==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-01 1GKR . COMPND 2 MOLECULE: NON-ATP DEPENDENT L-SELECTIVE HYDANTOINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER AURESCENS; . AUTHOR J.ABENDROTH,K.NIEFIND,D.SCHOMBURG . 1804 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1324 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 208 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 184 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 0.9 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 . 116 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 200 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 468 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 2.7 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 8 0 0 8 8 4 0 4 4 8 8 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 12 8 16 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 PARALLEL BRIDGES PER LADDER . 8 8 6 4 8 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 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 0 116 0, 0.0 2,-0.4 0, 0.0 40,-0.2 0.000 360.0 360.0 360.0-160.5 88.4 -74.0 -68.7 2 2 A F E -a 41 0A 47 38,-2.3 40,-2.3 1,-0.1 41,-0.3 -0.818 360.0-144.1-108.9 143.9 85.4 -72.1 -67.4 3 3 A D E S- 0 0 65 21,-1.1 40,-1.4 -2,-0.4 2,-0.3 0.914 84.0 -6.7 -68.5 -42.8 83.2 -69.5 -69.2 4 4 A V E -aB 43 24A 7 20,-1.7 20,-2.8 38,-0.2 2,-0.4 -0.995 54.9-156.7-156.1 149.4 82.8 -67.4 -66.1 5 5 A I E -aB 44 23A 4 38,-1.5 40,-3.3 -2,-0.3 2,-0.7 -0.997 4.6-162.2-129.2 125.8 83.5 -67.3 -62.4 6 6 A V E -aB 45 22A 0 16,-2.6 16,-2.7 -2,-0.4 2,-0.3 -0.942 26.1-167.2-106.1 112.4 81.5 -65.2 -60.0 7 7 A K E +a 46 0A 61 38,-3.1 40,-3.1 -2,-0.7 41,-0.6 -0.733 52.2 26.6-111.3 159.6 83.7 -64.9 -56.9 8 8 A N E S+ 0 0 73 -2,-0.3 41,-2.4 1,-0.2 2,-0.3 0.942 77.5 168.1 64.7 51.8 83.3 -63.8 -53.3 9 9 A C E - B 0 20A 3 11,-2.2 11,-1.5 -3,-0.3 2,-0.9 -0.737 39.7-151.2 -96.2 144.4 79.6 -64.6 -53.3 10 10 A R E -cB 51 19A 89 40,-1.8 42,-1.9 -2,-0.3 2,-0.3 -0.835 34.7-156.5-111.1 81.2 77.5 -64.8 -50.1 11 11 A L E -cB 52 18A 13 7,-1.7 7,-2.5 -2,-0.9 2,-0.4 -0.490 6.4-155.5 -67.9 120.0 75.3 -67.3 -51.8 12 12 A V E + B 0 17A 1 40,-2.8 2,-0.2 -2,-0.3 5,-0.2 -0.833 19.6 163.6-108.6 137.2 71.8 -67.5 -50.3 13 13 A S E > - B 0 16A 29 3,-1.7 3,-1.3 -2,-0.4 348,-0.2 -0.752 57.3 -85.5-131.1 177.5 69.3 -70.5 -50.4 14 14 A S T 3 S+ 0 0 28 1,-0.3 348,-0.1 -2,-0.2 3,-0.1 0.779 125.5 42.8 -62.7 -24.1 66.2 -71.2 -48.4 15 15 A D T 3 S- 0 0 42 1,-0.3 -1,-0.3 344,-0.0 2,-0.2 0.047 121.3 -40.8-115.4 35.1 68.2 -72.7 -45.7 16 16 A G E < -B 13 0A 18 -3,-1.3 -3,-1.7 2,-0.0 2,-0.5 -0.592 55.8 -84.1 135.2 162.3 71.2 -70.5 -45.1 17 17 A I E -B 12 0A 58 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.891 37.5-172.0-103.5 128.0 74.0 -68.3 -46.6 18 18 A T E -B 11 0A 28 -7,-2.5 -7,-1.7 -2,-0.5 2,-0.7 -0.975 21.1-129.6-122.9 137.7 77.2 -70.1 -47.7 19 19 A E E +B 10 