==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-AUG-04 1WOP . 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 . 364 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 29.4 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 . 34 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 16.2 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 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 PARALLEL BRIDGES PER LADDER . 3 1 1 4 1 4 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 0 125 0, 0.0 22,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 155.4 19.8 11.7 14.1 2 2 A K B -a 23 0A 117 20,-3.0 22,-3.1 48,-0.0 2,-0.4 -0.480 360.0-151.8 -74.7 148.5 18.6 13.9 11.2 3 3 A R - 0 0 152 20,-0.2 22,-0.1 -2,-0.1 20,-0.0 -0.976 5.4-134.9-126.5 139.3 20.5 17.2 10.9 4 4 A T > - 0 0 8 20,-0.4 3,-1.8 -2,-0.4 4,-0.3 -0.351 37.5 -96.4 -83.1 170.6 19.2 20.4 9.4 5 5 A P T 3 S+ 0 0 54 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.608 125.5 52.1 -61.2 -13.9 21.2 22.6 7.0 6 6 A L T >> S+ 0 0 0 1,-0.1 4,-2.0 2,-0.1 3,-0.6 0.355 72.6 110.1-106.1 4.1 22.3 24.7 9.9 7 7 A F H <> S+ 0 0 31 -3,-1.8 4,-2.3 1,-0.3 5,-0.2 0.881 79.0 50.5 -44.8 -50.8 23.6 21.9 12.2 8 8 A E H 3> S+ 0 0 95 -4,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.873 107.5 54.4 -59.6 -38.3 27.2 23.0 11.8 9 9 A K H <> S+ 0 0 41 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.924 108.1 49.4 -61.7 -44.4 26.3 26.6 12.7 10 10 A H H <>S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 4,-0.3 0.933 112.7 46.6 -61.3 -46.3 24.6 25.4 15.9 11 11 A V H ><5S+ 0 0 72 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.938 111.4 50.7 -62.2 -46.5 27.7 23.3 16.9 12 12 A E H 3<5S+ 0 0 153 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.852 106.3 56.8 -59.7 -34.0 30.1 26.1 16.1 13 13 A L T 3<5S- 0 0 57 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.529 117.1-117.7 -74.8 -5.8 27.9 28.4 18.2 14 14 A G T < 5 + 0 0 56 -3,-2.0 -3,-0.2 -4,-0.3 -2,-0.1 0.742 52.5 169.5 76.5 25.5 28.5 25.9 21.1 15 15 A A < - 0 0 14 -5,-2.1 2,-0.8 1,-0.1 14,-0.2 -0.293 41.8-112.8 -70.7 153.3 24.8 25.0 21.5 16 16 A K E -B 28 0A 109 12,-2.5 11,-3.3 -2,-0.0 12,-0.8 -0.795 38.7-145.1 -86.4 113.9 23.7 22.1 23.7 17 17 A M E +B 26 0A 48 -2,-0.8 2,-0.3 9,-0.2 7,-0.1 -0.626 22.7 175.0 -87.5 139.9 22.3 19.6 21.2 18 18 A V E -B 25 0A 57 7,-3.5 7,-2.9 -2,-0.3 2,-0.8 -0.907 