==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAY-12 4F0R . COMPND 2 MOLECULE: 5-METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE DEAM . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR J.KIM,M.W.VETTING,J.M.SAUDER,S.K.BURLEY,F.M.RAUSHEL,J.B.BONA . 436 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 79.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 39 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.4 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 1 0 3 2 3 0 1 2 0 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 2 1 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 PARALLEL BRIDGES PER LADDER . 1 1 0 2 1 1 0 1 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 0 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 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 5 A R 0 0 90 0, 0.0 46,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 159.5 11.5 55.3 -12.6 2 6 A Y E -a 47 0A 40 44,-1.8 46,-2.2 1,-0.1 27,-0.2 -0.477 360.0-139.3 -73.8 149.3 11.4 51.6 -11.6 3 7 A E E S+ 0 0 55 25,-2.7 46,-0.6 1,-0.3 2,-0.3 0.855 83.7 2.4 -73.1 -39.9 12.7 50.6 -8.2 4 8 A K E -aB 49 28A 27 24,-1.3 24,-2.9 44,-0.2 2,-0.4 -1.000 52.0-162.1-147.1 149.8 14.4 47.5 -9.6 5 9 A I E -aB 50 27A 1 44,-1.6 46,-2.8 -2,-0.3 2,-0.6 -0.978 16.4-171.8-131.7 119.0 15.1 45.7 -12.8 6 10 A I E -aB 51 26A 2 20,-2.6 20,-3.0 -2,-0.4 2,-0.3 -0.950 1.4-168.2-115.6 114.8 16.2 42.1 -12.5 7 11 A S E +aB 52 25A 9 44,-2.9 46,-1.5 -2,-0.6 2,-0.3 -0.780 11.8 174.0 -99.7 147.1 17.3 40.2 -15.5 8 12 A A E -aB 53 24A 7 16,-2.1 16,-0.7 -2,-0.3 15,-0.2 -0.986 43.2-118.9-149.7 159.4 17.8 36.5 -15.5 9 13 A R E S+ 0 0 72 44,-1.3 14,-2.3 47,-0.8 2,-0.3 0.890 101.2 17.0 -65.5 -40.5 18.6 33.6 -17.8 10 14 A W E -aB 57 22A 15 46,-1.9 48,-2.5 12,-0.2 2,-0.4 -0.976 59.1-165.8-134.8 146.0 15.3 32.0 -17.1 11 15 A I E -aB 58 21A 0 10,-1.8 10,-2.5 -2,-0.3 2,-0.7 -0.979 8.6-158.8-129.2 119.2 11.9 33.0 -15.6 12 16 A I E - B 0 20A 5 46,-2.5 8,-0.2 -2,-0.4 348,-0.1 -0.893 12.0-174.4 -93.3 114.0 9.5 30.3 -14.6 13 17 A T - 0 0 2 6,-1.5 347,-2.7 -2,-0.7 -1,-0.2 0.814 18.7-149.3 -82.6 -35.3 6.2 32.2 -14.5 14 18 A V + 0 0 5 5,-0.5 3,-0.2 2,-0.4 -1,-0.1 0.465 69.5 111.8 71.3 5.9 3.8 29.6 -13.1 15 19 A E S S+ 0 0 74 1,-0.3 2,-0.4 345,-0.2 -1,-0.1 0.923 