==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAR-11 3R8Y . COMPND 2 MOLECULE: 2,3,4,5-TETRAHYDROPYRIDINE-2,6-DICARBOXYLATE N- . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR S.M.ANDERSON,Z.WAWRZAK,O.ONOPRIYENKO,S.N.PETERSON,W.F.ANDERS . 1234 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 957 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 282 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 192 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 6 0.5 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 . 2 0.2 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 . 162 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 90 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 0 PARALLEL BRIDGES PER LADDER . 18 2 2 7 1 4 8 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 0 6 0 12 0 0 6 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 17 A E 0 0 191 0, 0.0 2,-0.3 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -48.8 5.6 20.6 66.1 2 18 A K - 0 0 109 61,-0.1 2,-0.3 2,-0.0 63,-0.2 -0.584 360.0-166.6 -72.9 134.5 1.9 19.7 65.9 3 19 A K B -A 64 0A 107 61,-1.8 61,-2.3 -2,-0.3 60,-0.1 -0.892 32.7-161.9-130.1 157.0 0.0 21.5 68.6 4 20 A T - 0 0 5 -2,-0.3 34,-2.2 58,-0.2 35,-0.1 -0.652 28.6-168.1-132.7 73.7 -3.4 21.6 70.3 5 21 A P E -B 37 0B 44 0, 0.0 55,-0.6 0, 0.0 56,-0.4 -0.404 5.7-174.3 -71.9 137.4 -3.5 25.0 71.9 6 22 A V E -BC 36 59B 6 30,-3.0 30,-1.9 53,-0.1 2,-0.5 -0.934 22.3-151.0-126.9 154.2 -6.2 25.8 74.4 7 23 A K E -BC 35 58B 18 51,-2.1 51,-2.6 -2,-0.3 2,-0.5 -0.998 23.0-169.3-116.8 126.5 -7.4 28.8 76.4 8 24 A V E -BC 34 57B 0 26,-3.1 26,-3.2 -2,-0.5 2,-0.4 -0.944 14.9-153.4-126.9 115.9 -9.0 27.8 79.7 9 25 A Y E -BC 33 56B 7 47,-2.1 47,-1.9 -2,-0.5 2,-0.3 -0.713 27.8-178.5 -80.3 130.6 -10.9 30.0 82.0 10 26 A I E -BC 32 55B 0 22,-3.4 22,-2.8 -2,-0.4 2,-0.3 -0.894 15.0-176.1-132.3 157.7 -10.7 28.8 85.5 11 27 A K E +BC 31 54B 55 43,-1.5 42,-1.7 -2,-0.3 43,-1.1 -0.991 34.5 75.2-151.7 155.1 -12.0 29.6 89.0 12 28 A G E S- C 0 52B 13 18,-2.6 2,-1.3 -2,-0.3 40,-0.2 -0.996 95.0 -20.4 148.1-148.3 -11.5 28.4 92.6 13 29 A D > + 0 0 50 38,-1.8 3,-1.5 -2,-0.3 17,-0.2 -0.659 67.5 168.4 -94.4 77.0 -8.9 28.7 95.3 14 30 A L G > + 0 0 6 15,-1.6 3,-2.2 -2,-1.3 -1,-0.2 0.720 61.0 74.2 -71.3 -24.2 -6.1 29.5 92.8 15 31 A K G 3 S+ 0 0 131 14,-0.6 -1,-0.3 1,-0.3 15,-0.1 0.729 94.0 58.2 -59.7 -20.2 -3.5 30.6 95.3 16 32 A E G < S+ 0 0 91 -3,-1.5 2,-0.5 13,-0.2 -1,-0.3 