==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE SUBSTRATE 08-FEB-13 4J5H . COMPND 2 MOLECULE: N-ACYL HOMOSERINE LACTONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS; . AUTHOR C.F.LIU,D.LIU,J.MOMB,P.W.THOMAS,A.LAJOIE,G.A.PETSKO,W.FAST,D . 251 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 16.3 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 132 0, 0.0 2,-0.3 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0 142.2 11.1 10.5 4.0 2 2 A T - 0 0 53 158,-0.1 41,-0.3 176,-0.1 2,-0.3 -0.860 360.0 -98.2-123.0 157.6 8.4 8.2 2.4 3 3 A V B -a 180 0A 0 176,-3.1 178,-2.8 -2,-0.3 179,-0.3 -0.579 28.1-144.8 -68.1 134.9 7.4 4.6 2.6 4 4 A K S S+ 0 0 84 37,-1.8 2,-0.3 1,-0.3 178,-0.3 0.913 77.6 4.5 -71.6 -44.0 8.9 2.6 -0.3 5 5 A K E -F 41 0B 68 36,-1.4 36,-2.7 176,-0.1 2,-0.5 -0.993 54.5-161.0-145.6 139.0 5.9 0.3 -0.7 6 6 A L E -F 40 0B 0 244,-2.1 244,-2.4 -2,-0.3 2,-0.4 -0.974 20.9-165.6-118.8 111.3 2.4 -0.0 0.7 7 7 A Y E -F 39 0B 21 32,-3.0 32,-2.1 -2,-0.5 2,-0.6 -0.853 15.4-148.5-100.1 136.0 0.9 -3.5 0.1 8 8 A F E -F 38 0B 4 -2,-0.4 238,-2.5 240,-0.4 30,-0.2 -0.889 22.6-167.4 -95.0 117.9 -2.7 -4.5 0.5 9 9 A I E -F 37 0B 8 28,-2.9 28,-2.0 -2,-0.6 2,-0.1 -0.916 17.8-133.8-117.0 111.3 -2.7 -8.1 1.6 10 10 A P E -F 36 0B 60 0, 0.0 26,-0.2 0, 0.0 3,-0.1 -0.401 22.6-178.0 -58.9 133.3 -5.9 -10.2 1.6 11 11 A A E - 0 0 0 24,-2.7 42,-0.4 1,-0.6 2,-0.1 -0.233 53.1 -73.2-130.7 41.8 -6.1 -12.1 4.9 12 12 A G E - 0 0 11 23,-0.1 23,-2.3 40,-0.1 -1,-0.6 -0.464 55.4 -99.0 91.8-171.8 -9.3 -14.1 4.5 13 13 A R E -FG 34 76B 68 63,-2.3 63,-2.8 21,-0.2 2,-0.3 -0.834 20.0-149.5-140.8 171.3 -12.9 -12.9 4.6 14 14 A C E -FG 33 75B 0 19,-2.2 19,-2.8 -2,-0.3 2,-0.4 -0.970 16.9-128.1-151.1 141.5 -15.9 -12.8 6.9 15 15 A M E +FG 32 74B 31 59,-3.0 59,-2.1 -2,-0.3 2,-0.4 -0.738 33.4 176.9 -84.6 134.6 -19.6 -12.8 6.5 16 16 A L E -FG 31 73B 4 15,-2.1 15,-2.5 -2,-0.4 57,-0.2 -1.000 35.8-105.9-139.7 134.8 -21.3 -9.9 8.2 17 17 A D E > -F 30 0B 12 55,-1.9 3,-2.3 -2,-0.4 4,-0.4 -0.331 31.5-124.2 -57.4 140.6 -25.0 -9.0 8.3 18 18 A H G >> S+ 0 0 35 11,-3.0 4,-1.4 1,-0.3 3,-1.3 0.735 106.1 72.8 -66.0 -17.0 -25.6 -6.0 6.0 19 19 A S G 34 S+ 0 0 23 1,-0.3 -1,-0.3 10,-0.2 6,-0.1 0.686 89.6 62.1 -69.3 -16.9 -27.1 -4.1 9.0 20 20 A S G <4 S+ 0 0 18 -3,-2.3 186,-2.5 1,-0.2 -1,-0.3 0.690 107.8 41.4 -80.0 -16.8 -23.6 -3.8 10.4 21 21 A V T <4 S+ 0 0 11 -3,-1.3 2,-0.3 -4,-0.4 -2,-0.2 0.632 133.2 21.6-101.9 -17.0 -22.4 -1.8 7.3 22 22 A N >< - 0 0 25 -4,-1.4 3,-2.2 3,-0.1 -1,-0.3 -0.808 69.5-158.8-149.8 102.4 -25.6 0.3 7.2 23 23 A S T 3 S+ 0 0 64 181,-2.0 182,-0.1 -2,-0.3 -4,-0.1 0.644 90.1 63.3 -56.5 -19.5 -27.5 0.5 10.4 24 24 A A T 3 S+ 0 0 83 180,-0.3 -1,-0.3 2,-0.1 -5,-0.1 0.683 83.0 99.4 -78.6 -19.8 -30.7 1.4 8.5 25 25 A L S < S- 0 0 66 -3,-2.2 -3,-0.1 -7,-0.2 -6,-0.0 -0.325 82.2-109.2 -74.0 148.1 -30.9 -1.9 6.6 26 26 A T - 0 0 115 1,-0.1 3,-0.3 -8,-0.0 -8,-0.1 -0.636 39.7-114.8 -71.3 126.4 -33.2 -4.7 7.7 27 27 A P S S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.347 83.1 81.6 -59.7 144.2 -31.1 -7.6 9.0 28 28 A G + 0 0 63 1,-0.3 2,-0.4 44,-0.1 -11,-0.0 0.398 65.9 86.2 137.0 0.9 -31.1 -10.9 7.0 29 29 A K - 0 0 146 -3,-0.3 -11,-3.0 2,-0.0 -1,-0.3 -0.991 61.6-150.3-121.1 124.1 -28.6 -10.6 4.2 30 30 A L E -F 17 0B 70 -2,-0.4 2,-0.4 -13,-0.3 -13,-0.2 -0.670 4.3-149.8 -85.7 150.2 -25.1 -11.4 4.8 31 31 A L E -F 16 0B 49 -15,-2.5 -15,-2.1 -2,-0.3 2,-1.1 -0.963 13.7-134.3-119.5 133.3 -22.2 -9.8 3.0 32 32 A N E -F 15 0B 59 -2,-0.4 -17,-0.2 -17,-0.2 -15,-0.0 -0.743 37.9-172.5 -89.2 97.0 -18.9 -11.6 2.2 33 33 A L E -F 14 0B 3 -19,-2.8 -19,-2.2 -2,-1.1 2,-0.2 -0.631 22.3-110.9-100.0 149.8 -16.4 -8.9 3.2 34 34 A P E -F 13 0B 2 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.510 18.2-150.0 -76.5 145.5 -12.7 -8.7 2.8 35 35 A V E - 0 0 1 -23,-2.3 -24,-2.7 -2,-0.2 2,-0.4 -0.964 25.5-163.8-108.1 131.2 -10.3 -8.8 5.8 36 36 A W E -F 10 0B 11 -2,-0.4 16,-0.3 198,-0.3 2,-0.3 -0.880 23.2-175.9-118.5 145.0 -7.1 -6.9 5.2 37 37 A C E -F 9 0B 0 -28,-2.0 -28,-2.9 -2,-0.4 2,-0.4 -0.916 19.7-145.8-121.6 164.3 -3.7 -6.5 6.5 38 38 A Y E -FH 8 49B 3 11,-2.2 11,-3.1 -2,-0.3 2,-0.5 -0.978 3.4-155.4-129.0 139.1 -1.2 -4.0 5.2 39 39 A L E -FH 7 48B 0 -32,-2.1 -32,-3.0 -2,-0.4 2,-0.6 -0.974 6.7-162.3-118.8 126.7 2.5 -4.3 4.8 40 40 A L E -FH 6 47B 0 7,-2.9 7,-2.3 -2,-0.5 2,-0.7 -0.932 5.8-155.8-109.2 117.2 4.7 -1.1 4.8 41 41 A E E +FH 5 46B 36 -36,-2.7 -37,-1.8 -2,-0.6 -36,-1.4 -0.868 28.2 170.5 -92.8 116.1 8.2 -1.5 3.4 42 42 A T E > - H 0 45B 5 3,-0.9 3,-1.4 -2,-0.7 -39,-0.1 -0.836 50.6-106.6-123.7 163.8 10.2 1.4 5.0 43 43 A E T 3 S+ 0 0 123 -41,-0.3 -40,-0.1 -2,-0.3 -1,-0.1 0.811 123.4 51.3 -58.7 -30.7 13.8 2.4 5.2 44 44 A E T 3 S- 0 0 80 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.563 