36.5-101.8-136.8 163.2 19.4 17.3 22.0 19 19 A D E +B 24 0A 91 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.795 39.6 176.2 -92.1 110.3 17.3 14.8 20.1 20 20 A F E > S-B 23 0A 82 3,-3.2 3,-2.1 -2,-0.8 -2,-0.0 -0.944 72.4 -27.7-118.9 113.3 13.9 16.3 19.1 21 21 A A T 3 S- 0 0 42 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.862 127.2 -48.9 53.2 37.7 11.6 14.1 17.0 22 22 A G T 3 S+ 0 0 25 1,-0.3 -20,-3.0 -21,-0.1 2,-0.4 0.501 116.7 119.0 82.1 3.5 14.7 12.3 15.6 23 23 A W E < -aB 2 20A 39 -3,-2.1 -3,-3.2 -22,-0.2 2,-1.2 -0.851 67.7-129.1-106.2 139.2 16.5 15.6 14.8 24 24 A E E + B 0 19A 32 -22,-3.1 -20,-0.4 -2,-0.4 -5,-0.2 -0.736 50.2 164.5 -85.0 100.1 19.8 16.7 16.4 25 25 A M E - B 0 18A 0 -7,-2.9 -7,-3.5 -2,-1.2 2,-0.5 -0.817 42.8-100.0-122.7 160.4 18.7 20.2 17.5 26 26 A P E - B 0 17A 2 0, 0.0 198,-2.7 0, 0.0 199,-0.3 -0.645 21.2-171.0 -81.6 122.6 19.9 23.0 19.8 27 27 A L E S- 0 0 41 -11,-3.3 198,-2.1 -2,-0.5 199,-0.6 0.888 75.6 -28.8 -74.2 -40.8 18.1 23.1 23.2 28 28 A Y E - B 0 16A 68 -12,-0.8 -12,-2.5 195,-0.1 -1,-0.4 -0.970 42.5-148.3-167.0 163.8 19.8 26.4 23.9 29 29 A Y S S- 0 0 23 192,-0.3 -1,-0.1 -2,-0.3 193,-0.1 0.765 99.0 -3.9-106.0 -47.6 23.0 28.3 23.0 30 30 A T S S- 0 0 65 1,-0.3 2,-0.3 191,-0.2 3,-0.1 0.752 128.1 -39.1-109.5 -65.8 23.5 30.3 26.2 31 31 A S > - 0 0 42 1,-0.1 4,-2.1 -4,-0.1 -1,-0.3 -0.967 44.9-116.8-162.8 151.3 20.5 29.5 28.4 32 32 A I H > S+ 0 0 48 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.934 115.3 50.6 -58.8 -45.1 16.7 29.0 28.0 33 33 A F H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.938 109.1 49.1 -58.8 -50.9 15.9 32.0 30.1 34 34 A E H > S+ 0 0 61 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 113.2 48.3 -56.9 -41.0 18.3 34.4 28.2 35 35 A E H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.871 109.5 51.3 -69.9 -36.8 16.8 33.2 24.9 36 36 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.922 109.6 50.9 -65.5 -42.6 13.2 33.6 26.0 37 37 A M H X S+ 0 0 108 -4,-2.6 4,-1.8 1,-0.2 5,-0.4 0.830 105.5 55.9 -64.6 -30.5 14.0 37.2 27.2 38 38 A A H X S+ 0 0 7 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.897 109.0 47.5 -67.1 -39.0 15.5 37.9 23.8 39 39 A V H < S+ 0 0 0 -4,-1.6 -2,-0.2 4,-0.2 -1,-0.2 0.882 116.7 43.6 -67.0 -38.2 12.2 36.9 22.2 40 40 A R H < S+ 0 0 30 -4,-2.1 -2,-0.2 108,-0.2 -1,-0.2 0.678 128.5 25.8 -80.6 -20.6 10.3 39.0 24.7 41 41 A K H < S- 