==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 19-DEC-11 2LN7 . COMPND 2 MOLECULE: LPXTG-SITE TRANSPEPTIDASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR S.A.ROBSON,E.M.WEINER,R.T.CLUBB . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 32.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 2 1.4 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 . 1 0.7 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 . 23 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 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 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 0 3 0 0 0 0 0 0 1 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 0 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 1 A G 0 0 135 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 31.7 43.2 -1.7 2.7 2 2 A S + 0 0 106 1,-0.1 0, 0.0 3,-0.0 0, 0.0 0.247 360.0 107.1-108.9 9.5 39.4 -1.5 2.2 3 3 A H + 0 0 182 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.876 68.0 74.3 -54.7 -39.2 39.6 -1.8 -1.6 4 4 A M - 0 0 168 -3,-0.2 2,-0.3 2,-0.0 0, 0.0 -0.549 69.0-168.6 -79.0 141.1 38.1 -5.3 -1.2 5 5 A S - 0 0 118 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.925 10.2-147.1-130.2 155.0 34.4 -5.6 -0.4 6 6 A S + 0 0 66 -2,-0.3 2,-0.2 3,-0.0 5,-0.0 -0.966 17.7 169.1-125.5 139.8 32.2 -8.5 0.7 7 7 A Q + 0 0 149 -2,-0.4 3,-0.1 3,-0.0 -2,-0.0 -0.703 60.5 51.9-151.7 93.6 28.5 -9.1 -0.1 8 8 A T S S+ 0 0 141 1,-0.6 2,-0.3 -2,-0.2 3,-0.0 0.081 87.0 75.2 172.9 -37.9 26.9 -12.4 0.7 9 9 A E S S- 0 0 121 1,-0.1 -1,-0.6 0, 0.0 2,-0.1 -0.668 100.6 -75.7 -97.8 153.4 27.6 -13.2 4.4 10 10 A H + 0 0 134 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.235 67.6 166.1 -48.4 110.0 25.9 -11.6 7.4 11 11 A K > - 0 0 104 -2,-0.1 3,-1.4 22,-0.0 21,-0.4 -0.987 41.9 -99.5-134.4 143.2 27.6 -8.2 7.5 12 12 A E T 3 S+ 0 0 92 -2,-0.4 21,-0.2 1,-0.3 3,-0.1 -0.314 109.5 29.9 -59.9 137.9 26.7 -5.1 9.4 13 13 A G T 3 S+ 0 0 23 19,-3.5 2,-0.4 1,-0.3 -1,-0.3 0.552 97.8 115.2 88.3 9.2 24.9 -2.5 7.2 14 14 A E S < S- 0 0 69 -3,-1.4 18,-3.2 18,-0.4 2,-0.6 -0.909 76.0-107.6-115.5 141.3 23.4 -5.2 5.1 15 15 A K E +A 31 0A 116 -2,-0.4 16,-0.2 16,-0.3 3,-0.1 -0.511 51.7 151.7 -67.8 113.6 19.7 -6.1 4.8 16 16 A V E + 0 0 35 14,-1.3 71,-0.5 -2,-0.6 2,-0.3 0.713 63.3 13.3-111.8 -37.2 19.2 -9.3 6.7 17 17 A A E -A 30 0A 5 13,-1.8 13,-1.7 69,-0.1 2,-0.4 -0.960 64.7-134.6-141.4 158.3 15.6 -9.1 7.9 18 18 A M E -AB 29 85A 42 67,-1.4 67,-2.6 -2,-0.3 2,-0.6 -0.936 12.4-142.7-118.1 138.4 12.5 -7.0 7.2 19 19 A L E -AB 28 84A 19 9,-3.5 9,-4.0 -2,-0.4 2,-0.4 -0.874 21.3-177.6-102.4 121.9 10.2 -5.5 9.8 20 20 A N E -AB 27 83A 47 63,-3.8 63,-3.1 -2,-0.6 7,-0.3 -0.963 14.3-154.6-122.5 135.3 6.5 -5.5 8.9 21 21 A I E > -A 26 0A 2 5,-4.4 5,-0.8 -2,-0.4 61,-0.1 -0.927 8.3-175.7-110.8 118.0 3.6 -4.1 11.0 22 22 A P T 5S+ 0 0 55 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.930 85.2 47.7 -75.6 -48.5 0.1 -5.5 10.4 23 23 A K T 5S+ 0 0 104 58,-0.3 52,-0.1 1,-0.2 59,-0.1 0.917 127.4 28.6 -60.2 -44.9 -1.9 -3.3 12.7 24 24 A L T 5S- 0 0 31 57,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.377 100.0-136.7 -96.5 3.0 -0.2 -0.2 11.3 25 25 A K T 5 + 0 0 165 -3,-0.2 2,-0.4 1,-0.2 -2,-0.1 0.844 56.9 142.7 43.4 39.0 0.3 -1.9 7.9 26 26 A K E < -A 21 0A 79 -5,-0.8 -5,-4.4 2,-0.0 2,-0.4 -0.862 36.1-159.2-112.2 145.1 3.8 -0.3 8.0 27 27 A K E -A 20 0A 129 -2,-0.4 2,-0.3 -7,-0.3 -7,-0.3 -0.952 7.8-176.5-125.4 144.1 7.0 -1.9 6.8 28 28 A F E -A 19 0A 84 -9,-4.0 -9,-3.5 -2,-0.4 2,-0.6 -0.999 26.5-122.5-140.2 141.9 10.6 -1.1 7.6 29 29 A S E -A 18 0A 42 -2,-0.3 2,-0.6 -11,-0.2 14,-0.5 -0.728 24.8-157.9 -86.7 121.2 14.0 -2.5 6.4 30 30 A I E -A 17 0A 5 -13,-1.7 -13,-1.8 -2,-0.6 -14,-1.3 -0.880 8.6-166.8-103.6 120.7 16.1 -4.0 9.1 31 31 A Y E -Ac 15 44A 64 12,-1.7 14,-2.9 -2,-0.6 -16,-0.3 -0.776 34.0 -91.4-106.2 150.3 19.8 -4.2 8.4 32 32 A W E S+ c 0 45A 30 -18,-3.2 -19,-3.5 -21,-0.4 -18,-0.4 -0.363 95.7 3.1 -60.1 128.6 22.4 -6.2 10.4 33 33 A G B S-D 45 0A 5 12,-0.9 12,-0.8 -21,-0.2 2,-0.3 0.160 75.6-115.5 77.3 160.5 23.9 -3.9 13.1 34 34 A A - 0 0 38 10,-0.3 2,-0.7 13,-0.1 -1,-0.1 -0.722 24.7-168.1-137.3 86.1 23.0 -0.4 13.9 35 35 A D - 0 0 81 -2,-0.3 6,-0.2 1,-0.2 3,-0.2 -0.643 7.6-178.8 -78.4 113.4 25.8 2.2 13.3 36 36 A D S S+ 0 0 72 -2,-0.7 -1,-0.2 1,-0.2 93,-0.1 0.650 73.3 76.7 -84.5 -16.6 24.8 5.5 14.8 37 37 A