==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-AUG-04 1WOO . COMPND 2 MOLECULE: AMINOMETHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR H.H.LEE,D.J.KIM,H.J.AHN,J.Y.HA,S.W.SUH . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 29.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 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 . 38 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 1 1 0 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 PARALLEL BRIDGES PER LADDER . 3 1 1 4 2 3 1 3 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 1 0 0 0 3 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 0 130 0, 0.0 22,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 166.2 19.6 11.6 14.3 2 2 A K B -a 23 0A 118 20,-3.3 22,-3.7 48,-0.0 2,-0.4 -0.621 360.0-152.6 -86.3 151.9 18.5 13.9 11.4 3 3 A R - 0 0 145 -2,-0.2 22,-0.1 20,-0.2 20,-0.0 -0.992 7.4-134.3-130.9 133.1 20.3 17.2 11.0 4 4 A T > - 0 0 6 20,-0.4 3,-2.0 -2,-0.4 4,-0.3 -0.281 38.4 -99.8 -74.8 167.6 19.0 20.4 9.5 5 5 A P T 3 S+ 0 0 55 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.510 124.8 57.1 -67.8 -0.3 21.2 22.4 7.0 6 6 A L T 3> S+ 0 0 0 1,-0.1 4,-2.1 2,-0.1 3,-0.5 0.339 71.8 107.6-108.8 3.7 22.0 24.6 10.0 7 7 A F H <> S+ 0 0 32 -3,-2.0 4,-2.4 1,-0.2 5,-0.2 0.907 78.1 50.8 -44.7 -55.4 23.4 21.8 12.2 8 8 A E H > S+ 0 0 97 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.856 107.3 53.6 -54.4 -41.0 27.0 22.9 11.8 9 9 A K H > S+ 0 0 42 -3,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.934 109.6 48.8 -62.1 -44.1 26.1 26.5 12.7 10 10 A H H <>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 -2,-0.2 0.905 112.4 47.6 -62.2 -42.8 24.5 25.3 15.9 11 11 A V H ><5S+ 0 0 70 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.915 111.4 49.6 -65.0 -43.6 27.5 23.2 16.8 12 12 A E H 3<5S+ 0 0 155 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.724 105.5 59.5 -68.7 -20.6 30.0 26.0 16.1 13 13 A L T 3<5S- 0 0 56 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.481 116.1-117.2 -84.3 -3.7 27.8 28.2 18.3 14 14 A G T < 5 + 0 0 57 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.683 52.9 168.0 77.4 20.7 28.4 25.8 21.2 15 15 A A < - 0 0 14 -5,-2.0 2,-0.6 1,-0.1 14,-0.2 -0.268 40.2-117.4 -67.8 150.1 24.7 24.8 21.6 16 16 A K E -B 28 0A 106 12,-2.0 11,-2.9 1,-0.0 12,-0.8 -0.803 36.7-138.0 -86.5 122.4 23.7 21.9 23.8 17 17 A M E -B 26 0A 48 -2,-0.6 2,-0.3 9,-0.2 