -60.3-111.1 -23.4 23.0 37.9 19.9 17 17 A G E < -G 115 0B 0 -4,-1.6 2,-0.4 98,-0.3 -1,-0.3 -0.957 65.7 -59.6 170.5-153.6 23.4 36.5 16.4 18 18 A D E -G 114 0B 37 96,-2.3 96,-2.2 -2,-0.3 2,-0.5 -0.956 31.6-130.6-128.8 146.6 25.3 37.2 13.2 19 19 A V E -G 113 0B 0 -2,-0.4 2,-0.9 94,-0.2 94,-0.2 -0.821 19.4-142.5 -93.9 126.1 25.4 40.1 10.8 20 20 A I E +G 112 0B 0 92,-2.8 92,-2.0 -2,-0.5 2,-0.3 -0.797 51.6 116.4 -91.5 106.1 25.0 39.1 7.2 21 21 A E - 0 0 17 -2,-0.9 90,-0.1 90,-0.2 189,-0.1 -0.959 59.7-135.2-159.8 171.4 27.3 41.3 5.2 22 22 A T > + 0 0 23 88,-0.3 3,-2.2 -2,-0.3 -1,-0.1 0.662 61.6 119.6-109.2 -23.3 30.4 41.4 2.9 23 23 A Q T 3 S- 0 0 123 1,-0.3 3,-0.1 87,-0.2 -2,-0.1 -0.223 96.7 -16.4 -51.6 117.1 32.4 44.3 4.3 24 24 A Q T 3 S+ 0 0 168 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.717 103.0 139.4 59.3 23.8 35.8 43.2 5.6 25 25 A R < - 0 0 52 -3,-2.2 -1,-0.2 1,-0.1 13,-0.0 -0.769 58.3-106.2-101.0 144.2 34.6 39.5 5.6 26 26 A D + 0 0 133 -2,-0.3 2,-0.3 -3,-0.1 10,-0.3 -0.337 45.1 176.5 -64.9 146.0 36.8 36.6 4.4 27 27 A F - 0 0 66 8,-0.2 2,-0.4 -2,-0.0 8,-0.2 -0.962 29.3-118.8-148.3 164.2 35.9 35.1 1.1 28 28 A F E -M 34 0C 95 6,-2.1 6,-2.7 -2,-0.3 2,-0.6 -0.890 27.4-125.9-106.3 136.2 37.0 32.5 -1.4 29 29 A H E M 33 0C 153 -2,-0.4 4,-0.2 4,-0.2 -2,-0.0 -0.724 360.0 360.0 -81.2 121.1 37.9 33.5 -5.0 30 30 A I 0 0 132 2,-3.7 3,-0.2 -2,-0.6 -1,-0.2 0.718 360.0 360.0-114.0 360.0 35.8 31.4 -7.3 31 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 32 35 A V 0 0 49 0, 0.0 -2,-3.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 128.3 32.8 34.9 -8.1 33 36 A E E -MN 29 212C 52 179,-2.4 179,-2.8 -4,-0.2 2,-0.8 -0.943 360.0-155.0-108.5 114.9 33.7 36.0 -4.6 34 37 A R E -MN 28 211C 64 -6,-2.7 -6,-2.1 -2,-0.6 2,-1.4 -0.813 6.0-162.6 -96.6 106.6 32.1 33.7 -2.0 35 38 A Y E - N 0 210C 13 175,-3.1 175,-1.7 -2,-0.8 3,-0.4 -0.725 30.8-156.2 -88.1 92.6 31.6 35.3 1.4 36 39 A H E + 0 0 42 -2,-1.4 173,-0.1 -10,-0.3 -10,-0.1 -0.277 49.2 4.0 -79.1 157.0 31.1 32.1 3.3 37 40 A D E + 0 0 78 1,-0.1 172,-0.2 2,-0.1 -1,-0.2 0.835 63.5 154.6 40.8 55.7 29.5 31.1 6.5 38 41 A L E S+ 0 0 5 170,-2.1 2,-0.3 -3,-0.4 171,-0.2 0.773 71.9 6.3 -77.2 -27.3 28.0 34.5 7.4 39 42 A A E - N 0 208C 3 169,-1.3 169,-2.9 74,-0.1 2,-0.5 -0.985 66.2-136.8-156.5 146.6 25.3 32.9 9.5 40 43 A L E - N 0 207C 77 -2,-0.3 2,-0.6 167,-0.2 167,-0.2 -0.926 16.4-145.9-109.6 123.4 24.3 29.4 10.7 41 44 A V E - N 0 206C 9 165,-3.0 165,-0.7 -2,-0.5 2,-0.5 -0.803 18.8-176.7 -90.6 121.3 20.7 28.4 10.5 42 45 A E + 0 0 83 -2,-0.6 33,-1.9 163,-0.1 2,-0.4 -0.961 4.0 175.9-123.0 113.0 19.8 26.1 13.4 43 46 A I B -S 74 0D 27 -2,-0.5 3,-0.4 31,-0.2 2,-0.3 -0.966 14.5-151.5-119.5 130.9 16.3 24.7 