91.4 10.1 -72.1 -40.9 1.1 31.3 -15.3 16 20 A T S > S- 0 0 89 3,-0.1 3,-1.8 0, 0.0 -2,-0.4 -0.989 98.1 -98.1-133.5 143.4 0.9 28.3 -17.5 17 21 A D T 3 S+ 0 0 78 -2,-0.4 3,-0.1 1,-0.3 321,-0.1 -0.362 109.5 15.5 -59.3 129.6 2.6 25.0 -16.8 18 22 A G T 3 S+ 0 0 48 1,-0.3 2,-0.4 -2,-0.1 -1,-0.3 0.226 86.5 141.5 93.6 -13.7 5.9 24.7 -18.6 19 23 A E < + 0 0 76 -3,-1.8 -6,-1.5 -7,-0.0 -5,-0.5 -0.478 19.1 167.1 -70.0 121.4 6.2 28.5 -19.4 20 24 A V E -B 12 0A 35 -2,-0.4 2,-0.4 -8,-0.2 -8,-0.2 -0.988 23.2-149.8-135.5 121.3 9.8 29.7 -19.1 21 25 A L E -B 11 0A 34 -10,-2.5 -10,-1.8 -2,-0.4 2,-0.4 -0.751 15.6-142.1 -90.5 139.3 10.9 33.0 -20.5 22 26 A E E S-B 10 0A 109 -2,-0.4 -12,-0.2 1,-0.2 17,-0.2 -0.847 71.9 -7.9-109.0 133.9 14.5 33.2 -21.7 23 27 A N E S+ 0 0 86 -14,-2.3 16,-2.6 -2,-0.4 17,-0.3 0.878 96.0 139.7 50.3 50.1 16.7 36.2 -21.1 24 28 A H E -BC 8 38A 45 -16,-0.7 -16,-2.1 -3,-0.3 2,-0.3 -0.628 40.4-139.3-112.9 175.4 13.9 38.4 -19.8 25 29 A A E -BC 7 37A 0 12,-2.6 12,-2.1 -18,-0.2 2,-0.5 -0.958 5.4-136.1-139.5 149.0 13.8 40.9 -17.0 26 30 A I E -BC 6 36A 0 -20,-3.0 -20,-2.6 -2,-0.3 2,-0.5 -0.948 15.7-156.5-106.0 124.0 11.4 41.9 -14.3 27 31 A A E -BC 5 35A 1 8,-2.8 7,-3.3 -2,-0.5 8,-1.5 -0.879 12.7-159.6-101.3 134.0 10.7 45.5 -13.7 28 32 A I E +BC 4 33A 0 -24,-2.9 -25,-2.7 -2,-0.5 -24,-1.3 -0.923 19.1 159.8-119.2 129.5 9.5 46.4 -10.2 29 33 A R E > S+ C 0 32A 92 3,-2.1 3,-2.0 -2,-0.4 -27,-0.1 -0.993 70.5 6.6-145.0 147.6 7.6 49.5 -8.9 30 34 A D T 3 S- 0 0 117 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.824 129.1 -62.8 55.3 31.6 5.5 50.1 -5.8 31 35 A G T 3 S+ 0 0 8 1,-0.2 335,-3.0 373,-0.1 2,-0.3 0.485 116.1 105.2 78.9 3.1 6.4 46.6 -4.7 32 36 A K E < S-CD 29 365A 87 -3,-2.0 -3,-2.1 333,-0.3 2,-0.7 -0.789 84.0 -96.0-118.2 161.0 4.7 45.0 -7.7 33 37 A I E +C 28 0A 1 331,-3.2 330,-3.0 328,-0.3 -5,-0.2 -0.610 43.7 175.1 -74.4 108.7 5.7 43.4 -11.0 34 38 A A E - 0 0 28 -7,-3.3 2,-0.3 -2,-0.7 -6,-0.2 0.808 59.9 -2.1 -91.8 -33.4 5.4 46.3 -13.4 35 39 A A E -C 27 0A 18 -8,-1.5 -8,-2.8 326,-0.1 2,-0.4 -0.987 47.6-152.9-158.5 148.9 6.7 44.8 -16.6 36 40 A I E +C 26 0A 45 -2,-0.3 -10,-0.2 -10,-0.2 326,-0.1 -0.959 41.2 157.6-123.3 108.1 8.1 41.5 -17.9 37 41 A I E -C 25 0A 33 -12,-2.1 -12,-2.6 -2,-0.4 5,-0.1 -0.884 48.4 -78.5-136.3 158.7 10.3 42.4 -20.9 38 42 