0.507 94.2 81.0 -88.1 -6.6 -3.2 26.8 96.1 17 33 A V < - 0 0 10 -3,-2.2 2,-0.5 -4,-0.1 31,-0.0 -0.879 62.4-159.1-106.4 129.7 -2.3 26.0 92.5 18 34 A T - 0 0 130 -2,-0.5 -3,-0.0 0, 0.0 -2,-0.0 -0.906 11.7-150.6-103.8 134.3 1.2 26.4 91.1 19 35 A F - 0 0 48 -2,-0.5 6,-0.1 6,-0.1 -2,-0.0 -0.871 13.3-123.3-108.2 137.7 1.5 26.6 87.3 20 36 A P > - 0 0 54 0, 0.0 3,-1.6 0, 0.0 5,-0.1 -0.261 27.5-110.2 -70.3 161.8 4.6 25.4 85.2 21 37 A E T 3 S+ 0 0 200 1,-0.3 -2,-0.0 3,-0.1 4,-0.0 0.592 112.3 76.0 -69.6 -10.1 6.5 27.8 82.9 22 38 A T T 3 S+ 0 0 83 18,-0.0 2,-0.4 2,-0.0 15,-0.3 0.637 95.0 55.6 -75.4 -14.6 5.0 25.8 80.0 23 39 A V S < S- 0 0 9 -3,-1.6 2,-0.8 13,-0.1 13,-0.2 -0.948 79.5-133.1-121.4 141.9 1.7 27.5 80.6 24 40 A Q E -D 35 0B 67 11,-2.6 11,-2.4 -2,-0.4 2,-0.7 -0.837 26.8-166.4 -90.8 109.8 0.8 31.2 80.6 25 41 A A E -D 34 0B 10 -2,-0.8 2,-0.9 9,-0.2 9,-0.2 -0.872 12.6-174.7-103.5 113.4 -1.4 31.7 83.7 26 42 A F E +D 33 0B 3 7,-2.5 7,-2.2 -2,-0.7 2,-0.3 -0.845 37.8 139.2-104.5 94.5 -3.2 35.0 83.9 27 43 A V E -D 32 0B 28 -2,-0.9 2,-0.2 5,-0.2 5,-0.2 -0.935 40.2-167.5-141.7 161.7 -4.8 34.8 87.3 28 44 A N - 0 0 19 3,-1.9 -14,-0.1 -2,-0.3 -2,-0.0 -0.593 60.2 -67.7-126.4-171.6 -5.7 36.4 90.5 29 45 A K S S+ 0 0 153 -2,-0.2 -15,-1.6 1,-0.2 -14,-0.6 0.837 124.9 14.6 -55.5 -41.3 -6.9 34.7 93.7 30 46 A K S S+ 0 0 123 1,-0.2 -18,-2.6 -17,-0.2 2,-0.3 0.717 123.5 29.4-107.9 -26.5 -10.3 33.4 92.6 31 47 A S E +B 11 0B 7 -20,-0.2 -3,-1.9 211,-0.1 2,-0.3 -0.956 59.2 145.4-137.4 157.9 -10.5 33.5 88.8 32 48 A G E -BD 10 27B 13 -22,-2.8 -22,-3.4 -2,-0.3 2,-0.4 -0.992 36.2-114.1-171.4 177.2 -8.3 33.3 85.8 33 49 A V E -BD 9 26B 9 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.4 -0.991 25.8-153.7-129.4 135.6 -7.5 32.3 82.2 34 50 A L E -BD 8 25B 0 -26,-3.2 -26,-3.1 -2,-0.4 2,-0.4 -0.926 5.4-166.1-117.0 134.8 -4.9 29.7 81.1 35 51 A F E +BD 7 24B 22 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.3 -0.967 39.5 80.7-118.2 128.7 -3.0 29.4 77.8 36 52 A G E S-B 6 0B 19 -30,-1.9 -30,-3.0 -2,-0.4 2,-0.2 -0.987 77.0 -34.1 170.5-171.8 -1.0 26.4 76.7 37 53 A E E > -B 5 0B 51 -15,-0.3 4,-2.5 -2,-0.3 3,-0.4 -0.536 50.1-129.0 -72.1 138.5 -1.0 22.9 75.2 38 54 A W H > S+ 0 0 31 -34,-2.2 4,-3.2 1,-0.2 5,-0.3 0.883 107.8 57.1 -56.4 -41.9 -4.1 20.8 76.0 39 55 A S H > S+ 0 0 76 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.903 112.1 42.1 -57.0 -42.4 -2.0 17.9 77.2 40 56 A E H > S+ 0 0 87 -3,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.915 