0 0 150 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.774 135.5 -15.9-113.9 -40.4 12.5 42.1 24.5 42 42 A S S < S- 0 0 4 -4,-2.2 108,-2.4 -5,-0.4 109,-0.4 0.393 103.4 -41.7-129.6 -90.4 14.4 42.2 21.2 43 43 A V - 0 0 0 175,-0.2 177,-2.5 105,-0.2 2,-0.4 -0.960 35.1-165.6-157.9 136.2 14.6 39.2 18.8 44 44 A G E -Cd 147 220B 0 103,-3.4 103,-2.7 -2,-0.3 2,-0.5 -0.976 15.2-151.2-120.1 134.3 15.2 35.5 19.0 45 45 A M E -Cd 146 221B 0 175,-2.1 177,-3.9 -2,-0.4 2,-0.4 -0.928 12.8-166.5-110.2 128.1 16.1 33.5 15.9 46 46 A F E -C 145 0B 1 99,-3.2 99,-2.5 -2,-0.5 2,-0.8 -0.915 20.4-139.8-116.9 138.7 15.1 29.9 15.6 47 47 A D E +C 144 0B 4 175,-0.5 97,-0.2 -2,-0.4 3,-0.1 -0.852 31.9 163.3 -91.7 111.7 16.2 27.2 13.2 48 48 A V > + 0 0 0 95,-2.4 3,-1.4 -2,-0.8 96,-0.1 -0.177 25.8 129.5-121.9 40.8 12.9 25.3 12.6 49 49 A S T 3 + 0 0 5 1,-0.3 92,-0.1 93,-0.1 -1,-0.1 0.459 59.1 74.7 -73.9 -2.2 14.0 23.5 9.4 50 50 A H T 3 S+ 0 0 3 93,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.656 75.4 100.4 -82.9 -17.1 12.9 20.1 10.8 51 51 A M S < S- 0 0 5 -3,-1.4 2,-0.3 92,-0.1 61,-0.2 -0.301 76.3-120.0 -65.2 151.9 9.3 21.2 10.2 52 52 A G E -I 111 0C 0 59,-1.9 59,-2.4 87,-0.0 2,-0.4 -0.674 19.8-159.7-100.2 154.1 7.7 19.7 7.0 53 53 A E E -I 110 0C 0 -2,-0.3 84,-2.1 57,-0.2 85,-0.6 -0.994 4.8-168.2-133.3 126.9 6.4 21.5 4.0 54 54 A F E -IJ 109 136C 0 55,-2.9 55,-2.9 -2,-0.4 2,-0.5 -0.888 10.3-147.3-114.1 145.9 3.9 20.0 1.5 55 55 A L E -IJ 108 135C 25 80,-3.3 80,-2.7 -2,-0.4 2,-0.6 -0.944 6.5-165.6-114.8 130.2 3.0 21.5 -1.9 56 56 A V E +IJ 107 134C 0 51,-2.7 51,-2.0 -2,-0.5 2,-0.4 -0.952 16.4 177.7-116.5 109.3 -0.4 21.1 -3.4 57 57 A K E +IJ 106 133C 119 76,-2.6 76,-2.4 -2,-0.6 49,-0.2 -0.932 26.8 73.3-117.2 138.2 -0.5 22.0 -7.1 58 58 A G S > S- 0 0 13 47,-2.1 3,-1.9 -2,-0.4 4,-0.2 -0.678 85.6 -71.6 143.9 162.0 -3.4 21.8 -9.5 59 59 A P T 3 S+ 0 0 80 0, 0.0 3,-0.3 0, 0.0 73,-0.2 0.759 127.9 45.1 -52.6 -31.2 -6.7 23.4 -10.6 60 60 A E T 3> S+ 0 0 80 71,-2.0 4,-2.2 1,-0.2 5,-0.2 0.014 71.9 120.3-107.7 30.8 -8.5 22.1 -7.5 61 61 A A H <> S+ 0 0 0 -3,-1.9 4,-2.3 43,-0.5 5,-0.2 0.907 77.0 50.0 -57.8 -44.0 -5.9 23.0 -4.9 62 62 A V H > S+ 0 0 32 42,-0.8 4,-2.6 -3,-0.3 5,-0.2 0.967 112.2 43.0 -61.7 -57.1 -8.3 25.2 -3.0 63 63 A S H > S+ 0 0 56 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.860 113.6 54.7 -59.7 -34.8 -11.3 22.8 -2.8 64 64 A F