==== 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 ISOMERASE 28-JAN-08 3C3K . COMPND 2 MOLECULE: ALANINE RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOBACILLUS SUCCINOGENES; . AUTHOR V.N.MALASHKEVICH,R.TORO,A.J.MEYER,J.M.SAUDER,S.K.BURLEY,S.C. . 539 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21362.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.9 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 . 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 . 42 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.2 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 2 2 0 0 0 2 2 2 1 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 8 5 0 1 1 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 . 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 0 0 0 0 0 0 1 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 7 A K 0 0 217 0, 0.0 59,-0.0 0, 0.0 58,-0.0 0.000 360.0 360.0 360.0 -26.8 33.3 52.3 52.9 2 8 A T - 0 0 53 2,-0.2 3,-0.1 1,-0.0 57,-0.0 0.730 360.0-136.7 -91.2 -25.1 31.8 52.5 56.4 3 9 A G + 0 0 25 1,-0.2 31,-2.2 30,-0.1 2,-0.4 0.622 68.5 109.8 79.9 12.9 34.0 50.0 58.2 4 10 A M E -a 34 0A 10 29,-0.2 56,-2.5 54,-0.1 57,-0.6 -0.967 48.3-165.2-123.2 136.2 31.0 48.5 59.9 5 11 A L E -ab 35 61A 0 29,-2.7 31,-2.8 -2,-0.4 2,-0.5 -0.912 16.4-135.8-113.5 145.4 29.3 45.1 59.6 6 12 A L E -ab 36 62A 0 55,-2.5 57,-2.5 -2,-0.4 2,-0.5 -0.872 16.4-165.8 -96.6 132.9 25.8 44.2 60.8 7 13 A V E -ab 37 63A 0 29,-3.0 31,-2.6 -2,-0.5 2,-0.7 -0.964 6.0-159.2-114.9 116.3 25.4 40.8 62.6 8 14 A M E -ab 38 64A 0 55,-3.3 57,-1.7 -2,-0.5 2,-0.3 -0.850 16.1-164.5 -93.8 117.8 21.9 39.4 63.1 9 15 A V E -a 39 0A 0 29,-2.4 31,-1.6 -2,-0.7 32,-1.1 -0.742 20.0-145.8-102.2 141.8 22.1 36.8 65.9 10 16 A S S S- 0 0 8 -2,-0.3 2,-0.2 1,-0.2 31,-0.2 0.916 86.7 -7.6 -71.3 -39.8 19.4 34.3 66.6 11 17 A N > - 0 0 34 3,-0.1 3,-2.3 30,-0.1 6,-0.4 -0.714 51.3-165.2-163.1 99.5 19.9 34.2 70.4 12 18 A I T 3 S+ 0 0 12 1,-0.3 6,-0.2 -3,-0.2 275,-0.1 0.733 95.9 61.4 -59.0 -23.2 22.8 35.9 72.3 13 19 A A T 3 S+ 0 0 59 274,-0.1 -1,-0.3 4,-0.1 3,-0.1 0.525 84.3 92.0 -80.2 -6.1 21.9 33.8 75.3 14 20 A N S X> S- 0 0 12 -3,-2.3 4,-1.7 1,-0.2 3,-0.6 -0.783 74.5-147.3 -86.5 120.8 22.7 30.7 73.2 15 21 A P H 3> S+ 0 0 48 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.795 97.0 62.7 -64.3 -22.5 26.4 29.9 73.8 16 22 A F H 3> S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.953 103.9 48.7 -56.8 -48.6 26.7 28.6 70.3 17 23 A C H <> S+ 0 0 0 -3,-0.6 4,-3.1 -6,-0.4 5,-0.2 0.909 108.3 53.3 -56.2 -45.4 25.9 32.2 69.0 18 24 A A H X S+ 0 0 15 -4,-1.7 4,-2.0 -7,-0.2 -1,-0.2 0.909 110.5 46.4 -60.7 -42.6 28.4 33.7 71.4 19 25 A A H X S+ 0 0 35 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.888 113.9 48.5 -70.1 -35.5 31.2 31.5 70.0 20 26 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.946 111.2 50.1 -67.7 -43.8 30.2 32.1 66.4 21 27 A V H X S+ 0 0 2 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.890 106.5 56.2 -61.2 -39.9 30.1 36.0 67.1 22 28 A K H X S+ 0 0 106 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.934 109.4 46.4 -56.7 -45.1 33.6 35.8 68.7 23 29 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.863 112.7 49.3 -67.6 -40.2 34.8 34.2 65.4 24 30 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.932 110.7 49.6 -60.0 -49.4 33.1 36.8 63.4 25 31 A E H X S+ 0 0 16 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.860 109.4 54.4 -60.4 -38.4 34.5 39.7 65.5 26 32 A K H X S+ 0 0 86 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.964 112.9 38.9 -59.9 -51.1 37.9 38.3 65.1 27 33 A T H X S+ 0 0 9 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.909 114.8 53.6 -71.2 -41.3 38.0 38.1 61.4 28 34 A A H ><>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 3,-1.3 0.940 112.5 44.4 -53.2 -47.6 36.1 41.5 60.9 29 35 A E H ><5S+ 0 0 55 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.701 106.6 59.4 -77.2 -16.7 38.7 43.3 63.1 30 36 A K H 3<5S+ 0 0 137 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.648 111.4 43.9 -77.1 -14.5 41.6 41.5 61.4 31 37 A N T <<5S- 0 0 83 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.039 126.7 -95.1-121.3 16.5 40.2 43.1 58.2 32 38 A G T < 5S+ 0 0 64 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.711 83.9 123.0 76.4 23.0 39.6 46.6 59.5 33 39 A Y < - 0 0 19 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.855 45.7-152.4-112.1 154.9 35.9 46.2 60.3 34 40 A R E -a 4 0A 75 -31,-2.2 -29,-2.7 -2,-0.3 2,-0.4 -0.863 20.9-129.9-115.8 160.3 33.9 46.7 63.5 35 41 A I E -a 5 0A 13 -2,-0.3 2,-0.4 -31,-0.2 273,-0.3 -0.866 14.4-165.0-120.7 136.7 30.7 44.8 64.2 36 42 A L E -a 6 0A 1 -31,-2.8 -29,-3.0 -2,-0.4 2,-0.4 -0.963 19.8-150.8-112.2 141.6 27.2 45.8 65.4 37 43 A L E -aC 7 306A 1 269,-2.6 269,-3.3 -2,-0.4 2,-0.4 -0.868 12.6-164.6-116.0 145.0 24.8 43.0 66.6 38 44 A C E -a 8 0A 4 -31,-2.6 -29,-2.4 -2,-0.4 2,-1.7 -0.987 16.2-146.7-119.8 120.4 21.1 42.7 66.6 39 45 A N E +a 9 0A 9 -2,-0.4 -29,-0.2 265,-0.3 265,-0.1 -0.620 36.6 161.2 -76.7 85.7 19.6 40.0 68.9 40 46 A T > - 0 0 0 -2,-1.7 3,-1.4 -31,-1.6 6,-0.3 0.794 33.1-154.1 -79.5 -28.2 16.7 39.3 66.4 41 47 A E T 3 S- 0 0 85 -32,-1.1 -31,-0.2 1,-0.2 3,-0.1 0.817 71.4 -68.5 41.5 41.0 15.6 35.9 67.6 42 48 A S T 3 S+ 0 0 25 -33,-0.3 2,-0.7 1,-0.2 -1,-0.2 0.818 96.7 145.6 52.5 39.7 14.5 35.5 64.0 43 49 A D X> - 0 0 66 -3,-1.4 4,-2.0 1,-0.1 3,-1.7 -0.908 41.9-155.3-110.1 105.4 11.8 38.2 64.6 44 50 A L H 3> S+ 0 0 42 -2,-0.7 4,-2.8 1,-0.3 5,-0.2 0.729 91.4 67.8 -58.6 -27.6 11.4 40.1 61.3 45 51 A A H 3> S+ 0 0 42 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.908 107.7 38.3 -57.0 -43.7 10.1 43.1 63.3 46 52 A R H <> S+ 0 0 19 -3,-1.7 4,-2.6 -6,-0.3 5,-0.3 0.871 115.0 54.7 -71.5 -40.8 13.6 43.5 64.8 47 53 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.926 105.0 52.0 -57.4 -43.0 15.3 42.6 61.6 48 54 A R H < S+ 0 0 122 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.855 111.7 49.2 -64.0 -32.5 13.4 45.3 59.6 49 55 A S H >< S+ 0 0 15 -4,-0.9 3,-1.7 -5,-0.2 -2,-0.2 0.969 113.5 42.1 -70.9 -55.2 14.5 47.8 62.2 50 56 A C H >< S+ 0 0 1 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.822 105.2 66.0 -68.6 -24.5 18.2 46.9 62.3 51 57 A L T >X S+ 0 0 5 -4,-2.4 3,-2.3 -5,-0.3 4,-0.9 0.656 75.5 84.8 -73.0 -6.4 18.3 46.6 58.5 52 58 A T H <> S+ 0 0 60 -3,-1.7 4,-1.8 -4,-0.3 -1,-0.3 0.614 75.9 75.7 -68.2 -7.2 17.6 50.3 58.2 53 59 A L H <4>S+ 0 0 0 -3,-1.7 5,-2.2 2,-0.2 6,-1.1 0.674 90.3 54.3 -69.1 -21.2 21.4 50.4 58.6 54 60 A L H X45S+ 0 0 24 -3,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.933 115.9 35.2 -74.1 -50.5 21.8 49.3 55.0 55 61 A S H 3<5S+ 0 0 93 -4,-0.9 -2,-0.2 1,-0.3 -3,-0.1 0.818 112.7 60.4 -76.4 -30.8 19.7 52.0 53.6 56 62 A G T 3<5S- 0 0 34 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.559 110.1-128.2 -67.6 -7.9 21.0 54.4 56.2 57 63 A K T < 5S+ 0 0 160 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.1 0.764 72.5 125.1 65.7 28.9 24.4 53.7 54.6 58 64 A M < + 0 0 36 -5,-2.2 2,-0.3 -6,-0.1 -4,-0.2 0.555 64.0 40.8 -96.1 -11.6 25.9 52.8 58.0 59 65 A V - 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