==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-SEP-04 1VMJ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TM0723; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.7 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 . 8 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0 0 0 0 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 1 0 2 1 0 1 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 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 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 0 178 0, 0.0 2,-0.3 0, 0.0 138,-0.2 0.000 360.0 360.0 360.0 138.2 38.4 43.3 38.1 2 2 A K E -A 138 0A 82 136,-3.0 136,-2.1 31,-0.0 2,-0.3 -0.680 360.0-176.2 -97.1 150.5 37.5 46.9 38.3 3 3 A S E -A 137 0A 73 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.981 4.7-169.0-142.0 155.4 39.9 49.8 38.4 4 4 A Y E -A 136 0A 29 132,-2.0 132,-2.6 -2,-0.3 2,-0.3 -0.995 2.1-173.5-145.0 140.8 39.6 53.5 38.8 5 5 A R E +A 135 0A 128 -2,-0.3 2,-0.3 130,-0.2 130,-0.2 -0.998 8.7 164.4-139.0 139.0 42.0 56.4 38.4 6 6 A K E -A 134 0A 88 128,-2.3 128,-2.5 -2,-0.3 2,-0.5 -0.946 23.6-146.1-151.6 134.6 41.8 60.1 39.1 7 7 A E E -A 133 0A 34 -2,-0.3 2,-0.5 126,-0.2 126,-0.2 -0.860 13.6-157.6 -95.5 133.2 44.3 62.9 39.4 8 8 A L E -A 132 0A 21 124,-3.0 124,-2.5 -2,-0.5 2,-0.3 -0.949 12.9-150.4-108.4 128.8 43.5 65.6 41.9 9 9 A W E -A 131 0A 157 -2,-0.5 2,-0.3 122,-0.2 122,-0.2 -0.779 13.5-174.8-108.5 146.7 45.3 68.9 41.3 10 10 A F E -A 130 0A 24 120,-2.8 120,-2.8 -2,-0.3 2,-0.2 -0.958 16.5-178.6-135.7 148.2 46.4 71.6 43.8 11 11 A H - 0 0 124 -2,-0.3 2,-0.1 118,-0.2 115,-0.1 -0.743 26.5-154.2-144.1 92.4 47.9 75.0 43.5 12 12 A T - 0 0 3 116,-0.5 115,-0.4 -2,-0.2 -2,-0.0 -0.401 17.9-135.3 -78.0 151.1 48.4 76.3 47.0 13 13 A K S S+ 0 0 161 -2,-0.1 2,-0.2 113,-0.1 -1,-0.1 0.843 89.2 33.9 -67.5 -35.2 48.5 80.0 47.9 14 14 A R S S- 0 0 157 2,-0.1 113,-0.4 1,-0.1 112,-0.2 -0.678 91.6-101.3-120.1 173.2 51.6 79.5 50.1 15 15 A R S S+ 0 0 36 -2,-0.2 111,-2.4 111,-0.2 2,-0.4 0.876 106.7 30.7 -60.4 -45.2 54.6 77.3 50.2 16 16 A R S S+ 0 0 49 109,-0.2 2,-0.3 108,-0.1 108,-0.2 -0.969 70.4 148.2-122.6 141.3 53.3 74.9 52.8 17 17 A E E -E 123 0B 75 106,-1.8 106,-2.8 -2,-0.4 2,-0.5 -0.958 35.1-138.3-165.4 144.0 49.6 73.9 53.4 18 18 A F E -E 122 0B 38 -2,-0.3 2,-0.5 104,-0.2 104,-0.2 -0.965 23.4-169.5-106.2 131.1 47.6 71.0 54.7 19 19 A I E -E 121 0B 41 102,-2.6 102,-2.6 -2,-0.5 2,-0.6 -0.984 21.9-131.2-123.9 123.1 44.4 70.3 52.7 20 20 A N E +E 120 0B 42 -2,-0.5 100,-0.3 100,-0.2 4,-0.1 -0.622 30.6 171.1 -72.7 115.2 41.7 67.9 53.8 21 21 A I >> + 0 0 0 98,-2.7 4,-2.1 -2,-0.6 3,-0.8 0.309 41.7 110.8-108.1 6.8 41.0 65.7 50.7 22 22 A T H 3> S+ 0 0 2 97,-1.0 4,-2.4 1,-0.3 