H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 3,-0.4 0.955 110.7 43.4 -63.4 -50.6 -8.8 20.0 -1.8 65 65 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.916 112.1 54.4 -60.9 -42.7 -7.3 21.9 1.1 66 66 A D H < S+ 0 0 21 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.774 108.8 49.5 -63.4 -25.0 -10.8 23.0 2.1 67 67 A F H < S+ 0 0 58 -4,-1.3 198,-2.4 -3,-0.4 -1,-0.2 0.824 115.1 43.8 -81.1 -34.1 -11.8 19.4 2.2 68 68 A L H < S+ 0 0 0 -4,-1.8 19,-0.6 196,-0.2 -2,-0.2 0.897 108.7 56.1 -78.5 -45.8 -8.8 18.4 4.3 69 69 A I B < S-K 86 0C 0 -4,-2.8 17,-0.2 17,-0.2 4,-0.2 -0.521 72.3-133.9 -92.9 160.1 -8.7 21.1 6.9 70 70 A T S S+ 0 0 0 15,-2.2 189,-2.4 -2,-0.2 192,-0.2 0.790 81.8 80.5 -80.2 -29.3 -11.3 22.3 9.4 71 71 A N S S- 0 0 11 14,-0.4 2,-0.9 187,-0.2 -2,-0.1 -0.264 95.4 -91.5 -76.6 166.4 -10.9 26.0 8.8 72 72 A D + 0 0 47 1,-0.2 3,-0.1 2,-0.1 4,-0.1 -0.680 54.3 153.0 -86.3 104.5 -12.4 27.9 5.9 73 73 A F > + 0 0 2 -2,-0.9 3,-0.6 -4,-0.2 -1,-0.2 0.577 48.9 95.3-101.6 -15.1 -9.9 28.0 3.0 74 74 A S T 3 S+ 0 0 71 1,-0.2 -1,-0.1 -8,-0.1 -11,-0.1 0.750 100.6 20.7 -49.4 -34.1 -12.6 28.3 0.2 75 75 A S T 3 S+ 0 0 91 -3,-0.1 -1,-0.2 -13,-0.1 -2,-0.1 0.426 83.2 134.2-119.1 -1.0 -12.4 32.0 0.0 76 76 A L < - 0 0 26 -3,-0.6 3,-0.1 -4,-0.1 -3,-0.0 -0.277 54.1-129.3 -50.5 127.3 -9.0 32.8 1.5 77 77 A P > - 0 0 77 0, 0.0 3,-1.5 0, 0.0 24,-0.2 -0.302 32.9 -73.6 -79.5 167.1 -7.4 35.3 -0.9 78 78 A D T 3 S+ 0 0 99 1,-0.2 24,-0.2 22,-0.1 25,-0.1 -0.234 118.0 26.5 -56.5 145.0 -3.9 35.1 -2.5 79 79 A G T 3 S+ 0 0 21 22,-2.3 92,-2.1 1,-0.3 2,-0.3 0.445 95.0 121.2 81.3 -0.5 -1.0 35.9 -0.1 80 80 A K E < -ML 170 101C 38 -3,-1.5 21,-3.1 21,-0.6 -1,-0.3 -0.735 44.6-160.4 -99.6 146.9 -3.0 34.8 3.0 81 81 A A E - L 0 100C 2 88,-2.7 2,-0.3 -2,-0.3 19,-0.2 -0.775 7.8-159.4-116.6 163.5 -2.0 32.0 5.4 82 82 A I E - L 0 99C 18 17,-1.9 17,-2.3 -2,-0.3 2,-0.4 -0.990 13.8-135.3-151.4 137.9 -4.3 30.3 7.8 83 83 A Y E + L 0 98C 10 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.753 43.5 140.6 -91.5 137.3 -4.0 28.2 11.1 84 84 A S E - L 0 97C 0 13,-2.5 13,-2.8 -2,-0.4 2,-0.3 -0.946 43.5-115.6-161.4 178.5 -6.0 25.1 11.3 85 85 A V E - L 0 96C 0 172,-0.4 -15,-2.2 -2,-0.3 2,-0.4 -0.797 18.5-142.0-120.6 164.1 -6.3 21.4 12.3 86 86 A M E -KL 69 95C 0 9,-2.0 8,-3.0 -2,-0.3 9,-1.2 -0.997 24.7-164.1-130.1 121.7 -6.7 18.4 10.1 87 87 A C E - 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