A P E >> -C 24 0A 58 0, 0.0 4,-1.2 0, 0.0 3,-0.6 -0.270 43.8-123.6 -53.9 138.5 13.2 41.2 -23.1 39 43 A A H 3> S+ 0 0 30 -16,-2.6 4,-1.1 1,-0.2 -15,-0.1 0.797 111.3 62.0 -61.4 -24.9 16.5 41.9 -21.3 40 44 A A H >4 S+ 0 0 84 -17,-0.3 3,-0.5 1,-0.2 4,-0.4 0.930 103.8 47.0 -63.3 -45.7 17.6 43.9 -24.3 41 45 A D H X4 S+ 0 0 101 -3,-0.6 3,-0.5 1,-0.2 -1,-0.2 0.717 104.4 64.2 -67.2 -23.5 14.8 46.4 -23.8 42 46 A A H >< S+ 0 0 1 -4,-1.2 3,-1.7 1,-0.2 -1,-0.2 0.855 84.5 72.3 -70.5 -35.3 15.6 46.6 -20.1 43 47 A A T << S+ 0 0 75 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.784 98.0 49.5 -54.2 -30.6 19.0 48.1 -20.6 44 48 A G T < S+ 0 0 75 -3,-0.5 2,-0.4 -4,-0.4 -1,-0.3 -0.091 90.6 95.2-105.0 34.0 17.5 51.5 -21.6 45 49 A L S < S- 0 0 62 -3,-1.7 2,-0.2 -44,-0.0 -40,-0.0 -0.941 77.8-109.9-119.0 146.4 15.0 52.0 -18.8 46 50 A E + 0 0 67 -2,-0.4 -44,-1.8 -42,-0.0 2,-0.3 -0.536 44.1 165.9 -75.4 137.8 15.6 54.1 -15.6 47 51 A A E -a 2 0A 25 -2,-0.2 -44,-0.2 -46,-0.2 3,-0.1 -0.986 44.1-137.4-149.7 143.8 15.9 52.1 -12.4 48 52 A D E S+ 0 0 118 -46,-2.2 2,-0.3 -2,-0.3 -44,-0.2 0.811 99.9 14.5 -63.6 -35.2 17.1 52.8 -8.9 49 53 A E E -a 4 0A 97 -46,-0.6 -44,-1.6 -47,-0.2 2,-0.4 -0.993 67.1-164.3-141.6 139.9 18.8 49.4 -8.9 50 54 A R E -a 5 0A 102 -2,-0.3 2,-0.4 -46,-0.2 -44,-0.2 -0.963 8.4-170.4-120.4 143.0 19.7 47.0 -11.8 51 55 A L E -a 6 0A 48 -46,-2.8 -44,-2.9 -2,-0.4 2,-0.5 -0.991 7.8-160.3-137.5 132.6 20.6 43.4 -11.2 52 56 A E E -a 7 0A 116 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.938 8.4-179.1-113.2 128.0 22.0 40.9 -13.7 53 57 A L E > -a 8 0A 4 -46,-1.5 3,-1.6 -2,-0.5 -44,-1.3 -0.665 5.6-172.8-128.9 72.0 21.7 37.2 -13.0 54 58 A P E 3 S+ 0 0 88 0, 0.0 320,-0.2 0, 0.0 3,-0.1 -0.386 78.0 14.2 -62.2 146.6 23.2 35.0 -15.7 55 59 A D E 3 S+ 0 0 83 1,-0.2 318,-2.4 318,-0.1 319,-0.4 0.672 104.2 118.4 64.5 12.8 22.6 31.3 -15.3 56 60 A H E < - E 0 372A 17 -3,-1.6 -46,-1.9 316,-0.2 -47,-0.8 -0.855 56.4-144.0-106.0 148.3 19.9 32.1 -12.6 57 61 A V E -aE 10 371A 0 314,-2.2 314,-2.4 -2,-0.3 2,-0.4 -0.937 12.0-153.2-104.2 135.1 16.3 31.2 -12.8 58 62 A L E +aE 11 370A 0 -48,-2.5 -46,-2.5 -2,-0.4 312,-0.2 -0.880 27.6 154.8-101.8 142.3 13.8 33.7 -11.3 59 63 A X E - E 0 369A 1 310,-2.1 310,-2.5 -2,-0.4 -46,-0.1 -0.937 49.7 -70.2-157.8 166.5 10.5 32.3 -10.0 60 64 