5,-0.2 0.895 76.6 51.5 -51.0 -47.9 38.7 63.2 52.4 23 23 A P H 3> S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.822 108.0 52.8 -62.6 -29.3 35.5 64.3 50.6 24 24 A L H <> S+ 0 0 78 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.940 109.7 48.2 -68.1 -46.8 37.3 64.1 47.2 25 25 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.892 107.2 56.9 -59.1 -39.5 38.3 60.5 47.9 26 26 A E H X S+ 0 0 108 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.913 107.7 47.9 -57.9 -41.9 34.8 59.7 49.0 27 27 A E H X S+ 0 0 92 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.886 109.9 52.4 -70.3 -37.1 33.5 60.9 45.6 28 28 A C H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 111.6 46.6 -56.6 -48.3 36.2 58.8 43.8 29 29 A V H X S+ 0 0 2 -4,-2.8 4,-0.8 1,-0.2 5,-0.5 0.936 113.2 49.6 -63.1 -43.5 35.1 55.7 45.7 30 30 A R H >< S+ 0 0 129 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.952 113.4 43.7 -62.7 -50.5 31.5 56.4 45.0 31 31 A E H 3< S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.806 103.3 66.8 -70.4 -24.6 31.9 56.9 41.3 32 32 A S H 3< S- 0 0 21 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.761 90.2-145.1 -61.6 -29.2 34.2 53.9 40.9 33 33 A G << + 0 0 34 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.1 0.517 46.3 148.5 70.9 5.1 31.4 51.5 41.8 34 34 A I - 0 0 0 -5,-0.5 -1,-0.2 1,-0.2 3,-0.1 -0.579 28.2-175.2 -75.3 129.7 33.9 49.3 43.6 35 35 A K S S+ 0 0 92 -2,-0.3 74,-2.3 104,-0.3 75,-0.4 0.865 72.1 18.0 -90.7 -44.0 32.4 47.5 46.5 36 36 A E S S+ 0 0 75 103,-2.6 103,-2.3 71,-0.2 -1,-0.3 -0.999 90.4 87.2-133.8 130.0 35.5 45.8 48.0 37 37 A G E -BC 106 138A 19 69,-2.2 69,-2.6 -2,-0.4 2,-0.4 -0.963 65.6 -72.5 176.1-162.8 39.1 46.7 47.2 38 38 A L E -BC 105 137A 98 99,-2.1 99,-2.2 -2,-0.3 2,-0.5 -0.995 30.2-154.9-129.4 138.4 42.1 48.8 48.0 39 39 A L E -BC 104 136A 0 65,-2.9 65,-2.8 -2,-0.4 2,-0.4 -0.945 4.9-163.0-112.6 129.1 42.6 52.5 47.3 40 40 A L E -BC 103 135A 52 95,-3.2 95,-2.6 -2,-0.5 2,-0.4 -0.941 7.6-178.8-105.2 134.9 46.0 54.1 46.9 41 41 A C E +BC 102 134A 0 61,-2.6 61,-2.2 -2,-0.4 2,-0.3 -0.960 14.7 164.8-134.0 119.8 46.3 57.8 47.2 42 42 A N E -BC 101 133A 5 91,-2.1 91,-2.9 -2,-0.4 2,-0.4 -0.952 42.3-109.3-137.0 150.3 49.8 59.3 46.7 43 43 A A E - C 0 132A 1 57,-2.4 89,-0.2 -2,-0.3 7,-0.1 -0.640 22.0-157.5 -69.6 130.2 51.6 62.6 46.0 44 44 A M S S+ 0 0 76 87,-2.6 2,-0.3 -2,-0.4 88,-0.1 0.507 75.4 72.6 -87.4 -7.1 52.9 62.5 42.4 45 45 A H S > S- 0 0 45 86,-0.5 3,-0.9 55,-0.1 -2,-0.1 -0.829 80.8-134.7-110.4 149.8 55.5 65.1 43.4 46 46 A I T 3 S+ 0 0 105 -2,-0.3 49,-0.1 1,-0.3 50,-0.1 0.281 100.6 58.7 -92.9 11.2 58.5 64.4 45.5 47 47 A T T 3 S+ 0 0 3 48,-0.1 77,-1.2 78,-0.1 2,-0.3 -0.006 101.4 60.9-123.6 