==== 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 13-APR-07 2YVL . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR T.YANAGISAWA,R.ISHII,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PR . 992 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 709 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 172 17.3 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 . 12 1.2 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 . 79 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 0 7 1 4 7 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 8 4 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 . 4 0 10 4 4 8 0 0 2 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 . 6 0 4 0 0 0 0 0 0 0 0 0 0 0 2 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 2 A N 0 0 125 0, 0.0 44,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -5.0 10.8 50.3 68.1 2 3 A S - 0 0 46 1,-0.1 2,-0.2 42,-0.1 39,-0.1 -0.300 360.0 -85.9 -62.8 151.3 11.5 53.6 66.5 3 4 A F - 0 0 2 40,-2.6 39,-2.8 37,-0.4 2,-0.3 -0.429 47.5-152.7 -64.2 128.1 14.8 54.0 64.6 4 5 A K > - 0 0 112 37,-0.2 3,-1.4 -2,-0.2 18,-0.2 -0.715 26.0 -91.8-100.0 152.5 17.8 55.0 66.8 5 6 A E T 3 S+ 0 0 138 -2,-0.3 18,-0.2 1,-0.2 3,-0.1 -0.360 108.8 18.2 -55.9 133.7 20.9 56.8 66.0 6 7 A G T 3 S+ 0 0 27 16,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.269 90.9 125.1 89.1 -11.7 23.8 54.5 65.0 7 8 A E < - 0 0 50 -3,-1.4 15,-2.3 15,-0.2 2,-0.3 -0.519 65.1-107.8 -83.9 151.3 21.8 51.4 64.2 8 9 A Y E -A 21 0A 58 13,-0.2 2,-0.3 -2,-0.2 13,-0.2 -0.607 38.2-169.0 -77.7 132.4 22.0 49.5 60.9 9 10 A V E -A 20 0A 0 11,-2.7 11,-2.2 -2,-0.3 2,-0.6 -0.924 22.1-131.2-124.3 147.6 19.0 49.8 58.6 10 11 A L E -AB 19 55A 0 45,-2.7 45,-2.8 -2,-0.3 2,-0.5 -0.904 26.5-165.4 -95.5 118.4 17.9 48.1 55.4 11 12 A I E -AB 18 54A 0 7,-3.5 7,-2.5 -2,-0.6 2,-0.5 -0.920 3.3-160.2-110.0 126.2 16.9 50.6 52.8 12 13 A R E +AB 17 53A 25 41,-3.0 41,-2.5 -2,-0.5 2,-0.4 -0.923 15.2 169.4-108.8 126.7 14.9 49.6 49.7 13 14 A F E > -A 16 0A 35 3,-2.7 3,-2.1 -2,-0.5 2,-0.1 -0.952 62.7 -45.2-140.6 119.4 14.9 51.8 46.6 14 15 A G T 3 S- 0 0 59 37,-0.4 37,-0.0 -2,-0.4 0, 0.0 -0.437 123.8 -22.7 54.6-127.8 13.5 50.6 43.3 15 16 A E T 3 S+ 0 0 131 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.527 121.7 92.9 -83.6 -7.4 14.9 47.1 42.8 16 17 A K E < -A 13 0A 126 -3,-2.1 -3,-2.7 2,-0.0 2,-0.4 -0.669 58.2-150.1-108.3 143.6 17.9 47.6 45.1 17 18 A K E -A 12 0A 39 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.853 14.0-171.8-104.7 143.6 18.7 47.0 48.8 18 19 A F E -A 11 0A 17 -7,-2.5 -7,-3.5 -2,-0.4 2,-0.5 -0.998 12.7-153.2-134.5 134.7 21.1 49.1 50.8 19 20 A L E +A 10 0A 17 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.958 28.2 163.8-109.0 