0A 141 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.746 54.5 112.5 -87.2 113.3 80.4 -68.3 -48.7 20 20 A A E -B 9 0A 3 -11,-1.5 -11,-2.2 -2,-0.7 2,-0.4 -0.925 58.1 -99.8-161.0-176.5 81.8 -69.5 -52.0 21 21 A D E - D 0 33A 11 12,-2.6 12,-2.3 -2,-0.3 2,-0.5 -0.916 28.0-136.4-118.2 147.1 82.5 -69.0 -55.7 22 22 A I E -BD 6 32A 0 -16,-2.7 -16,-2.6 -2,-0.4 2,-0.6 -0.908 11.3-163.0-110.1 126.9 80.4 -70.1 -58.6 23 23 A L E -BD 5 31A 4 8,-2.9 7,-3.2 -2,-0.5 8,-2.0 -0.939 12.7-167.6-107.5 120.7 82.0 -71.6 -61.7 24 24 A V E +BD 4 29A 1 -20,-2.8 -20,-1.7 -2,-0.6 -21,-1.1 -0.911 11.6 171.7-117.2 138.8 79.8 -71.7 -64.8 25 25 A K E > + D 0 28A 85 3,-2.4 3,-1.6 -2,-0.4 -23,-0.1 -0.991 68.1 0.8-144.1 135.6 80.3 -73.6 -68.0 26 26 A D T 3 S- 0 0 128 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.871 129.4 -57.0 55.4 41.0 78.0 -74.1 -71.0 27 27 A G T 3 S+ 0 0 16 1,-0.2 360,-2.5 403,-0.1 2,-0.3 0.426 119.6 88.9 75.7 0.6 75.3 -72.0 -69.3 28 28 A K E < S-DE 25 386A 96 -3,-1.6 -3,-2.4 358,-0.3 2,-0.5 -0.855 89.2 -87.9-128.1 163.9 75.0 -74.0 -66.1 29 29 A V E +D 24 0A 2 356,-2.7 355,-2.4 353,-0.4 -5,-0.3 -0.577 40.3 177.6 -69.1 120.7 76.7 -74.1 -62.7 30 30 A A E - 0 0 14 -7,-3.2 456,-3.7 -2,-0.5 457,-0.4 0.727 63.0 -8.6 -95.7 -27.1 79.7 -76.4 -63.2 31 31 A A E -DF 23 485A 5 -8,-2.0 -8,-2.9 454,-0.3 2,-0.4 -0.989 46.0-150.0-167.0 157.2 81.0 -76.0 -59.6 32 32 A I E +DF 22 484A 22 452,-2.3 452,-2.3 -2,-0.3 2,-0.3 -0.994 33.9 169.4-131.6 121.7 80.7 -74.3 -56.3 33 33 A S E -DF 21 483A 13 -12,-2.3 -12,-2.6 -2,-0.4 450,-0.2 -0.980 45.2-129.1-143.0 155.1 83.9 -74.0 -54.4 34 34 A A S S+ 0 0 55 448,-3.2 2,-0.3 -2,-0.3 449,-0.1 0.827 98.7 18.4 -66.0 -33.1 85.5 -72.3 -51.4 35 35 A D + 0 0 103 447,-0.4 -1,-0.2 -14,-0.1 3,-0.1 -0.987 48.0 176.0-146.5 132.1 88.5 -71.0 -53.4 36 36 A T > + 0 0 10 -2,-0.3 3,-1.4 -3,-0.1 -1,-0.1 0.166 37.3 133.4-118.1 16.7 89.1 -70.5 -57.1 37 37 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.1 3,-0.0 2,-0.1 0.751 77.7 36.6 -35.6 -42.1 92.6 -68.9 -56.8 38 38 A D T 3 S+ 0 0 161 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 -0.294 91.1 98.9-119.2 54.1 94.0 -71.1 -59.5 39 39 A V < - 0 0 62 -3,-1.4 2,-0.4 -2,-0.1 -3,-0.0 -0.977 61.6-129.9-132.2 145.4 91.4 -71.7 -62.2 40 40 A E + 0 0 152 -2,-0.4 -38,-2.3 -36,-0.0 2,-0.3 -0.821 25.9 174.1-102.2 137.7 91.0 -70.0 -65.5 41 41 A A E -a 2 0A 23 -2,-0.4 -38,-0.2 -40,-0.2 -37,-0.1 -0.991 36.5-131.1-138.2 143.3 87.8 -68.4 -66.8 42 42 A S E S+ 0 0 93 -40,-2.3 2,-0.3 -2,-0.3 -38,-0.2 0.892 98.6 22.2 -58.7 -40.8 87.1 -66.3 -69.9 43 43 A R E S-a 4 0A 117 -40,-1.4 -38,-1.5 -41,-0.3 2,-0.4 -0.959 71.3-158.7-130.5 145.4 85.3 -63.8 -67.8 44 44 A T E -a 5 0A 75 -2,-0.3 2,-0.5 -40,-0.2 -38,-0.2 -0.988 3.3-169.2-130.1 129.8 85.5 -63.0 -64.1 45 45 A I E -a 6 0A 18 -40,-3.3 -38,-3.1 -2,-0.4 2,-0.7 -0.963 9.9-153.9-116.5 129.2 82.9 -61.3 -61.9 46 46 A D E -a 7 0A 84 -2,-0.5 -38,-0.2 -40,-0.2 -40,-0.1 -0.902 8.4-172.2-104.6 114.8 83.7 -60.2 -58.4 47 47 A A > - 0 0 0 -40,-3.1 3,-1.6 -2,-0.7 -39,-0.2 0.645 28.4-143.2 -77.1 -14.5 80.7 -60.0 -56.2 48 48 A G T 3 - 0 0 57 -41,-0.6 -40,-0.2 1,-0.3 -39,-0.1 0.780 65.5 -55.1 58.0 28.2 82.8 -58.5 -53.5 49 49 A G T 3 S+ 0 0 21 -41,-2.4 -1,-0.3 -42,-0.3 -40,-0.2 0.606 98.9 141.5 83.6 10.7 81.0 -60.3 -50.8 50 50 A K < - 0 0 80 -3,-1.6 -40,-1.8 -42,-0.3 -1,-0.2 -0.395 63.3 -84.5 -79.6 164.8 77.5 -59.1 -51.7 51 51 A F E -c 10 0A 57 -42,-0.2 341,-3.1 341,-0.2 2,-0.4 -0.496 42.5-162.8 -70.8 136.0 74.6 -61.5 -51.5 52 52 A V E +cG 11 391A 0 -42,-1.9 -40,-2.8 339,-0.2 339,-0.2 -0.983 13.8 173.4-120.4 131.2 74.1 -63.6 -54.6 53 53 A M E - G 0 390A 0 337,-1.8 337,-1.6 -2,-0.4 -40,-0.1 -0.883 37.1 -88.6-132.9 164.7 70.7 -65.4 -55.1 54 54 A P E - G 0 389A 3 0, 0.0 335,-0.3 0, 0.0 327,-0.1 -0.349 59.2 -85.1 -70.0 157.0 69.1 -67.5 -57.8 55 55 A G - 0 0 1 333,-2.1 324,-0.3 372,-0.1 32,-0.2 -0.309 53.3-102.3 -59.7 144.4 67.2 -65.6 -60.5 56 56 A V E -t 87 0B 2 30,-2.3 33,-1.6 -3,-0.1 32,-0.9 -0.495 28.7-149.1 -70.9 138.0 63.6 -64.9 -59.4 57 57 A V E -t 89 0B 0 307,-2.4 2,-0.7 -2,-0.2 33,-0.2 -0.931 10.7-164.0-110.7 106.9 61.0 -67.2 -60.9 58 58 A D E -t 90 0B 3 31,-2.1 33,-1.6 -2,-0.7 3,-0.2 -0.838 10.9-176.7 -98.6 112.0 57.7 -65.4 -61.4 59 59 A E E S+ 0 0 0 -2,-0.7 2,-0.3 250,-0.4 -1,-0.1 0.425 72.0 63.4 -83.1 -3.2 54.8 -67.8 -62.0 60 60 A H E + 0 0 0 249,-0.1 252,-2.2 33,-0.0 253,-0.9 -0.618 64.2 143.7-129.9 79.4 52.2 -65.0 -62.4 61 61 A V E -tu 92 313B 0 30,-1.5 32,-2.9 -2,-0.3 2,-0.3 -0.937 26.5-174.5-122.0 135.6 52.9 -62.8 -65.4 62 62 A H E + u 0 314B 20 251,-2.4 253,-0.6 -2,-0.4 3,-0.2 -0.650 28.4 145.2-122.5 70.8 50.5 -61.2 -67.9 63 63 A I - 0 0 0 -2,-0.3 2,-2.1 1,-0.2 -1,-0.1 0.833 34.5-174.6 -72.5 -28.0 52.6 -59.6 -70.6 64 64 A I + 0 0 16 29,-0.2 -1,-0.2 -3,-0.2 5,-0.1 -0.483 16.1 157.4 74.4 -73.0 49.7 -60.6 -72.8 65 65 A D > + 0 0 0 -2,-2.1 3,-1.5 8,-0.7 32,-0.5 -0.111 25.7 93.1 54.2-143.3 51.2 -59.6 -76.1 66 66 A M G > S- 0 0 9 1,-0.3 3,-2.6 2,-0.2 4,-0.2 -0.209 107.4 -8.8 56.7-145.3 49.8 -61.3 -79.3 67 67 A D G 3 S+ 0 0 116 30,-1.5 -1,-0.3 1,-0.3 3,-0.2 0.653 143.6 49.1 -57.8 -13.5 47.0 -59.4 -81.1 68 68 A L G X> S+ 0 0 26 -3,-1.5 3,-2.3 29,-0.4 4,-2.0 0.206 73.1 118.6-109.8 15.6 46.8 -57.0 -78.2 69 69 A K T <4 S+ 0 0 48 -3,-2.6 -1,-0.1 1,-0.3 -4,-0.1 0.814 72.2 53.9 -55.1 -32.9 50.4 -56.2 -77.9 70 70 A N T 34 S+ 0 0 125 -3,-0.2 -1,-0.3 -4,-0.2 4,-0.1 0.538 115.5 40.5 -81.5 0.4 50.0 -52.5 -78.6 71 71 A R T <4 S+ 0 0 115 -3,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.741 129.5 12.8-114.2 -33.4 47.5 -52.2 -75.8 72 72 A Y S < S- 0 0 44 -4,-2.0 337,-0.3 1,-0.3 2,-0.3 0.815 116.7 -32.3-112.9 -54.0 48.7 -54.3 -72.9 73 73 A G - 0 0 0 -5,-0.4 -8,-0.7 335,-0.1 2,-0.4 -0.953 39.5-137.4-171.6 152.5 52.3 -55.4 -73.2 74 74 A R >>> - 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