22.3 58.1 67.5 47.7 48 48 A A E < -F 123 0B 0 -3,-0.9 2,-0.3 75,-0.2 75,-0.2 -0.938 64.3-145.1-148.4 165.6 54.6 66.7 49.0 49 49 A S E -F 122 0B 0 73,-2.6 73,-3.0 -2,-0.3 2,-0.4 -0.910 12.6-151.5-130.4 156.2 52.7 64.1 51.0 50 50 A V E +F 121 0B 0 49,-0.9 2,-0.3 -2,-0.3 71,-0.2 -0.998 39.6 151.0-122.6 127.9 49.4 62.3 51.3 51 51 A F E -F 120 0B 12 69,-2.0 69,-3.2 -2,-0.4 2,-0.5 -0.939 40.2-120.9-149.6 165.3 48.8 61.2 54.9 52 52 A I E +F 119 0B 39 -2,-0.3 2,-0.3 67,-0.2 67,-0.2 -0.974 50.4 113.4-115.7 127.7 46.0 60.5 57.4 53 53 A N E -F 118 0B 68 65,-2.0 65,-1.1 -2,-0.5 2,-0.2 -0.875 62.1 -39.9-164.9-158.6 45.6 62.3 60.7 54 54 A D - 0 0 59 -2,-0.3 2,-1.2 63,-0.1 63,-0.1 -0.522 35.4-138.8 -82.0 143.9 43.3 64.7 62.6 55 55 A D + 0 0 84 61,-0.3 -1,-0.1 -2,-0.2 64,-0.0 -0.746 60.7 125.9 -93.9 83.2 41.6 67.7 61.1 56 56 A E > - 0 0 79 -2,-1.2 4,-1.9 1,-0.1 3,-0.2 -0.982 59.2-139.7-143.4 126.2 42.3 70.0 64.1 57 57 A P H > S+ 0 0 100 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.834 100.8 56.2 -63.2 -35.8 44.0 73.4 63.7 58 58 A G H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.932 109.4 47.2 -58.8 -45.8 46.1 73.1 66.8 59 59 A L H > S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.887 108.3 54.6 -66.1 -37.8 47.6 69.8 65.5 60 60 A H H X S+ 0 0 33 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.926 109.3 48.5 -59.9 -43.3 48.2 71.3 62.1 61 61 A H H X S+ 0 0 119 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.930 110.0 52.3 -58.8 -45.1 50.2 74.0 63.8 62 62 A D H X S+ 0 0 87 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.906 107.7 50.9 -61.3 -40.5 52.1 71.4 65.7 63 63 A F H X S+ 0 0 26 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.911 109.5 51.7 -62.2 -43.0 53.0 69.5 62.6 64 64 A E H X S+ 0 0 59 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.951 113.2 43.6 -56.9 -50.2 54.3 72.7 61.0 65 65 A V H X S+ 0 0 79 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.918 116.3 48.1 -62.0 -43.8 56.5 73.5 64.0 66 66 A W H X S+ 0 0 117 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.915 110.6 49.0 -67.1 -42.6 57.7 69.9 64.3 67 67 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.835 109.0 53.7 -68.2 -33.5 58.6 69.5 60.6 68 68 A E H < S+ 0 0 55 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.818 110.4 48.5 -67.7 -32.3 60.5 72.7 60.8 69 69 A K H < S+ 0 0 121 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.914 118.0 38.9 -69.3 -45.3 62.5 71.3 63.7 70 70 A L H < S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.819 136.7 14.6 -76.6 -31.4 63.2 68.0 62.0 71 71 A A S < S- 0 0 4 -4,-2.4 -1,-0.2 -5,-0.2 23,-0.2 -0.571 82.3-157.4-146.9 70.2 63.8 69.4 58.5 72 72 A P - 0 0 37 