==== 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 4F0S . 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 . 434 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 77.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 11.5 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 . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.0 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 3 2 3 0 1 2 1 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 1 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 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,-0.0 0.000 360.0 360.0 360.0 142.9 -11.1 -55.2 -12.5 2 6 A Y B -a 47 0A 37 44,-1.2 46,-2.1 1,-0.1 27,-0.2 -0.376 360.0-144.1 -61.3 144.4 -11.2 -51.4 -11.9 3 7 A E S S+ 0 0 59 25,-2.6 46,-0.5 1,-0.3 2,-0.3 0.841 79.7 0.7 -77.6 -36.3 -12.6 -50.5 -8.5 4 8 A K E -B 28 0B 30 24,-1.2 24,-2.8 44,-0.2 2,-0.4 -0.994 52.2-161.8-151.1 144.6 -14.4 -47.4 -9.9 5 9 A I E -Bc 27 50B 1 44,-1.5 46,-2.3 -2,-0.3 2,-0.6 -0.983 16.8-169.0-126.7 122.3 -15.0 -45.6 -13.1 6 10 A I E -Bc 26 51B 2 20,-2.5 20,-2.7 -2,-0.4 2,-0.4 -0.954 1.5-164.7-115.4 117.2 -16.1 -42.0 -12.7 7 11 A S E +Bc 25 52B 9 44,-2.9 46,-2.4 -2,-0.6 2,-0.3 -0.834 13.7 174.3-100.9 138.0 -17.4 -40.1 -15.8 8 12 A A E -Bc 24 53B 6 16,-2.3 16,-0.8 -2,-0.4 15,-0.2 -0.962 42.5-121.6-141.2 158.6 -17.8 -36.3 -15.7 9 13 A R E S+ 0 0 68 44,-1.3 14,-2.2 47,-0.7 2,-0.3 0.896 100.0 15.7 -63.0 -41.1 -18.6 -33.4 -18.0 10 14 A W E -Bc 22 57B 13 46,-2.0 48,-2.5 12,-0.2 2,-0.4 -0.980 59.8-164.5-135.8 146.3 -15.3 -31.8 -17.2 11 15 A I E -Bc 21 58B 0 10,-1.9 10,-2.9 -2,-0.3 2,-0.7 -0.981 8.5-157.7-128.5 120.0 -11.9 -32.8 -15.7 12 16 A I E -B 20 0B 5 46,-2.5 8,-0.2 -2,-0.4 348,-0.1 -0.880 12.3-173.9 -91.6 112.7 -9.5 -30.1 -14.7 13 17 A T - 0 0 4 6,-1.3 347,-2.9 -2,-0.7 -1,-0.2 0.828 17.6-150.9 -80.7 -33.8 -6.2 -32.0 -14.7 14 18 A V + 0 0 8 5,-0.5 3,-0.2 2,-0.4 -1,-0.1 0.556 69.7 111.6 64.7 10.5 -3.8 -29.4 -13.2 15 19 A E S S+ 0 0 78 1,-0.4 2,-0.3 345,-0.2 -1,-0.1 0.865 91.4 8.2 -76.7 -35.8 -1.2 -31.2 -15.4 16 20 A T S > S- 0 0 93 3,-0.1 3,-1.8 321,-0.0 -2,-0.4 -0.986 96.1 -98.2-139.1 142.3 -1.0 -28.1 -17.5 17 21 A D T 3 S+ 0 0 72 -2,-0.3 3,-0.1 1,-0.2 321,-0.0 -0.358 109.7 16.6 -57.0 133.7 -2.6 -24.7 -16.9 18 22 A G T 3 S+ 0 0 49 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.182 87.0 138.7 91.4 -18.3 -5.9 -24.5 -18.8 19 23 A E < + 0 0 79 -3,-1.8 -6,-1.3 -7,-0.0 -5,-0.5 -0.488 21.1 168.0 -71.2 119.7 -6.2 -28.2 -19.6 20 24 A V E -B 12 0B 39 -2,-0.4 2,-0.4 -8,-0.2 -8,-0.2 -0.990 23.7-147.6-132.5 120.9 -9.8 -29.4 -19.2 21 25 A L E -B 11 0B 32 -10,-2.9 -10,-1.9 -2,-0.4 2,-0.5 -0.741 15.5-145.5 -88.0 135.7 -10.9 -32.8 -20.5 22 26 A E E S-B 10 0B 104 -2,-0.4 -12,-0.2 1,-0.2 17,-0.2 -0.877 71.4 -8.0-107.1 133.6 -14.5 -33.0 -21.7 23 27 A N E S+ 0 0 89 -14,-2.2 16,-2.7 -2,-0.5 17,-0.3 0.895 96.6 140.1 53.7 46.9 -16.7 -36.0 -21.3 24 28 A H E -BD 8 38B 46 -16,-0.8 -16,-2.3 -3,-0.3 2,-0.3 -0.674 40.0-140.6-112.6 171.3 -13.9 -38.2 -20.0 25 29 A A E -BD 7 37B 0 12,-3.0 12,-2.0 -18,-0.2 2,-0.5 -0.962 5.4-137.2-135.4 151.3 -13.7 -40.7 -17.2 26 30 A I E -BD 6 36B 0 -20,-2.7 -20,-2.5 -2,-0.3 2,-0.5 -0.940 14.1-157.0-110.0 120.3 -11.3 -41.7 -14.5 27 31 A A E -BD 5 35B 0 8,-2.7 7,-3.1 -2,-0.5 8,-1.5 -0.847 12.9-157.6 -94.7 134.1 -10.7 -45.4 -13.9 28 32 A I E +BD 4 33B 0 -24,-2.8 -25,-2.6 -2,-0.5 -24,-1.2 -0.938 17.7 167.3-119.1 128.4 -9.3 -46.2 -10.4 29 33 A R E > S- D 0 32B 98 3,-2.3 3,-1.9 -2,-0.5 -27,-0.1 -0.996 70.1 -0.5-139.9 137.6 -7.4 -49.3 -9.3 30 34 A D T 3 S- 0 0 122 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.824 129.0 -59.1 56.9 34.2 -5.5 -49.9 -6.1 31 35 A G T 3 S+ 0 0 9 1,-0.2 335,-2.7 373,-0.1 -1,-0.3 0.458 118.2 102.6 80.1 1.5 -6.4 -46.4 -4.9 32 36 A K E < S-DE 29 365B 93 -3,-1.9 -3,-2.3 333,-0.3 2,-0.7 -0.786 84.5 -96.9-119.2 157.7 -4.7 -44.8 -7.9 33 37 A I E +D 28 0B 2 331,-3.1 330,-2.9 328,-0.3 -5,-0.2 -0.630 43.4 173.8 -70.1 112.0 -5.7 -43.2 -11.3 34 38 A A E + 0 0 32 -7,-3.1 2,-0.3 -2,-0.7 -6,-0.2 0.730 60.5 1.4 -98.0 -27.2 -5.2 -46.2 -13.7 35 39 A A E -D 27 0B 17 -8,-1.5 -8,-2.7 326,-0.1 2,-0.4 -0.979 47.7-155.7-159.0 148.7 -6.7 -44.6 -16.8 36 40 A I E +D 26 0B 44 -2,-0.3 -10,-0.2 -10,-0.2 326,-0.1 -0.949 38.5 159.4-127.1 109.8 -8.2 -41.4 -18.1 37 41 A I E -D 25 0B 28 -12,-2.0 -12,-3.0 -2,-0.4 5,-0.1 -0.840 48.7 -82.1-132.6 158.0 -10.3 -42.2 -21.2 38 42 A P E > -D 24 0B 58 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.398 46.0-120.9 -56.5 140.8 -13.2 -40.8 -23.3 39 43 A A G >> S+ 0 0 33 -16,-2.7 3,-0.8 1,-0.3 4,-0.6 0.738 110.9 65.8 -62.7 -23.0 -16.4 -41.7 -21.5 40 44 A A G 34 S+ 0 0 88 -17,-0.3 4,-0.3 1,-0.2 3,-0.3 0.819 99.6 50.8 -65.1 -33.0 -17.6 -43.6 -24.5 41 45 A D G <4 S+ 0 0 95 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.552 97.6 73.3 -79.5 -8.6 -14.8 -46.2 -23.9 42 46 A A T X4 S+ 0 0 2 -3,-0.8 3,-1.4 -4,-0.4 -1,-0.2 0.815 84.7 57.6 -82.7 -34.6 -15.7 -46.6 -20.3 43 47 A A T 3< S+ 0 0 82 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.1 0.775 101.4 61.1 -66.6 -24.9 -19.0 -48.6 -20.5 44 48 A G T 3 S+ 0 0 75 -4,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.525 96.7 76.1 -78.0 -6.7 -16.9 -51.2 -22.4 45 49 A L S < S- 0 0 57 -3,-1.4 2,-0.3 -4,-0.1 -40,-0.0 -0.757 83.2-120.7-104.1 153.3 -14.7 -51.6 -19.3 46 50 A E + 0 0 68 -2,-0.3 -44,-1.2 -42,-0.0 2,-0.3 -0.706 34.2 169.9 -96.1 145.8 -15.7 -53.5 -16.2 47 51 A A B -a 2 0A 26 -2,-0.3 -44,-0.2 -46,-0.2 3,-0.1 -0.996 43.2-132.6-153.8 146.7 -15.8 -51.9 -12.7 48 52 A D S S+ 0 0 116 -46,-2.1 2,-0.3 -2,-0.3 -44,-0.2 0.800 102.3 18.8 -67.8 -28.3 -17.0 -52.7 -9.2 49 53 A E - 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