7,-0.1 -0.519 22.1-176.0 -85.5 152.4 22.0 19.4 21.5 18 18 A V E -B 25 0A 48 7,-2.8 7,-2.6 -2,-0.2 2,-0.9 -0.941 31.7-112.8-139.7 155.7 18.8 17.4 22.3 19 19 A D E +B 24 0A 99 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.845 40.0 175.3 -96.5 107.3 17.0 14.7 20.3 20 20 A F E > -B 23 0A 76 3,-2.4 3,-2.4 -2,-0.9 -2,-0.0 -0.948 68.6 -27.1-117.7 115.4 13.7 16.2 19.2 21 21 A A T 3 S- 0 0 39 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.825 125.3 -50.2 52.7 36.4 11.4 14.1 17.0 22 22 A G T 3 S+ 0 0 27 1,-0.3 -20,-3.3 -21,-0.0 2,-0.3 0.389 116.4 115.8 85.9 -4.4 14.4 12.3 15.5 23 23 A W E < -aB 2 20A 37 -3,-2.4 -3,-2.4 -22,-0.2 2,-1.0 -0.763 69.5-127.4-101.3 145.9 16.3 15.5 14.8 24 24 A E E + B 0 19A 35 -22,-3.7 -20,-0.4 -2,-0.3 -5,-0.2 -0.799 50.2 166.2 -88.8 103.5 19.6 16.7 16.4 25 25 A M E - B 0 18A 0 -7,-2.6 -7,-2.8 -2,-1.0 2,-0.5 -0.856 42.1-100.0-125.0 159.6 18.5 20.1 17.5 26 26 A P E - B 0 17A 4 0, 0.0 198,-2.6 0, 0.0 199,-0.3 -0.633 21.5-171.1 -79.3 120.2 19.7 22.9 19.8 27 27 A L E S- 0 0 37 -11,-2.9 198,-2.1 -2,-0.5 199,-0.6 0.923 75.9 -31.4 -71.0 -44.4 18.0 22.9 23.2 28 28 A Y E - B 0 16A 71 -12,-0.8 -12,-2.0 195,-0.2 -1,-0.4 -0.957 44.8-147.5-163.7 166.4 19.7 26.3 23.9 29 29 A Y S S- 0 0 23 -2,-0.3 -1,-0.1 192,-0.3 3,-0.1 0.764 96.9 -2.9-107.8 -54.2 22.9 28.1 23.1 30 30 A T S S- 0 0 64 1,-0.3 2,-0.3 -15,-0.1 3,-0.1 0.820 128.8 -39.6-101.4 -66.8 23.5 30.2 26.2 31 31 A S > - 0 0 42 1,-0.1 4,-1.9 -4,-0.0 -1,-0.3 -0.969 44.2-118.0-162.0 152.4 20.6 29.5 28.4 32 32 A I H > S+ 0 0 54 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.907 113.5 51.5 -60.8 -44.5 16.8 29.0 28.0 33 33 A F H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.961 109.6 48.9 -57.2 -54.9 16.0 32.1 30.2 34 34 A E H > S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.874 112.9 48.0 -54.3 -41.0 18.2 34.4 28.2 35 35 A E H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.875 109.0 51.7 -71.9 -37.3 16.8 33.2 24.9 36 36 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.944 110.1 51.5 -63.4 -43.4 13.2 33.6 26.0 37 37 A M H X S+ 0 0 100 -4,-2.6 4,-1.9 2,-0.2 5,-0.4 0.808 104.1 56.0 -63.7 -29.6 14.0 37.1 27.1 38 38 A A H X S+ 0 0 6 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.950 110.9 45.4 -65.7 -45.0 15.6 37.9 23.7 39 39 A V H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.905 117.0 44.8 -61.5 -42.9 12.2 36.9 22.1 40 40 A R H < S+ 0 0 28 -4,-2.5 -1,-0.2 108,-0.1 -2,-0.2 0.690 128.0 26.3 -75.8 -22.0 10.3 38.9 24.7 41 41 A K H < S- 0 0 136 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.799 136.6 -17.8-111.0 -44.6 12.5 42.0 24.5 42 42 A S S < S- 0 0 2 -4,-2.6 108,-2.7 -5,-0.4 109,-0.5 0.488 103.2 -41.9-127.3 -84.5 14.2 42.2 21.1 43 43 A V - 0 0 0 105,-0.2 177,-2.1 107,-0.2 2,-0.4 -0.955 35.1-162.3-161.5 139.7 14.4 39.2 18.7 44 44 A G E -Cd 147 220B 0 103,-3.7 103,-2.8 -2,-0.3 2,-0.5 -0.990 15.4-147.1-124.4 129.4 15.1 35.5 18.9 45 45 A M E -Cd 146 221B 0 175,-2.0 177,-3.6 -2,-0.4 2,-0.4 -0.869 16.4-166.2-100.8 125.6 16.1 33.5 15.7 46 46 A F E -Cd 145 222B 2 99,-3.7 99,-2.6 -2,-0.5 2,-0.8 -0.917 18.9-141.7-113.6 137.0 14.9 29.9 15.6 47 47 A D E +C 144 0B 5 175,-0.6 97,-0.2 -2,-0.4 3,-0.2 -0.853 31.5 162.6 -93.3 109.8 16.0 27.2 13.2 48 48 A V > + 0 0 0 95,-2.0 3,-1.7 -2,-0.8 96,-0.2 -0.080 27.4 126.0-119.5 35.3 12.8 25.3 12.6 49 49 A S T 3 + 0 0 6 1,-0.3 92,-0.1 94,-0.2 -1,-0.1 0.533 58.3 78.6 -71.3 -4.3 13.9 23.4 9.4 50 50 A H T 3 S+ 0 0 4 -3,-0.2 -1,-0.3 93,-0.1 -2,-0.1 0.689 76.9 93.2 -76.7 -16.9 12.9 20.2 11.1 51 51 A M S < S- 0 0 16 -3,-1.7 2,-0.3 92,-0.1 61,-0.2 -0.332 79.1-114.9 -73.8 160.0 9.2 21.0 10.2 52 52 A G E -I 111 0C 0 59,-1.9 59,-2.3 -2,-0.0 2,-0.4 -0.730 18.6-159.7-103.3 148.9 7.7 19.7 7.0 53 53 A E E -I 110 0C 0 -2,-0.3 84,-2.4 57,-0.2 85,-0.7 -0.988 7.9-168.7-125.2 126.7 6.4 21.5 4.0 54 54 A F E -IJ 109 136C 0 55,-3.1 55,-2.5 -2,-0.4 2,-0.5 -0.889 11.0-145.3-113.0 145.7 4.0 19.9 1.5 55 55 A L E -IJ 108 135C 21 80,-3.4 80,-2.2 -2,-0.4 2,-0.6 -0.948 8.4-166.8-116.4 127.5 3.1 21.3 -1.9 56 56 A V E +IJ 107 134C 0 51,-2.5 51,-2.3 -2,-0.5 2,-0.4 -0.952 14.4 176.0-113.6 114.7 -0.3 21.0 -3.4 57 57 A K E +IJ 106 133C 112 76,-2.4 76,-2.5 -2,-0.6 49,-0.2 -0.963 27.9 74.8-122.0 138.8 -0.5 21.9 -7.1 58 58 A G S > S- 0 0 13 47,-2.3 3,-1.8 -2,-0.4 4,-0.2 -0.639 85.1 -73.6 142.9 160.1 -3.4 21.7 -9.5 59 59 A P T 3 S+ 0 0 81 0, 0.0 3,-0.2 0, 0.0 73,-0.1 0.733 127.7 45.2 -53.5 -28.5 -6.8 23.2 -10.5 60 60 A E T 3> S+ 0 0 80 71,-1.6 4,-1.9 1,-0.2 5,-0.2 -0.036 72.6 121.7-110.3 33.7 -8.5 21.9 -7.3 61 61 A A H <> S+ 0 0 1 -3,-1.8 4,-2.2 43,-0.6 5,-0.2 0.926 75.3 50.4 -58.3 -47.9 -5.8 22.9 -4.8 62 62 A V H > S+ 0 0 32 42,-0.8 4,-2.7 -3,-0.2 5,-0.2 0.968 111.9 43.3 -56.5 -60.2 -8.2 25.0 -2.8 63 63 A S H > S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.790 111.2 56.5 -60.1 -30.0 -11.1 22.5 -2.5 64 64 A