13.5 44 47 A L S S+ 0 0 60 29,-3.4 29,-0.1 -2,-0.4 3,-0.1 -0.712 71.3 10.5-101.4 153.9 15.1 22.2 16.1 45 48 A E S S+ 0 0 156 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.857 112.6 79.9 50.7 43.6 12.5 19.5 15.9 46 49 A Q - 0 0 56 -3,-0.4 -3,-0.1 27,-0.0 -1,-0.1 -0.831 67.1-147.1-173.6 134.1 12.2 19.9 12.1 47 50 A D S S+ 0 0 159 -2,-0.3 153,-0.3 -3,-0.1 2,-0.3 0.216 80.2 53.6 -94.8 14.9 14.3 18.6 9.3 48 51 A C - 0 0 29 151,-0.1 2,-0.3 90,-0.1 151,-0.2 -0.986 67.4-138.9-147.2 155.7 13.8 21.5 7.0 49 52 A T E -H 198 0B 6 149,-2.4 149,-3.2 -2,-0.3 2,-0.4 -0.872 22.3-134.1-113.3 147.0 14.1 25.3 7.0 50 53 A L E -HI 197 137B 18 87,-2.9 87,-2.0 -2,-0.3 2,-0.5 -0.863 6.7-152.9-110.1 138.8 11.5 27.6 5.4 51 54 A I E +HI 196 136B 0 145,-2.6 144,-2.2 -2,-0.4 145,-1.3 -0.914 29.0 153.3-106.7 129.7 12.1 30.7 3.2 52 55 A S E - I 0 135B 2 83,-2.3 83,-3.6 -2,-0.5 2,-0.4 -0.855 37.5-123.8-143.3 174.8 9.5 33.4 3.2 53 56 A I E -HI 192 134B 2 139,-1.9 139,-3.1 -2,-0.3 2,-0.6 -0.995 15.4-161.2-129.7 125.4 9.2 37.1 2.5 54 57 A N E -HI 191 133B 9 79,-2.4 79,-2.4 -2,-0.4 2,-0.9 -0.934 5.8-157.1-108.8 113.5 7.8 39.5 5.1 55 58 A R E -HI 190 132B 63 135,-2.7 135,-2.3 -2,-0.6 2,-0.4 -0.820 23.0-165.3 -90.3 108.5 6.7 42.8 3.7 56 59 A A E - I 0 131B 0 75,-3.0 75,-2.1 -2,-0.9 69,-0.1 -0.798 16.7-133.5-107.6 140.0 6.8 45.2 6.7 57 60 A Q - 0 0 108 -2,-0.4 69,-2.6 73,-0.2 72,-0.1 -0.482 37.6 -98.4 -80.7 154.0 5.3 48.6 7.2 58 61 A P B -t 126 0E 48 0, 0.0 69,-0.2 0, 0.0 -1,-0.1 -0.409 41.5-105.8 -73.1 151.3 7.5 51.3 8.7 59 62 A A - 0 0 29 67,-1.9 2,-0.6 70,-0.1 69,-0.3 -0.404 30.5-113.0 -74.5 152.9 7.2 52.0 12.4 60 63 A N - 0 0 145 2,-0.1 -1,-0.1 -2,-0.1 0, 0.0 -0.800 48.7-103.4 -90.0 118.8 5.4 55.1 13.6 61 64 A L S S+ 0 0 75 -2,-0.6 2,-0.1 2,-0.1 3,-0.0 -0.663 105.0 54.2 -90.2 145.7 7.9 57.5 15.3 62 65 A P S S- 0 0 117 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.335 88.7-154.6 -68.0 131.5 8.5 58.1 18.1 63 66 A L - 0 0 16 90,-0.3 90,-1.8 -4,-0.1 2,-0.4 -0.674 15.8-179.2 -84.7 127.9 8.9 54.4 18.4 64 67 A T E -C 152 0A 50 -2,-0.4 2,-0.3 88,-0.2 88,-0.2 -0.995 6.5-163.7-127.6 129.7 8.3 53.0 21.9 65 68 A I E +C 151 0A 1 86,-2.2 86,-2.5 -2,-0.4 3,-0.1 -0.839 19.0 172.1-114.9 154.3 8.6 49.3 22.7 66 69 A H E + 0 0 106 -2,-0.3 82,-1.8 1,-0.3 2,-0.3 0.248 63.0 35.3-143.3 12.7 7.4 47.3 25.7 67 70 A E E -C 147 0A 75 80,-0.3 2,-0.3 82,-0.1 -1,-0.3 -0.984 54.5-152.2-164.7 156.6 8.0 43.6 24.9 68 71 A L E -C 146 0A 0 78,-2.4 78,-2.3 -2,-0.3 2,-0.3 -0.916 11.2-149.7-130.9 156.4 10.4 41.2 23.2 69 72 A E E -CD 145 121A 32 52,-3.4 52,-2.6 -2,-0.3 2,-0.3 -0.858 10.0-168.3-123.9 159.5 9.8 37.8 21.6 70 73 A R E -C 144 0A 24 74,-2.1 74,-1.9 -2,-0.3 50,-0.1 -0.996 