126.5 -84.8 -83.6 -12.1 13.8 1.3 8.9 45 45 A G E < -H 42 0B 19 -3,-1.4 -3,-0.9 2,-0.0 -1,-0.3 -0.701 62.0 -37.8 131.3 179.5 12.2 -2.1 8.0 46 46 A P E -H 41 0B 15 0, 0.0 52,-3.3 0, 0.0 53,-0.7 -0.555 47.2-163.9 -83.2 139.4 8.9 -3.8 7.4 47 47 A I E -Hi 40 99B 0 -7,-2.3 -7,-2.9 -2,-0.2 2,-0.5 -0.985 6.6-150.4-123.0 130.7 5.8 -2.8 9.4 48 48 A L E -Hi 39 100B 1 51,-2.1 53,-2.8 -2,-0.4 2,-0.7 -0.878 2.1-155.1-106.4 127.3 2.7 -4.9 9.5 49 49 A V E -Hi 38 101B 0 -11,-3.1 -11,-2.2 -2,-0.5 53,-0.2 -0.916 66.9 -15.9-104.7 113.4 -0.7 -3.2 10.0 50 50 A D - 0 0 1 51,-2.5 -12,-0.2 -2,-0.7 60,-0.2 0.267 60.9-129.1 67.7 161.2 -3.1 -5.7 11.6 51 51 A T - 0 0 0 58,-2.4 32,-0.4 1,-0.3 59,-0.2 0.191 34.6-127.3-134.1 15.0 -2.8 -9.5 11.8 52 52 A G - 0 0 1 -16,-0.3 59,-1.7 56,-0.3 60,-0.6 -0.249 51.5 -21.8 72.4-155.4 -6.0 -11.1 10.5 53 53 A M - 0 0 5 -42,-0.4 30,-0.4 28,-0.3 55,-0.2 -0.510 66.6 -98.9 -98.8 157.9 -8.2 -13.7 12.2 54 54 A P > - 0 0 1 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.313 32.5-110.7 -77.0 160.5 -7.4 -16.2 15.0 55 55 A E G > S+ 0 0 114 56,-0.4 3,-1.7 1,-0.3 57,-0.1 0.798 115.2 69.2 -59.4 -28.4 -6.5 -19.9 14.4 56 56 A S G 3 S+ 0 0 26 1,-0.3 -1,-0.3 3,-0.0 7,-0.0 0.677 93.1 59.0 -63.7 -19.0 -9.9 -20.8 16.0 57 57 A A G X S+ 0 0 0 -3,-2.2 3,-1.6 2,-0.1 20,-0.5 0.567 76.2 116.4 -82.4 -11.8 -11.6 -19.3 12.9 58 58 A V B < S-l 77 0C 20 -3,-1.7 20,-0.2 -4,-0.3 21,-0.0 -0.426 99.6 -15.7 -65.9 121.3 -9.8 -21.6 10.4 59 59 A N T 3 S+ 0 0 124 18,-3.1 -1,-0.3 -2,-0.2 19,-0.1 0.867 113.6 114.2 53.5 39.2 -12.4 -23.8 8.7 60 60 A N X + 0 0 63 -3,-1.6 3,-1.9 17,-0.3 -1,-0.1 -0.532 29.1 162.8-143.1 69.5 -14.8 -22.8 11.4 61 61 A E T 3 S+ 0 0 93 1,-0.3 3,-0.4 13,-0.2 -1,-0.1 0.768 79.8 60.5 -58.6 -27.2 -17.7 -20.7 10.1 62 62 A G T > + 0 0 24 1,-0.2 3,-2.6 12,-0.1 -1,-0.3 0.212 64.7 121.6 -88.3 16.5 -19.5 -21.4 13.3 63 63 A L T < S+ 0 0 35 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.820 77.3 46.4 -44.2 -42.7 -16.9 -19.8 15.6 64 64 A F T > S+ 0 0 7 -3,-0.4 3,-1.8 9,-0.4 -1,-0.3 0.267 78.5 129.7 -95.4 13.8 -19.5 -17.4 17.0 65 65 A N T < S+ 0 0 102 -3,-2.6 3,-0.1 1,-0.2 -3,-0.0 -0.449 74.3 25.9 -62.4 136.7 -22.2 -20.0 17.6 66 66 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.2 -2,-0.1 2,-0.2 0.427 106.5 98.9 87.6 1.1 -23.5 -19.6 21.2 67 67 A T S X S- 0 0 54 -3,-1.8 3,-1.9 1,-0.0 -1,-0.3 -0.616 92.5 -93.5-115.9 173.9 -22.5 -15.9 21.4 68 68 A F T 3 S+ 0 0 105 1,-0.3 -3,-0.1 -2,-0.2 68,-0.0 0.589 124.9 48.6 -67.2 -10.0 -24.3 -12.6 21.1 69 69 A V T >> S+ 0 0 8 -5,-0.3 3,-2.6 4,-0.1 4,-1.2 0.204 75.7 149.4-113.6 14.6 -23.3 -12.5 17.4 70 70 A E T <4 S+ 0 0 108 -3,-1.9 -5,-0.1 1,-0.3 4,-0.1 -0.210 77.1 7.2 -47.2 129.4 -24.4 -16.0 16.4 71 71 A G T 34 S+ 0 0 48 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.306 118.3 79.0 78.3 -9.9 -25.5 -16.0 12.7 72 72 A Q T <4 S+ 0 0 78 -3,-2.6 -55,-1.9 1,-0.3 2,-0.4 0.695 97.0 33.4-101.4 -25.2 -24.4 -12.4 12.2 73 73 A I E < +G 16 0B 8 -4,-1.2 -9,-0.4 -57,-0.2 -2,-0.3 -0.990 63.0 173.5-135.6 122.4 -20.6 -12.9 11.8 74 74 A L E -G 15 0B 39 -59,-2.1 -59,-3.0 -2,-0.4 -13,-0.2 -0.964 27.4-132.1-132.5 114.3 -19.1 -16.0 10.2 75 75 A P E -G 14 0B 1 0, 0.0 2,-0.5 0, 0.0 -61,-0.3 -0.407 10.4-161.0 -62.6 142.8 -15.3 -16.3 9.5 76 76 A K E +G 13 0B 72 -63,-2.8 -63,-2.3 -17,-0.1 2,-0.4 -0.809 39.7 140.5-122.2 85.1 -14.3 -17.4 6.0 77 77 A M B -l 58 0C 6 -20,-0.5 -18,-3.1 -2,-0.5 -17,-0.3 -0.988 30.9-170.1-137.6 133.4 -10.7 -18.4 6.7 78 78 A T > - 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0 0 44 -5,-2.7 -1,-0.4 -8,-0.1 -2,-0.1 -0.953 49.6-150.2-132.2 155.6 9.0 -12.8 6.1 93 93 A E > - 0 0 110 -2,-0.3 3,-2.3 -5,-0.1 4,-0.4 -0.796 42.4-102.3-109.5 157.3 9.0 -14.5 9.5 94 94 A P G > S+ 0 0 24 0, 0.0 3,-1.7 0, 0.0 22,-0.1 0.871 120.0 56.9 -50.9 -41.2 7.5 -12.7 12.5 95 95 A D G 3 S+ 0 0 107 1,-0.3 21,-0.0 23,-0.1 -3,-0.0 0.581 94.6 70.0 -72.6 -6.1 10.8 -11.7 14.0 96 96 A D G < S+ 0 0 84 -3,-2.3 -1,-0.3 23,-0.0 2,-0.1 0.676 79.3 100.3 -74.8 -20.8 11.7 -9.8 10.7 97 97 A L < - 0 0 10 -3,-1.7 -50,-0.2 -4,-0.4 3,-0.1 -0.442 60.5-155.8 -78.6 140.8 9.1 -7.2 11.4 98 98 A L S S- 0 0 54 -52,-3.3 2,-0.3 1,-0.3 -51,-0.2 0.928 76.7 -10.6 -72.3 -53.0 10.0 -3.8 12.8 99 99 A Y E -i 47 0B 48 -53,-0.7 -51,-2.1 20,-0.1 2,-0.4 -0.980 53.8-139.8-141.2 157.7 6.6 -3.1 14.3 100 100 A I E -ij 48 121B 0 20,-2.5 22,-3.3 -2,-0.3 2,-0.5 -0.955 20.5-156.6-107.0 136.9 3.1 -4.4 14.4 101 101 A I E -ij 49 122B 0 -53,-2.8 -51,-2.5 -2,-0.4 2,-0.8 -0.979 1.2-158.4-112.4 120.0 0.4 -1.7 14.3 102 102 A S - 0 0 1 20,-2.8 22,-0.4 -2,-0.5 3,-0.1 -0.878 7.0-165.4 -96.4 110.5 -2.9 -2.7 15.7 103 103 A S S S- 0 0 1 -2,-0.8 71,-2.0 1,-0.3 2,-0.3 0.916 77.8 -35.0 -55.0 -41.3 -5.7 -0.4 14.3 104 104 A H - 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