A P E - E 0 368A 1 0, 0.0 308,-0.3 0, 0.0 300,-0.1 -0.415 62.2 -97.5 -62.1 151.1 7.8 33.1 -7.5 61 65 A G - 0 0 2 306,-1.8 2,-0.2 340,-0.2 59,-0.2 -0.318 45.6-101.5 -64.9 152.3 8.9 32.7 -3.9 62 66 A L E -i 120 0B 3 57,-2.6 59,-2.5 -3,-0.1 60,-1.7 -0.531 28.4-142.8 -78.7 146.0 7.9 29.5 -2.3 63 67 A I E -i 122 0B 2 280,-3.0 2,-1.0 -2,-0.2 237,-0.6 -0.932 3.1-152.8-116.1 109.2 4.8 29.5 0.0 64 68 A N E -ij 123 300B 1 58,-2.6 60,-2.7 -2,-0.6 237,-0.3 -0.757 10.7-169.0 -82.2 102.9 5.2 27.1 3.1 65 69 A L E + 0 0 0 235,-2.9 236,-0.3 -2,-1.0 2,-0.2 0.509 68.4 32.2 -81.3 -0.6 1.5 26.4 3.7 66 70 A H E S+ 0 0 0 234,-0.3 237,-3.0 207,-0.1 236,-0.7 -0.723 70.3 142.6-161.0 104.7 2.0 24.7 7.1 67 71 A G E -i 125 0B 2 57,-2.2 59,-1.4 -2,-0.2 237,-0.2 -0.896 39.5-156.6-136.1 164.0 4.6 25.4 9.8 68 72 A H > - 0 0 20 235,-0.4 3,-2.1 -2,-0.3 237,-0.4 -0.728 29.1-177.5-128.8 74.1 5.2 25.6 13.5 69 73 A S G > S+ 0 0 4 1,-0.3 3,-2.2 2,-0.2 42,-0.2 0.836 71.7 59.5 -56.4 -42.5 8.2 27.9 13.2 70 74 A A G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.750 89.0 74.6 -59.0 -22.1 9.1 28.2 16.9 71 75 A X G X + 0 0 23 -3,-2.1 3,-2.3 1,-0.3 -1,-0.3 0.535 67.2 93.1 -70.7 -2.7 9.6 24.4 17.0 72 76 A S G X S+ 0 0 3 -3,-2.2 3,-1.7 1,-0.3 -1,-0.3 0.872 77.1 64.2 -50.1 -31.9 12.8 25.0 15.1 73 77 A L G < S+ 0 0 21 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.582 100.1 50.4 -72.2 -7.1 14.3 25.1 18.6 74 78 A L G X S+ 0 0 1 -3,-2.3 3,-1.9 -4,-0.1 4,-0.4 0.219 77.8 145.0-112.1 8.7 13.4 21.4 19.1 75 79 A R T < S- 0 0 89 -3,-1.7 231,-0.2 1,-0.3 -3,-0.1 -0.342 80.4 -10.9 -53.7 115.5 15.0 20.2 15.8 76 80 A G T 3 S+ 0 0 39 229,-0.3 -1,-0.3 -2,-0.2 3,-0.2 0.711 91.8 130.2 69.1 20.0 16.4 16.7 16.2 77 81 A L S < S+ 0 0 59 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.920 84.5 4.3 -69.9 -43.0 16.0 16.8 20.0 78 82 A A S S+ 0 0 6 -4,-0.4 -1,-0.3 228,-0.1 2,-0.3 -0.987 78.8 168.3-145.6 129.7 14.3 13.4 19.9 79 83 A D + 0 0 43 -2,-0.3 228,-0.1 -3,-0.2 227,-0.0 -0.944 50.2 27.3-135.8 161.5 13.8 11.1 16.9 80 84 A D S S+ 0 0 158 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.706 81.4 131.1 65.8 28.8 12.8 7.6 15.8 81 85 A K S S- 0 0 72 1,-0.1 -1,-0.2 -3,-0.1 2,-0.0 -0.661 70.2 -86.5-106.7 160.5 10.6 6.9 18.8 82 86 A A > - 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