18.7-140.0-149.3 153.3 12.1 34.7 21.2 71 74 A H > - 0 0 33 48,-0.4 47,-2.5 -2,-0.3 3,-1.0 -0.912 13.0-176.9-116.2 103.1 12.1 31.4 19.3 72 75 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 71,-0.1 0.769 83.4 54.8 -68.5 -25.2 13.4 28.5 21.4 73 76 A L T 3 S- 0 0 31 69,-0.4 -29,-3.4 1,-0.2 2,-0.3 0.367 115.5 -3.7 -92.2 2.9 13.2 26.2 18.4 74 77 A G B < -S 43 0D 4 -3,-1.0 44,-0.5 -31,-0.2 -31,-0.2 -0.938 63.4 -93.3 175.4 161.2 15.3 28.1 15.9 75 78 A T - 0 0 5 -33,-1.9 63,-0.5 -2,-0.3 2,-0.4 -0.324 35.6-149.6 -73.8 165.6 17.3 30.9 14.5 76 79 A Q E -J 115 0B 15 39,-1.5 39,-3.1 61,-0.1 2,-0.4 -0.945 9.0-165.1-146.4 120.7 15.6 33.6 12.5 77 80 A A E -JK 114 136B 0 59,-2.3 59,-1.9 -2,-0.4 2,-0.4 -0.865 5.1-173.7-111.0 141.2 17.2 35.6 9.7 78 81 A F E +JK 113 135B 9 35,-2.7 35,-2.4 -2,-0.4 57,-0.2 -0.988 5.3 175.6-134.0 123.3 16.0 38.8 8.0 79 82 A I E - K 0 134B 2 55,-2.2 55,-3.1 -2,-0.4 33,-0.2 -0.981 28.5-128.9-130.6 119.1 17.6 40.3 5.0 80 83 A P E - K 0 133B 6 0, 0.0 3,-0.3 0, 0.0 53,-0.2 -0.340 12.8-147.4 -63.8 147.8 16.2 43.4 3.2 81 84 A X S S+ 0 0 14 51,-2.0 159,-0.6 1,-0.2 52,-0.1 0.490 88.4 40.7 -99.4 -1.7 15.8 42.9 -0.5 82 85 A K B S-U 239 0F 80 50,-0.3 -1,-0.2 157,-0.2 157,-0.2 -0.058 118.4 -91.9-135.6 34.0 16.4 46.4 -1.8 83 86 A G + 0 0 21 155,-0.7 2,-0.1 -3,-0.3 156,-0.1 0.701 69.6 166.5 65.7 23.1 19.3 47.6 0.4 84 87 A E - 0 0 41 48,-0.2 25,-0.3 1,-0.1 2,-0.3 -0.359 36.4-124.0 -74.4 147.7 17.0 49.2 3.0 85 88 A V + 0 0 46 42,-0.2 42,-0.5 23,-0.2 2,-0.3 -0.655 37.7 175.1 -84.4 141.7 18.2 50.3 6.4 86 89 A F - 0 0 6 -2,-0.3 21,-2.8 40,-0.1 2,-0.4 -0.939 24.5-120.1-144.7 171.1 16.3 48.7 9.3 87 90 A V E -E 106 0A 5 38,-0.4 2,-0.3 -2,-0.3 38,-0.3 -0.913 21.2-173.8-118.6 140.8 16.3 48.6 13.1 88 91 A V E -E 105 0A 1 17,-2.5 17,-2.7 -2,-0.4 2,-0.4 -0.944 9.7-158.3-131.6 151.6 16.7 45.6 15.5 89 92 A V E +E 104 0A 0 -2,-0.3 33,-1.2 15,-0.2 2,-0.3 -0.999 19.9 177.9-131.0 128.2 16.4 45.3 19.2 90 93 A V E +EF 103 121A 0 13,-2.7 13,-2.4 -2,-0.4 2,-0.3 -0.906 12.0 170.1-132.6 159.7 18.0 42.4 21.1 91 94 A A E - F 0 120A 0 29,-1.7 29,-1.7 -2,-0.3 11,-0.1 -0.966 20.9-139.0-162.7 148.3 18.6 40.9 24.5 92 95 A L E +E 98 0A 56 6,-0.5 6,-3.0 -2,-0.3 9,-0.2 -0.309 38.3 131.5 -96.5-172.0 19.9 37.8 26.1 93 96 A G - 0 0 15 4,-0.3 27,-0.1 -2,-0.1 -2,-0.1 0.113 43.6-144.2 127.1 117.7 18.4 36.0 29.1 94 97 A D S S+ 0 0 146 3,-0.1 -1,-0.0 -2,-0.0 24,-0.0 0.828 101.3 17.7 -76.9 -33.1 17.5 32.4 29.7 95 98 A D S S- 0 0 122 1,-0.5 -2,-0.0 0, 0.0 -1,-0.0 0.846 137.9 -5.3-100.1 -64.4 14.3 33.0 31.8 96 99 A K S S- 0 0 126 50,-0.0 -1,-0.5 1,-0.0 2,-0.1 -0.839 96.8 -67.5-127.7 164.6 13.4 36.6 31.1 97 100 A P - 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