125.5 22.5 48.6 54.3 20 21 A R E -A 9 0A 96 -11,-2.2 -11,-2.7 -2,-0.5 2,-0.3 -0.999 39.5-120.0-143.2 140.6 23.5 51.8 56.2 21 22 A K E -A 8 0A 89 -2,-0.3 2,-1.8 -13,-0.2 -13,-0.2 -0.592 38.1-116.2 -70.6 135.0 24.3 52.9 59.7 22 23 A L + 0 0 0 -15,-2.3 -16,-3.2 -2,-0.3 -15,-0.2 -0.580 47.0 174.9 -76.5 84.5 21.9 55.7 60.7 23 24 A L > - 0 0 60 -2,-1.8 3,-1.6 -18,-0.2 14,-0.2 -0.817 33.7-110.9 -96.3 127.1 24.5 58.4 61.1 24 25 A P T 3 S+ 0 0 50 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.263 98.2 12.6 -58.7 142.1 23.2 61.9 61.9 25 26 A K T 3 S+ 0 0 191 1,-0.3 2,-0.1 0, 0.0 -2,-0.0 0.374 105.6 114.6 73.6 -2.3 23.5 64.6 59.1 26 27 A Q < - 0 0 102 -3,-1.6 11,-2.3 10,-0.0 12,-0.4 -0.435 45.1-166.3 -97.0 170.1 24.4 61.9 56.6 27 28 A S E -D 36 0B 66 9,-0.2 2,-0.4 -2,-0.1 9,-0.2 -0.936 20.9-134.0-146.8 165.6 22.4 60.7 53.6 28 29 A L E -D 35 0B 11 7,-2.3 7,-3.3 -2,-0.3 2,-0.4 -0.999 23.9-168.1-121.1 130.0 22.0 58.0 50.9 29 30 A S E +D 34 0B 79 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.981 8.7 178.2-120.4 134.4 21.6 59.1 47.3 30 31 A V E > S-D 33 0B 24 3,-2.6 3,-2.0 -2,-0.4 -2,-0.0 -0.979 75.7 -16.8-133.8 118.3 20.5 56.9 44.4 31 32 A K T 3 S- 0 0 191 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.847 128.6 -52.8 56.1 39.3 20.1 58.3 40.9 32 33 A K T 3 S+ 0 0 196 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.445 112.2 124.6 73.1 2.7 20.0 61.8 42.3 33 34 A S E < -D 30 0B 40 -3,-2.0 -3,-2.6 18,-0.0 2,-0.4 -0.822 50.4-149.4 -89.2 133.4 17.2 60.8 44.8 34 35 A V E -D 29 0B 62 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.880 18.5-168.2-115.0 131.4 18.2 61.6 48.3 35 36 A L E -D 28 0B 1 -7,-3.3 -7,-2.3 -2,-0.4 2,-0.5 -0.979 15.2-152.4-108.6 122.0 17.4 60.0 51.7 36 37 A K E > -D 27 0B 109 -2,-0.5 3,-1.2 -9,-0.2 4,-0.4 -0.845 6.8-148.9 -93.8 125.0 18.3 62.1 54.7 37 38 A F G >> S+ 0 0 6 -11,-2.3 4,-2.0 -2,-0.5 3,-0.6 0.692 94.4 66.9 -67.2 -23.1 19.1 59.9 57.8 38 39 A D G 34 S+ 0 0 89 -12,-0.4 -1,-0.3 1,-0.2 -11,-0.1 0.785 98.9 53.0 -64.7 -30.8 17.8 62.6 60.2 39 40 A E G <4 S+ 0 0 75 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.602 109.2 50.3 -78.6 -14.2 14.3 62.1 58.7 40 41 A V T X4 S+ 0 0 0 -3,-0.6 3,-2.2 -4,-0.4 -37,-0.4 0.852 87.3 91.7 -90.6 -43.3 14.6 58.3 59.4 41 42 A I T 3< S+ 0 0 50 -4,-2.0 -37,-0.2 1,-0.3 -39,-0.0 -0.306 95.7 20.4 -55.5 130.7 15.7 58.5 63.1 42 43 A G T 3 S+ 0 0 47 -39,-2.8 -1,-0.3 1,-0.3 -38,-0.1 0.417 101.0 117.6 85.7 0.2 12.6 58.5 65.4 43 44 A K < - 0 0 82 -3,-2.2 -40,-2.6 -40,-0.1 -1,-0.3 -0.620 68.4-103.6 -95.4 157.7 10.4 56.9 62.7 44 45 A P > - 0 0 40 0, 0.0 3,-1.0 0, 0.0 2,-0.2 -0.361 44.2 -90.8 -72.1 158.6 8.7 53.5 62.8 45 46 A E T 3 S+ 0 0 17 -44,-0.2 385,-0.5 1,-0.2 10,-0.2 -0.501 113.3 37.0 -65.7 137.1 10.0 50.5 