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.233 14.2-143.4 -59.2 137.2 64.3 73.2 58.5 73 73 A E + 0 0 28 17,-0.1 17,-0.3 16,-0.1 16,-0.1 0.906 66.7 96.4 -59.2 -46.1 63.7 75.2 55.4 74 74 A K + 0 0 87 2,-0.1 2,-0.1 3,-0.1 -1,-0.0 -0.797 58.9 35.9-121.9 155.8 66.5 77.6 56.1 75 75 A P > - 0 0 76 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.501 66.6-158.3 -70.7 145.8 69.3 78.4 55.6 76 76 A Y G > S+ 0 0 78 1,-0.3 3,-1.8 2,-0.1 6,-0.3 0.843 86.6 69.7 -58.2 -34.7 69.0 77.1 52.0 77 77 A S G 3 S+ 0 0 97 1,-0.3 -1,-0.3 4,-0.1 -3,-0.1 0.627 80.7 74.2 -61.1 -17.3 72.8 76.8 51.9 78 78 A Q G < S+ 0 0 89 -3,-1.6 2,-0.5 1,-0.1 -1,-0.3 0.645 89.6 69.1 -72.6 -14.0 72.8 73.8 54.3 79 79 A Y X - 0 0 32 -3,-1.8 3,-1.5 -4,-0.2 10,-0.1 -0.933 66.7-155.1-113.4 125.4 71.4 71.6 51.6 80 80 A K G > S+ 0 0 116 -2,-0.5 3,-1.7 1,-0.3 4,-0.2 0.768 94.4 68.9 -64.2 -28.0 73.5 70.5 48.6 81 81 A H G 3 S+ 0 0 97 1,-0.3 3,-0.5 2,-0.1 5,-0.3 0.792 98.9 51.8 -58.2 -27.8 70.3 70.0 46.6 82 82 A N G X S+ 0 0 12 -3,-1.5 3,-1.6 -6,-0.3 -1,-0.3 0.343 79.2 103.6 -89.7 4.7 69.8 73.8 46.7 83 83 A D T < S+ 0 0 104 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.707 80.3 46.2 -66.4 -23.5 73.3 74.5 45.4 84 84 A T T 3 S- 0 0 130 -3,-0.5 -1,-0.3 -4,-0.2 3,-0.1 -0.024 134.0 -74.3-112.0 27.5 72.2 75.4 41.9 85 85 A G S < S+ 0 0 66 -3,-1.6 -2,-0.1 1,-0.4 -3,-0.1 0.193 92.2 121.3 110.2 -14.5 69.4 77.7 42.8 86 86 A E - 0 0 103 -5,-0.3 -1,-0.4 1,-0.1 3,-0.0 -0.382 37.9-169.2 -67.8 158.5 66.5 75.5 44.0 87 87 A D + 0 0 60 -3,-0.1 3,-0.3 -2,-0.1 -5,-0.1 0.211 61.4 90.9-132.0 15.4 65.4 76.2 47.5 88 88 A N >> + 0 0 9 1,-0.2 3,-1.4 -7,-0.1 4,-1.1 0.288 40.7 114.0-103.5 16.3 63.1 73.2 48.1 89 89 A A H >> S+ 0 0 7 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.900 78.5 56.0 -49.9 -44.1 65.5 70.6 49.7 90 90 A D H 3> S+ 0 0 0 -3,-0.3 4,-3.0 -17,-0.3 -1,-0.3 0.807 99.2 60.4 -59.2 -32.4 63.6 70.8 53.0 91 91 A A H <> S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.2 -1,-0.3 0.841 100.8 53.4 -68.0 -33.0 60.4 69.9 51.2 92 92 A H H - D 0 110A 55 3,-2.8 3,-1.7 -2,-0.5 -71,-0.2 -0.999 65.5 -9.3-136.0 128.4 34.5 47.9 52.2 108 108 A D T 3 S- 0 0 112 -2,-0.4 -72,-0.2 1,-0.3 -1,-0.1 0.905 130.1 -53.4 47.0 49.4 30.9 47.9 51.2 109 109 A R T 3 S+ 0 0 107 -74,-2.3 2,-0.3 1,-0.2 -1,-0.3 0.548 120.8 92.3 68.1 13.3 31.5 50.8 48.8 110 110 A K E < S-D 107 0A 143 -3,-1.7 -3,-2.8 -75,-0.4 -1,-0.2 -0.960 85.7 -95.0-135.9 154.0 33.2 53.0 51.4 111 111 A M E -D 106 0A 23 -2,-0.3 2,-1.2 -5,-0.2 -5,-0.2 -0.460 40.7-130.7 -60.5 133.5 36.6 53.9 52.7 112 112 A D + 0 0 91 -7,-2.9 -7,-0.4 -2,-0.1 2,-0.3 -0.742 48.1 159.5 -97.2 86.5 37.0 51.7 55.8 113 113 A L - 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