117.8 44.9 -69.1 -45.5 -0.2 20.1 79.7 41 57 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.866 106.0 60.0 -70.5 -37.6 -3.4 21.9 80.9 42 58 A K H X S+ 0 0 103 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.906 105.0 50.0 -57.1 -44.3 -5.5 18.8 81.1 43 59 A T H X S+ 0 0 66 -4,-1.1 4,-2.9 -5,-0.3 -1,-0.2 0.885 109.9 51.0 -61.1 -41.4 -3.1 17.4 83.7 44 60 A I H X S+ 0 0 13 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.921 110.4 47.9 -63.6 -46.2 -3.3 20.6 85.7 45 61 A L H < S+ 0 0 7 -4,-2.6 3,-0.4 2,-0.2 7,-0.2 0.937 116.1 45.1 -59.8 -46.8 -7.1 20.7 85.7 46 62 A D H >< S+ 0 0 100 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.939 113.6 46.8 -62.7 -50.7 -7.1 17.0 86.8 47 63 A E H 3< S+ 0 0 149 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.589 118.2 43.0 -73.5 -9.0 -4.4 17.2 89.5 48 64 A N T >X + 0 0 31 -4,-1.0 4,-2.6 -3,-0.4 3,-1.5 0.025 68.8 129.8-124.3 28.4 -6.0 20.3 91.0 49 65 A S T <4 + 0 0 85 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.762 69.5 62.2 -54.2 -28.3 -9.7 19.4 91.0 50 66 A K T 34 S+ 0 0 163 1,-0.2 -1,-0.3 -3,-0.1 -37,-0.1 0.847 116.1 27.8 -68.3 -33.7 -10.0 20.4 94.6 51 67 A Y T <4 S+ 0 0 70 -3,-1.5 -38,-1.8 1,-0.2 2,-0.8 0.697 113.4 64.1-104.7 -25.9 -9.0 24.0 94.0 52 68 A I E < +C 12 0B 7 -4,-2.6 -40,-0.2 -40,-0.2 -1,-0.2 -0.885 61.2 170.7 -98.9 102.8 -10.2 24.5 90.4 53 69 A V E + 0 0 102 -42,-1.7 2,-0.3 -2,-0.8 -41,-0.2 0.673 61.1 10.8 -93.9 -19.8 -14.0 24.0 90.8 54 70 A D E +C 11 0B 51 -43,-1.1 -43,-1.5 2,-0.0 2,-0.3 -0.983 63.3 170.1-153.1 155.2 -15.1 25.1 87.3 55 71 A Y E -C 10 0B 99 -2,-0.3 2,-0.4 -45,-0.2 -45,-0.2 -0.984 23.4-142.6-161.3 158.6 -13.6 25.9 83.9 56 72 A V E -C 9 0B 26 -47,-1.9 -47,-2.1 -2,-0.3 2,-0.5 -0.991 19.1-153.1-128.6 121.9 -14.4 26.5 80.3 57 73 A V E -C 8 0B 35 -2,-0.4 2,-0.4 -49,-0.2 -49,-0.2 -0.835 8.2-169.2 -99.5 128.3 -12.1 25.2 77.6 58 74 A E E +C 7 0B 60 -51,-2.6 -51,-2.1 -2,-0.5 2,-0.3 -0.940 12.6 166.2-113.7 139.7 -11.8 26.8 74.2 59 75 A N E +C 6 0B 43 -2,-0.4 -53,-0.1 -53,-0.2 228,-0.1 -0.982 18.7 177.3-154.1 136.1 -9.9 25.2 71.3 60 76 A D + 0 0 80 -55,-0.6 237,-0.4 -2,-0.3 2,-0.3 0.450 67.4 27.0-123.0 -3.0 -9.8 25.9 67.6 61 77 A R - 0 0 48 -56,-0.4 2,-0.4 235,-0.1 -1,-0.2 -0.990 57.0-147.4-158.8 159.8 -7.4 23.4 66.1 62 78 A R B S-E 294 0C 47 232,-2.6 232,-2.1 -2,-0.3 -58,-0.2 -0.996 78.2 -11.7-139.2 127.2 -5.9 19.9 66.7 63 79 A N S S+ 0 0 37 -2,-0.4 2,-0.4 1,-0.2 -59,-0.2 0.849 88.1 157.7 