F H >X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 3,-0.5 0.980 111.7 41.3 -65.2 -54.7 -8.6 19.7 -1.6 65 65 A I H 3X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.908 113.5 54.9 -58.3 -40.2 -7.1 21.6 1.3 66 66 A D H 3< S+ 0 0 20 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.811 107.4 50.8 -63.6 -28.9 -10.7 22.7 2.2 67 67 A F H << S+ 0 0 62 -4,-1.6 198,-2.2 -3,-0.5 -1,-0.2 0.824 116.2 40.9 -76.1 -33.2 -11.7 19.1 2.3 68 68 A L H < S+ 0 0 0 -4,-1.8 19,-0.7 196,-0.2 2,-0.2 0.886 107.5 61.8 -83.6 -44.4 -8.8 18.1 4.6 69 69 A I B < S-K 86 0C 0 -4,-3.0 17,-0.2 -5,-0.2 4,-0.2 -0.559 70.9-137.4 -91.0 152.5 -8.6 21.0 7.0 70 70 A T S S+ 0 0 0 15,-2.4 189,-2.3 -2,-0.2 192,-0.2 0.758 82.2 79.3 -76.5 -25.4 -11.3 22.1 9.5 71 71 A N S S- 0 0 13 14,-0.4 2,-1.2 187,-0.2 3,-0.2 -0.381 96.7 -94.1 -83.0 163.7 -10.8 25.7 8.8 72 72 A D + 0 0 44 1,-0.2 3,-0.3 -2,-0.1 4,-0.3 -0.638 52.4 156.1 -83.3 94.9 -12.2 27.6 5.8 73 73 A F > + 0 0 1 -2,-1.2 3,-0.8 -4,-0.2 -1,-0.2 0.706 61.2 78.2 -87.2 -24.6 -9.5 27.6 3.2 74 74 A S T 3 S+ 0 0 71 1,-0.2 -1,-0.2 -3,-0.2 -11,-0.1 0.757 97.3 44.8 -58.1 -25.2 -12.0 28.1 0.3 75 75 A S T 3 S+ 0 0 74 -3,-0.3 -1,-0.2 -13,-0.1 -2,-0.2 0.654 84.1 114.7 -95.4 -15.6 -12.4 31.8 1.1 76 76 A L < - 0 0 25 -3,-0.8 2,-0.2 -4,-0.3 3,-0.1 -0.289 57.5-142.2 -58.8 134.8 -8.7 32.6 1.6 77 77 A P > - 0 0 77 0, 0.0 3,-1.1 0, 0.0 24,-0.2 -0.597 39.1 -68.9 -94.6 160.1 -7.3 35.0 -1.0 78 78 A D T 3 S+ 0 0 94 1,-0.2 24,-0.2 -2,-0.2 25,-0.1 -0.046 120.2 25.0 -45.9 144.9 -3.8 34.8 -2.5 79 79 A G T 3 S+ 0 0 20 22,-2.3 92,-1.9 1,-0.3 2,-0.4 0.628 96.4 119.3 73.1 13.2 -0.9 35.6 -0.1 80 80 A K E < -ML 170 101C 37 -3,-1.1 21,-2.8 21,-0.8 -1,-0.3 -0.898 45.1-162.3-113.3 142.1 -3.0 34.6 2.9 81 81 A A E - L 0 100C 2 88,-2.4 2,-0.3 -2,-0.4 19,-0.2 -0.753 3.5-158.0-115.5 165.3 -2.2 31.9 5.4 82 82 A I E - L 0 99C 19 17,-1.6 17,-1.8 -2,-0.3 2,-0.3 -0.960 14.3-134.5-151.9 129.7 -4.4 30.1 7.9 83 83 A Y E + L 0 98C 42 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.632 44.9 145.4 -80.7 137.6 -3.9 28.2 11.1 84 84 A S E - L 0 97C 0 13,-2.5 13,-3.0 -2,-0.3 2,-0.3 -0.932 41.5-117.9-159.2-180.0 -5.9 25.0 11.3 85 85 A V E - L 0 96C 0 172,-0.4 -15,-2.4 -2,-0.3 2,-0.4 -0.881 17.9-140.1-127.0 156.9 -6.2 21.4 12.4 86 86 A M E -KL 69 95C 0 9,-2.6 8,-2.6 -2,-0.3 9,-1.2 -0.989 22.6-164.2-120.0 127.9 -6.7 18.2 10.3 87 87 A C E - 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