==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-MAY-06 2GWN . COMPND 2 MOLECULE: DIHYDROOROTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR M.E.CUFF,M.BOROVILOS,S.MOY,A.JOACHIMIAK,MIDWEST CENTER FOR S . 451 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 10.4 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 . 4 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 . 44 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 2 0 1 1 0 3 0 0 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 3 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 PARALLEL BRIDGES PER LADDER . 2 2 0 2 1 1 0 0 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 . 2 0 0 1 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 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 -2 A S 0 0 137 0, 0.0 2,-0.4 0, 0.0 428,-0.1 0.000 360.0 360.0 360.0 144.4 17.0 35.4 -1.5 2 -1 A N + 0 0 29 426,-0.6 27,-0.2 1,-0.1 428,-0.1 -0.737 360.0 166.4 -83.7 138.7 16.2 33.2 -4.6 3 0 A A + 0 0 75 -2,-0.4 2,-0.2 25,-0.2 -1,-0.1 0.335 47.9 97.4-125.6 -4.4 14.1 34.8 -7.3 4 1 A X S S- 0 0 90 425,-0.1 24,-1.9 24,-0.1 2,-0.7 -0.473 76.9-117.4 -90.1 154.6 14.6 32.3 -10.0 5 2 A K E -A 27 0A 71 22,-0.2 43,-2.0 -2,-0.2 44,-1.8 -0.862 38.8-170.8 -84.2 118.4 12.5 29.4 -11.2 6 3 A I E -Ab 26 49A 6 20,-2.1 20,-3.0 -2,-0.7 2,-0.6 -0.969 10.3-152.3-119.2 125.8 14.7 26.4 -10.6 7 4 A L E -Ab 25 50A 0 42,-2.8 44,-3.1 -2,-0.5 2,-0.9 -0.857 6.5-158.5-102.3 120.0 13.8 23.0 -11.8 8 5 A L E -Ab 24 51A 0 16,-3.2 16,-2.1 -2,-0.6 2,-0.5 -0.873 33.3-149.8 -90.9 103.8 15.0 19.9 -10.0 9 6 A R E - b 0 52A 15 42,-2.7 44,-2.8 -2,-0.9 45,-0.3 -0.702 50.3 -17.7 -99.5 125.6 14.7 17.7 -12.9 10 7 A N E S+ 0 0 23 -2,-0.5 45,-0.4 27,-0.2 46,-0.2 0.845 80.5 157.6 57.7 45.6 13.9 13.9 -12.9 11 8 A A E -A 22 0A 3 11,-1.9 11,-2.8 -3,-0.4 2,-0.7 -0.312 51.9-108.4 -77.6 172.0 14.7 13.0 -9.3 12 9 A L E -Ac 21 57A 59 44,-2.3 46,-2.5 41,-0.3 2,-0.3 -0.935 45.8-154.5 -99.9 104.7 13.4 10.1 -7.4 13 10 A I E -Ac 20 58A 1 7,-2.8 7,-2.6 -2,-0.7 2,-0.5 -0.656 16.8-167.1 -88.6 136.6 11.0 11.9 -5.0 14 11 A T E +A 19 0A 0 44,-2.4 2,-0.3 -2,-0.3 5,-0.2 -0.984 27.4 143.3-117.5 122.5 10.0 10.6 -1.6 15 12 A N E > -A 18 0A 15 3,-2.6 3,-1.5 -2,-0.5 364,-0.1 -0.934 61.5 -6.0-159.3 132.1 7.1 12.4 0.0 16 13 A E T 3 S- 0 0 79 -2,-0.3 3,-0.1 1,-0.3 342,-0.1 0.859 128.4 -45.4 53.4 47.8 4.1 11.4 2.2 17 14 A G T 3 S+ 0 0 55 341,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.434 119.0 100.6 86.4 -0.3 4.6 7.7 2.1 18 15 A K E < -A 15 0A 141 -3,-1.5 -3,-2.6 340,-0.1 2,-0.4 -0.936 50.9-162.7-121.5 142.1 5.2 7.5 -1.7 19 16 A T E +A 14 0A 45 -2,-0.4 -5,-0.2 -5,-0.2 339,-0.0 -0.991 29.4 149.2-120.7 128.7 8.4 7.2 -3.7 20 17 A F E -A 13 0A 37 -7,-2.6 -7,-2.8 -2,-0.4 -9,-0.0 -0.996 50.7 -96.6-157.6 145.3 8.2 8.1 -7.4 21 18 A P E +A 12 0A 78 0, 0.0 16,-2.7 0, 0.0 2,-0.3 -0.406 65.4 130.1 -60.3 139.1 10.2 9.6 -10.3 22 19 A G E -AD 11 36A 0 -11,-2.8 -11,-1.9 14,-0.3 2,-0.3 -0.977 49.2-116.2-175.8 172.7 9.4 13.3 -10.6 23 20 A S E - D 0 35A 0 12,-2.6 12,-3.2 -2,-0.3 2,-0.5 -0.896 18.6-149.0-120.4 154.4 10.6 16.9 -10.9 24 21 A V E -AD 8 34A 0 -16,-2.1 -16,-3.2 -2,-0.3 2,-0.5 -0.992 5.7-150.7-125.9 127.0 10.1 19.8 -8.5 25 22 A X E -AD 7 33A 3 8,-2.8 