60.9 46 47 A G T 3 S+ 0 0 2 8,-3.2 448,-2.4 1,-0.3 -1,-0.2 0.638 80.9 150.7 89.2 17.4 8.5 50.3 57.4 47 48 A V E < -C 54 0A 19 -3,-1.0 7,-2.4 7,-0.7 2,-0.5 -0.467 36.5-144.6 -71.4 153.3 8.4 54.1 56.8 48 49 A K E +C 53 0A 129 5,-0.2 2,-0.4 -2,-0.1 5,-0.2 -0.990 20.3 176.6-124.1 120.7 8.6 55.3 53.2 49 50 A I E > S-C 52 0A 20 3,-2.8 3,-2.3 -2,-0.5 -9,-0.0 -0.982 70.1 -22.2-129.9 116.9 10.5 58.6 52.6 50 51 A N T 3 S- 0 0 104 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.759 129.3 -47.7 58.3 29.5 11.1 60.1 49.2 51 52 A G T 3 S+ 0 0 35 1,-0.3 2,-0.5 -38,-0.0 -37,-0.4 0.253 114.7 118.9 95.9 -11.0 10.6 56.6 47.6 52 53 A F E < - C 0 49A 0 -3,-2.3 -3,-2.8 -39,-0.1 2,-0.4 -0.788 51.0-153.7 -92.4 125.6 12.9 54.9 50.1 53 54 A E E -BC 12 48A 22 -41,-2.5 -41,-3.0 -2,-0.5 2,-0.5 -0.836 13.0-155.8 -97.5 135.7 11.5 52.1 52.3 54 55 A V E +BC 11 47A 0 -7,-2.4 -8,-3.2 -2,-0.4 -7,-0.7 -0.953 22.8 150.3-125.4 125.6 13.3 51.6 55.6 55 56 A Y E -B 10 0A 0 -45,-2.8 -45,-2.7 -2,-0.5 375,-0.1 -0.794 49.7 -94.2-133.4 172.3 13.4 48.5 57.8 56 57 A R - 0 0 56 -2,-0.2 -47,-0.2 -47,-0.2 -53,-0.0 -0.806 55.8-105.9 -86.6 140.3 15.7 46.7 60.2 57 58 A P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.293 27.8-133.7 -70.5 151.1 17.8 44.1 58.3 58 59 A T > - 0 0 4 1,-0.1 4,-2.7 275,-0.0 3,-0.3 -0.465 35.8 -91.7 -91.3 171.6 17.1 40.4 58.6 59 60 A L H > S+ 0 0 5 273,-0.3 4,-2.2 1,-0.2 5,-0.2 0.899 127.8 50.3 -45.9 -49.0 19.7 37.6 59.1 60 61 A E H > S+ 0 0 13 272,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.867 112.6 45.3 -60.7 -40.6 20.1 37.2 55.3 61 62 A E H >>S+ 0 0 4 -3,-0.3 4,-2.5 2,-0.2 5,-0.6 0.840 110.3 54.4 -75.2 -36.3 20.6 40.9 54.7 62 63 A I H X>S+ 0 0 20 -4,-2.7 4,-1.8 3,-0.2 5,-1.5 0.933 113.8 41.9 -58.2 -49.3 23.0 41.3 57.6 63 64 A I H <5S+ 0 0 0 -4,-2.2 4,-0.4 3,-0.2 -2,-0.2 0.937 120.6 41.8 -64.9 -48.8 25.2 38.5 56.1 64 65 A L H <5S+ 0 0 57 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.852 133.6 15.7 -68.8 -39.9 24.9 39.6 52.5 65 66 A L H <5S+ 0 0 83 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.628 129.7 41.4-114.2 -18.2 25.3 43.4 53.0 66 67 A G T <> - 0 0 63 -2,-0.6 4,-2.6 1,-0.1 3,-1.9 -0.539 15.5-114.7 -83.3 145.7 25.7 32.5 51.1 76 77 A P H 3> S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.5 0.779 113.8 69.0 -44.8 -36.6 22.3 32.2 52.9 77 78 A K H 34 S+ 0 0 26 1,-0.2 4,-0.4 2,-0.2 138,-0.1 0.884 116.2 24.8 -49.7 -42.6 21.0 30.3 49.9 78 79 A D H <> S+ 0 0 1 -3,-1.9 4,-2.9 2,-0.1 3,-0.2 0.897 122.6 52.7 -87.9 -50.4 23.3 27.4 51.0 79 80 A S H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.831 104.2 55.6 -61.1 -36.6 23.6 28.2 54.7 80 81 A F H X S+ 0 0 0 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.916 115.3 40.1 -64.3 -41.6 19.9 28.3 55.5 81 