A S S+ 0 0 101 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.904 99.5 43.3 -59.9 -41.8 28.0 7.1 13.6 38 38 A T - 0 0 33 -3,-0.2 3,-0.3 1,-0.1 -1,-0.1 -0.871 66.3-154.8-109.7 140.3 26.5 7.3 10.1 39 39 A L + 0 0 134 -2,-0.4 -1,-0.1 1,-0.2 -3,-0.1 0.228 69.4 106.1 -93.6 13.0 22.9 8.4 9.3 40 40 A K S S+ 0 0 177 -5,-0.1 -1,-0.2 2,-0.0 2,-0.0 0.968 76.0 47.8 -55.4 -58.4 23.1 6.4 6.0 41 41 A K - 0 0 69 -3,-0.3 3,-0.1 -6,-0.2 -7,-0.0 -0.279 67.2-155.5 -79.9 169.2 20.8 3.6 7.2 42 42 A G S S+ 0 0 44 1,-0.4 2,-0.4 -13,-0.2 23,-0.2 0.774 75.7 22.3-110.5 -53.1 17.5 4.1 9.0 43 43 A V + 0 0 29 -14,-0.5 -12,-1.7 21,-0.1 -1,-0.4 -0.976 66.9 175.6-124.5 131.2 16.9 1.0 11.1 44 44 A G E -cE 31 63A 5 19,-1.6 19,-2.0 -2,-0.4 2,-0.4 -0.936 28.1-118.9-132.8 155.7 19.5 -1.5 12.3 45 45 A M E -cE 32 62A 4 -14,-2.9 -12,-0.9 -12,-0.8 17,-0.2 -0.784 34.5-110.8 -96.6 134.8 19.6 -4.6 14.4 46 46 A F - 0 0 68 15,-1.7 2,-0.5 -2,-0.4 15,-0.3 -0.401 32.3-160.2 -64.0 132.6 21.7 -4.6 17.6 47 47 A V + 0 0 57 -2,-0.1 2,-0.3 -15,-0.1 5,-0.1 -0.964 29.8 125.7-121.6 120.2 24.7 -6.9 17.3 48 48 A S S S- 0 0 39 3,-1.0 -15,-0.0 -2,-0.5 62,-0.0 -0.970 73.1 -89.8-160.7 169.7 26.5 -8.2 20.4 49 49 A D S S+ 0 0 150 -2,-0.3 61,-0.1 1,-0.2 3,-0.0 0.626 132.3 34.1 -62.4 -10.7 27.7 -11.4 22.1 50 50 A V S S+ 0 0 45 59,-0.2 62,-0.5 61,-0.1 9,-0.4 0.691 107.0 75.4-112.1 -34.3 24.3 -11.3 23.8 51 51 A T + 0 0 6 58,-0.2 -3,-1.0 60,-0.1 2,-0.3 -0.639 59.4 168.8 -85.1 138.3 22.1 -9.9 21.1 52 52 A T - 0 0 63 7,-2.7 9,-0.4 -2,-0.3 -6,-0.1 -0.854 34.4 -92.1-139.8 174.2 21.1 -12.1 18.2 53 53 A T - 0 0 21 -2,-0.3 2,-1.6 7,-0.1 3,-0.3 -0.525 42.7-102.5 -89.4 158.3 18.8 -12.2 15.2 54 54 A P S S+ 0 0 4 0, 0.0 37,-0.1 0, 0.0 -1,-0.1 -0.587 73.9 124.2 -82.4 83.7 15.3 -13.7 15.3 55 55 A S S S- 0 0 64 -2,-1.6 3,-0.0 2,-0.1 31,-0.0 0.377 90.7 -25.1-118.8 -2.1 15.8 -17.1 13.5 56 56 A G S S- 0 0 54 -3,-0.3 -1,-0.1 58,-0.0 -3,-0.0 0.130 121.6 -19.6 150.2 86.2 14.5 -19.3 16.3 57 57 A G S S+ 0 0 41 1,-0.2 2,-0.3 58,-0.0 -4,-0.1 0.902 89.1 120.7 63.6 101.6 14.4 -18.3 20.0 58 58 A G - 0 0 6 -6,-0.1 58,-1.6 -4,-0.0 2,-0.8 -0.960 68.0 -79.3-178.4 165.3 16.8 -15.5 20.7 59 59 A H E - f 0 116A 2 -9,-0.4 -7,-2.7 53,-0.3 2,-0.6 -0.710 45.2-169.7 -83.7 110.2 17.2 -11.9 21.9 60 60 A T E - f 0 117A 1 56,-3.1 58,-3.7 -2,-0.8 2,-0.5 -0.894 3.4-174.1-105.8 120.9 16.1 -9.6 19.1 61 61 A V E - f 0 118A 0 -2,-0.6 -15,-1.7 -9,-0.4 2,-0.4 -0.950 6.3-159.3-117.7 131.6 16.9 -5.9 19.6 62 62 A L E -Ef 45 119A 6 56,-4.2 58,-4.0 -2,-0.5 2,-0.4 -0.886 2.1-160.3-111.2 139.4 15.7 -3.2 17.1 63 63 A S E +Ef 44 120A 21 -19,-2.0 -19,-1.6 -2,-0.4 2,-0.3 -0.973 25.6 138.8-122.6 129.4 17.2 0.3 16.8 64 64 A G E - f 0 121A 12 56,-1.5 58,-0.8 -2,-0.4 2,-0.3 -0.926 37.0-120.4-154.6 176.5 15.5 3.3 15.2 65 65 A H E - f 0 122A 103 -2,-0.3 2,-0.5 56,-0.3 58,-0.2 -0.873 20.4-121.5-126.3 159.9 14.9 7.0 15.6 66 66 A R + 0 0 109 56,-1.6 59,-0.2 -2,-0.3 3,-0.1 -0.883 35.1 157.7-105.4 128.0 11.8 9.2 15.9 67 67 A D - 0 0 133 -2,-0.5 2,-0.2 1,-0.4 58,-0.2 0.785 62.5 -9.2-109.0 -66.3 11.1 11.9 13.3 68 68 A T - 0 0 109 0, 0.0 2,-0.5 0, 0.0 -1,-0.4 -0.751 67.8-103.7-129.8 177.2 7.4 12.8 13.3 69 69 A V + 0 0 85 -2,-0.2 -3,-0.0 1,-0.1 0, 0.0 -0.916 58.8 120.7-110.2 127.8 4.2 11.6 14.8 70 70 A F S S+ 0 0 193 -2,-0.5 3,-0.2 0, 0.0 -1,-0.1 0.376 87.5 6.7-143.1 -67.9 1.7 9.7 12.6 71 71 A T S >> S+ 0 0 43 1,-0.1 4,-1.8 2,-0.1 3,-0.9 0.078 88.0 117.0-113.4 20.5 0.8 6.2 13.8 72 72 A D H 3> S+ 0 0 41 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.806 70.6 64.0 -58.2 -28.4 2.7 6.4 17.1 73 73 A L H 34 S+ 0 0 134 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.885 109.8 36.4 -62.9 -39.6 -0.7 6.0 18.8 74 74 A G H <4 S+ 0 0 9 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.685 110.2 64.5 -86.2 -20.1 -1.1 2.5 17.4 75 75 A Q H < S+ 0 0 50 -4,-1.8 2,-1.2 1,-0.2 -2,-0.2 0.916 95.8 59.3 -68.8 -44.1 2.6 1.8 17.7 76 76 A L S < S+ 0 0 55 -4,-1.9 2,-0.3 -5,-0.1 -1,-0.2 -0.715 86.3 94.7 -90.8 93.0 2.5 1.9 21.5 77 77 A K S > S- 0 0 47 -2,-1.2 3,-1.0 -3,-0.1 18,-0.3 -0.912 73.6-125.8-174.7 147.7 0.0 -0.7 22.5 78 78 A E T 3 S+ 0 0 115 -2,-0.3 17,-0.1 1,-0.2 -1,-0.0 0.609 110.0 64.8 -75.1 -11.7 -0.2 -4.4 23.6 79 79 A K T 3 S+ 0 0 157 15,-0.1 -1,-0.2 -5,-0.1 2,-0.1 0.633 86.4 91.6 -84.1 -15.6 -2.6 -4.9 20.8 80 80 A D < - 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