7,-2.8 -2,-0.5 8,-1.6 -0.873 8.9-160.0 -96.3 126.0 9.8 23.4 -9.6 26 23 A I E -AD 6 31A 0 -20,-3.0 -20,-2.1 -2,-0.5 2,-0.5 -0.886 4.3-169.3 -99.2 131.6 11.1 26.0 -7.2 27 24 A D E > -AD 5 30A 75 3,-3.1 3,-1.8 -2,-0.4 -22,-0.2 -0.919 61.9 -54.9-123.9 104.3 9.8 29.5 -7.6 28 25 A G T 3 S- 0 0 10 -24,-1.9 -25,-0.2 -2,-0.5 -24,-0.1 -0.474 122.5 -14.8 62.7-126.7 11.7 32.0 -5.4 29 26 A A T 3 S+ 0 0 23 -2,-0.2 357,-2.9 -27,-0.2 2,-0.3 0.561 126.4 72.8 -82.7 -6.8 11.5 30.7 -1.8 30 27 A F E < S-DE 27 385A 69 -3,-1.8 -3,-3.1 355,-0.3 2,-0.5 -0.728 80.8-113.6-117.8 156.9 8.7 28.3 -2.5 31 28 A I E +D 26 0A 1 353,-3.0 352,-3.2 350,-0.3 -5,-0.2 -0.724 34.7 175.2 -76.5 125.1 7.8 25.0 -4.1 32 29 A S E + 0 0 47 -7,-2.8 2,-0.3 -2,-0.5 -6,-0.2 0.775 57.1 7.7-104.9 -32.7 5.5 25.8 -6.9 33 30 A R E -D 25 0A 121 -8,-1.6 -8,-2.8 348,-0.1 2,-0.5 -0.998 45.5-155.5-152.9 144.9 5.0 22.5 -8.7 34 31 A I E -D 24 0A 45 -2,-0.3 2,-0.6 -10,-0.2 -10,-0.2 -0.997 20.0-164.2-116.3 125.7 5.6 18.7 -8.4 35 32 A I E -D 23 0A 26 -12,-3.2 -12,-2.6 -2,-0.5 -25,-0.2 -0.928 12.8-140.9-117.7 105.3 5.6 17.1 -11.8 36 33 A E E +D 22 0A 156 -2,-0.6 -14,-0.3 -14,-0.2 2,-0.2 -0.336 59.8 18.0 -65.8 143.6 5.3 13.3 -11.7 37 34 A G S S- 0 0 30 -16,-2.7 2,-0.6 2,-0.1 -27,-0.2 -0.482 100.7 -44.4 103.4-167.1 7.3 11.1 -14.1 38 35 A E - 0 0 162 -2,-0.2 -2,-0.1 -17,-0.1 3,-0.1 -0.924 52.3-133.7-105.7 115.3 10.3 11.6 -16.3 39 36 A L - 0 0 11 -2,-0.6 -2,-0.1 -4,-0.1 -17,-0.0 -0.504 34.1-106.8 -62.5 133.3 10.4 14.9 -18.3 40 37 A P > - 0 0 87 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.143 38.1 -92.5 -58.1 162.1 11.4 14.2 -21.9 41 38 A A T 3 S+ 0 0 99 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.806 121.5 39.4 -43.4 -50.2 14.8 15.2 -23.1 42 39 A D T 3 S+ 0 0 156 2,-0.0 2,-0.6 1,-0.0 -1,-0.3 0.505 93.9 100.7 -84.7 -5.9 14.0 18.6 -24.4 43 40 A D < + 0 0 68 -3,-1.6 -4,-0.0 1,-0.1 -1,-0.0 -0.751 24.3 151.2-104.4 112.7 11.6 19.7 -21.7 44 41 A N > - 0 0 59 -2,-0.6 3,-2.1 3,-0.1 -1,-0.1 0.154 57.2-121.3-118.0 13.2 12.6 22.1 -18.9 45 42 A L T 3 - 0 0 33 1,-0.3 -2,-0.1 2,-0.0 -6,-0.0 0.761 66.5 -68.2 53.0 31.2 9.2 23.7 -18.2 46 43 A S T 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.0 -41,-0.1 0.785 82.8 173.0 55.8 33.1 10.7 27.1 -19.0 47 44 A A < - 0 0 22 -3,-2.1 -41,-0.2 1,-0.1 -1,-0.2 -0.308 37.5-139.9 -61.4 149.5 12.9 27.0 -15.9 48 45 A D S S+ 0 0 96 -43,-2.0 2,-0.3 1,-0.3 -42,-0.2 0.796 91.7 15.1 -75.9 -31.8 15.5 29.8 -15.4 49 46 A E E S-b 6 0A 92 -44,-1.8 -42,-2.8 -5,-0.1 2,-0.4 -0.996 71.5-154.8-145.0 143.2 17.9 27.2 -14.1 50 47 A V E -b 7 0A 48 -2,-0.3 2,-0.5 -44,-0.2 -42,-0.2 -0.973 4.8-165.9-123.3 134.2 17.9 23.4 -14.2 51 48 A I E -b 8 0A 13 -44,-3.1 -42,-2.7 -2,-0.4 2,-0.6 -0.985 24.4-135.5-111.8 118.1 19.6 20.9 -11.9 52 49 A E E +b 9 0A 109 -2,-0.5 -42,-0.1 -44,-0.2 -44,-0.1 -0.642 27.5 175.6 -72.8 116.9 19.7 17.5 -13.4 53 50 A C > + 0 0 0 -44,-2.8 3,-2.7 -2,-0.6 -41,-0.3 0.212 21.5 141.8-110.6 12.1 18.7 15.0 -10.7 54 51 A S T 3 S+ 0 0 98 1,-0.3 -43,-0.2 -45,-0.3 3,-0.1 -0.364 79.3 18.7 -55.5 128.7 18.6 11.7 -12.5 55 52 A G T 3 S+ 0 0 52 -45,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.324 106.7 107.3 91.4 -9.5 20.0 9.1 -10.1 56 53 A L < - 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