82 A Y H > S+ 0 0 5 -5,-0.5 4,-2.8 -4,-0.4 3,-0.4 0.942 113.7 54.7 -66.4 -49.3 19.5 24.8 54.0 82 83 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.888 103.7 53.4 -50.9 -51.5 22.7 23.5 55.5 83 84 A A H <>S+ 0 0 0 -4,-2.4 5,-1.5 1,-0.2 -1,-0.2 0.830 117.8 35.5 -60.2 -37.7 21.9 24.4 59.2 84 85 A L H ><5S+ 0 0 2 -4,-0.9 3,-1.5 -3,-0.4 224,-0.3 0.783 112.1 59.0 -88.4 -30.3 18.5 22.6 59.1 85 86 A K H 3<5S+ 0 0 12 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.864 100.6 58.5 -61.7 -36.2 19.7 19.7 56.9 86 87 A L T 3<5S- 0 0 2 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.372 117.3-120.8 -72.9 2.3 22.3 19.1 59.6 87 88 A N T < 5 + 0 0 32 -3,-1.5 -3,-0.2 1,-0.2 2,-0.1 0.742 51.7 170.6 66.7 28.8 19.3 18.6 61.9 88 89 A L < + 0 0 3 -5,-1.5 2,-0.3 2,-0.1 -1,-0.2 -0.423 8.8 147.6 -76.7 142.4 20.3 21.4 64.3 89 90 A N > - 0 0 20 -2,-0.1 3,-2.0 270,-0.0 24,-1.3 -0.870 63.6 -71.5-151.9-169.9 18.2 22.9 67.1 90 91 A K T 3 S+ 0 0 85 268,-0.3 22,-0.1 1,-0.3 -2,-0.1 0.539 127.2 55.0 -74.4 -5.9 18.8 24.4 70.5 91 92 A E T 3 S+ 0 0 152 22,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.228 94.9 94.1-103.3 12.9 19.8 21.1 72.1 92 93 A K < - 0 0 36 -3,-2.0 21,-1.9 19,-0.2 22,-1.6 -0.838 59.3-153.9-110.6 144.4 22.5 20.5 69.5 93 94 A R E -e 114 0C 70 -2,-0.3 66,-2.4 20,-0.2 67,-1.0 -0.961 19.3-162.6-112.5 128.5 26.2 21.3 69.6 94 95 A V E -ef 115 160C 0 20,-2.4 22,-2.5 -2,-0.4 2,-0.4 -0.926 12.7-143.4-123.3 140.5 27.9 21.8 66.2 95 96 A L E +ef 116 161C 0 65,-2.5 67,-2.3 -2,-0.4 2,-0.3 -0.808 23.3 178.6 -95.7 136.4 31.5 21.8 65.0 96 97 A E E -ef 117 162C 1 20,-2.3 22,-2.0 -2,-0.4 2,-0.3 -0.996 7.8-156.5-141.4 135.6 32.6 24.2 62.2 97 98 A F E +ef 118 163C 5 65,-1.5 67,-2.5 -2,-0.3 22,-0.1 -0.919 68.6 24.6-160.4 143.5 35.9 25.0 60.4 98 99 A G - 0 0 0 20,-0.7 -1,-0.3 -2,-0.3 21,-0.3 0.614 62.0-162.8 -86.6 153.3 37.2 27.2 59.0 99 100 A T > + 0 0 0 19,-1.1 3,-2.3 -3,-0.2 6,-0.4 0.847 25.9 169.4 -60.1 -37.1 35.3 30.1 60.5 100 101 A G T 3 S- 0 0 0 893,-0.3 28,-0.4 1,-0.3 -1,-0.2 -0.396 72.9 -20.2 57.9-126.1 36.3 32.4 57.6 101 102 A S T 3 S- 0 0 0 -29,-0.3 -1,-0.3 -2,-0.1 30,-0.1 0.416 94.5-110.1 -92.2 0.2 34.3 35.6 57.8 102 103 A G S <> S+ 0 0 0 -3,-2.3 4,-2.1 -4,-0.1 -2,-0.1 0.643 76.4 132.7 83.0 17.0 31.6 33.9 60.0 103 104 A A H > S+ 0 0 0 -4,-0.3 4,-0.7 2,-0.2 -3,-0.1 0.917 81.7 34.1 -69.5 -45.7 28.8 33.9 57.3 104 105 A L H >> S+ 0 0 0 889,-2.0 4,-2.5 -5,-0.3 3,-0.8 0.900 113.9 62.2 -68.7 -43.5 27.8 30.3 57.9 105 106 A L H 3> S+ 0 0 0 -6,-0.4 4,-3.2 1,-0.2 5,-0.2 0.883 95.7 59.7 -46.5 -47.6 28.7 30.6 61.6 106 107 A A H 3X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.876 110.8 41.0 -51.5 -42.8 25.9 33.3 61.9 107 108 A V H > - 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