52.4 40.0 -2.4 18.6 65.8 64 80 A S B +A 3 0A 6 -61,-2.3 -61,-1.8 1,-0.1 -1,-0.2 -0.813 23.1 176.3-100.6 133.3 -1.8 21.8 63.8 65 81 A A + 0 0 36 -2,-0.4 -1,-0.1 -63,-0.2 -2,-0.1 0.766 56.1 77.1-106.8 -34.0 1.8 22.9 63.1 66 82 A I S S- 0 0 50 1,-0.0 -1,-0.1 20,-0.0 -64,-0.0 -0.705 72.3-140.9 -88.7 121.1 1.7 25.9 60.8 67 83 A P - 0 0 64 0, 0.0 19,-2.5 0, 0.0 2,-0.2 -0.263 21.5-100.4 -75.3 167.4 0.7 29.2 62.6 68 84 A M B -M 85 0D 50 17,-0.3 17,-0.3 1,-0.1 2,-0.2 -0.482 44.9 -92.8 -82.6 157.1 -1.5 31.9 61.2 69 85 A L - 0 0 26 15,-2.9 2,-0.8 17,-0.2 15,-0.2 -0.500 34.4-119.5 -70.9 135.0 -0.1 35.1 59.7 70 86 A D - 0 0 100 -2,-0.2 3,-0.4 1,-0.2 4,-0.1 -0.682 33.5-178.4 -74.7 110.5 0.3 38.0 62.1 71 87 A L > + 0 0 18 -2,-0.8 3,-1.5 1,-0.2 5,-0.2 0.604 52.3 97.4 -85.9 -13.4 -1.9 40.6 60.4 72 88 A K T 3 S+ 0 0 30 1,-0.3 -1,-0.2 405,-0.1 409,-0.1 0.671 92.6 29.4 -61.2 -25.4 -1.3 43.5 62.8 73 89 A G T 3 S+ 0 0 61 -3,-0.4 -1,-0.3 407,-0.0 2,-0.2 0.366 86.6 124.2-113.8 2.9 1.3 45.4 60.8 74 90 A I < - 0 0 28 -3,-1.5 2,-1.7 1,-0.1 4,-0.1 -0.444 61.2-134.6 -71.2 134.4 0.4 44.5 57.2 75 91 A K S S+ 0 0 140 15,-0.3 18,-2.5 -2,-0.2 19,-0.3 -0.431 78.6 68.3 -86.2 63.2 -0.3 47.5 54.9 76 92 A A S S- 0 0 5 -2,-1.7 2,-0.5 16,-0.2 19,-0.2 -0.935 87.3 -88.4-164.2 178.8 -3.5 45.9 53.5 77 93 A R E +n 95 0E 56 17,-2.5 19,-3.0 -2,-0.3 2,-0.5 -0.901 34.2 177.9-111.6 120.8 -7.1 45.0 54.4 78 94 A I E -nO 96 480E 0 402,-2.3 402,-2.6 -2,-0.5 19,-0.2 -0.983 18.1-147.6-124.1 120.7 -7.9 41.6 55.8 79 95 A E > - 0 0 1 17,-2.9 3,-1.9 -2,-0.5 20,-0.2 -0.448 30.9 -81.3 -92.4 158.6 -11.5 40.9 56.8 80 96 A P T 3 S+ 0 0 3 0, 0.0 19,-0.3 0, 0.0 -1,-0.1 -0.227 114.5 26.8 -56.6 140.8 -12.9 38.7 59.6 81 97 A G T 3 S+ 0 0 24 1,-0.4 2,-0.2 397,-0.3 398,-0.1 0.195 84.5 128.8 91.2 -20.4 -13.1 35.0 58.8 82 98 A A < - 0 0 12 -3,-1.9 2,-0.5 396,-0.3 -1,-0.4 -0.546 47.1-154.2 -66.2 133.7 -10.2 35.2 56.3 83 99 A I E +v 101 0F 28 17,-2.6 19,-2.6 -2,-0.2 2,-0.5 -0.965 17.5 175.5-115.0 119.3 -7.7 32.5 57.3 84 100 A I E -v 102 0F 7 -2,-0.5 -15,-2.9 17,-0.2 19,-0.2 -0.987 20.6-139.1-128.4 124.5 -4.1 33.1 56.2 85 101 A R B -M 68 0D 11 17,-2.3 3,-0.3 -2,-0.5 -17,-0.3 -0.342 34.2 -90.5 -73.3 159.6 -1.2 30.9 57.0 86 102 A D S S+ 0 0 50 -19,-2.5 19,-0.4 1,-0.2 -17,-0.2 -0.174 106.9 45.0 -60.0 162.4 2.2 32.3 58.0 87 103 A H S S+ 0 0 123 1,-0.3 18,-1.7 17,-0.2 2,-0.4 0.842 79.9 132.3 67.5 34.5 4.8 32.9 55.3 88 104 A V - 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