==== 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/DNA 12-SEP-06 2IBT . COMPND 2 MOLECULE: 5'-D(*GP*TP*TP*CP*GP*(2PR)P*TP*GP*TP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR T.LENZ,A.J.SCHEIDIG,E.WEINHOLD . 786 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37497.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 524 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 14.8 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 . 4 0.5 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 . 2 0.3 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 . 62 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 19.1 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 2 3 0 1 3 0 8 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 2 6 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 . 2 5 5 2 2 0 4 1 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 . 6 2 2 0 0 0 0 2 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 21 A V 0 0 138 0, 0.0 84,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.3 -16.4 -10.9 16.3 2 22 A E - 0 0 164 1,-0.1 0, 0.0 174,-0.0 0, 0.0 -0.073 360.0-156.1 -75.5 147.8 -15.1 -13.0 19.1 3 23 A T - 0 0 21 173,-0.0 5,-0.1 82,-0.0 -1,-0.1 -0.979 33.5-111.2-110.1 125.2 -12.5 -12.2 21.8 4 24 A P >> - 0 0 18 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.232 26.4-121.6 -52.9 140.1 -10.8 -15.2 23.4 5 25 A P H 3> S+ 0 0 86 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.832 111.6 55.9 -59.3 -32.8 -11.8 -15.5 27.1 6 26 A E H 3> S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 201,-0.5 0.816 108.2 49.1 -69.8 -30.0 -8.2 -15.2 28.3 7 27 A V H <> S+ 0 0 1 -3,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.919 111.8 48.8 -68.1 -46.0 -8.0 -11.8 26.5 8 28 A V H X S+ 0 0 10 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.942 112.4 48.5 -57.2 -48.7 -11.3 -10.8 28.0 9 29 A D H X S+ 0 0 99 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.881 110.7 50.4 -61.3 -42.7 -10.1 -11.8 31.5 10 30 A F H X S+ 0 0 6 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.954 112.3 47.0 -59.5 -49.6 -6.8 -10.0 31.1 11 31 A M H >X S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 4,-0.7 0.914 109.7 52.8 -60.1 -43.1 -8.6 -6.8 30.1 12 32 A V H >< S+ 0 0 7 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.878 103.2 59.1 -60.1 -36.9 -11.1 -7.1 32.9 13 33 A S H 3< S+ 0 0 81 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.725 108.0 46.1 -62.7 -23.1 -8.1 -7.4 35.3 14 34 A L H << S+ 0 0 21 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.527 98.4 93.7 -92.9 -10.1 -6.9 -4.0 34.1 15 35 A A << + 0 0 5 -3,-0.9 2,-0.3 -4,-0.7 66,-0.1 -0.543 47.4 170.7 -90.7 150.5 -10.3 -2.3 34.3 16 36 A E + 0 0 109 -2,-0.2 123,-0.2 64,-0.1 -3,-0.0 -0.983 8.0 172.1-152.6 155.0 -11.7 -0.4 37.2 17 37 A A - 0 0 19 -2,-0.3 3,-0.1 121,-0.1 64,-0.1 -0.967 35.0-106.1-156.4 147.0 -14.7 1.8 38.0 18 38 A P > - 0 0 77 0, 0.0 3,-2.8 0, 0.0 62,-0.1 -0.378 55.9 -74.3 -72.5 159.2 -16.1 3.4 41.2 19 39 A R T 3 S+ 0 0 218 1,-0.3 26,-0.2 26,-0.1 3,-0.1 -0.290 125.4 13.5 -47.5 130.0 -19.2 2.0 43.0 20 40 A G T 3 S+ 0 0 49 24,-3.6 -1,-0.3 1,-0.2 25,-0.2 0.476 97.9 154.8 76.1 2.7 -22.2 3.0 40.9 21 41 A G < - 0 0 3 -3,-2.8 25,-2.5 23,-0.4 2,-0.5 -0.188 50.0-107.6 -61.6 154.0 -19.9 4.0 38.1 22 42 A R E -a 46 0A 33 23,-0.2 59,-1.9 56,-0.1 58,-1.8 -0.759 35.3-167.7 -89.6 123.8 -21.1 4.0 34.5 23 43 A V E -ab 47 81A 0 23,-2.9 25,-2.9 -2,-0.5 2,-0.4 -0.959 3.5-168.9-121.8 119.4 -19.6 1.1 32.5 24 44 A L E -ab 48 82A 0 57,-2.7 59,-2.6 -2,-0.5 25,-0.2 -0.897 16.7-167.8-117.3 132.9 -19.9 1.0 28.7 25 45 A E E > -a 49 0A 6 23,-2.3 25,-2.0 -2,-0.4 3,-0.6 -0.944 19.2-156.5-111.9 104.6 -19.2 -1.7 26.1 26 46 A P E 3 S+a 50 0A 2 0, 0.0 59,-0.4 0, 0.0 25,-0.1 -0.526 79.4 14.9 -75.1 150.9 -19.1 -0.2 22.6 27 47 A A T 3 S+ 0 0 33 23,-1.0 24,-0.2 -2,-0.2 58,-0.1 0.888 88.8 162.0 54.2 46.9 -19.9 -2.6 19.6 28 48 A C X + 0 0 2 22,-1.9 3,-2.9 -3,-0.6 2,-0.2 0.691 17.1 176.3 -81.4 -25.0 -21.1 -4.9 22.3 29 49 A A T 3 S- 0 0 26 1,-0.3 29,-1.8 21,-0.2 -1,-0.2 -0.381 86.9 -5.0 48.3-115.0 -23.3 -7.5 20.5 30 50 A H T 3 S- 0 0 90 27,-0.2 -1,-0.3 -2,-0.2 27,-0.1 0.486 104.8-115.1 -85.6 0.1 -24.2 -9.9 23.4 31 51 A G <> + 0 0 0 -3,-2.9 4,-2.2 28,-0.1 5,-0.2 0.936 47.0 170.1 73.1 53.9 -21.9 -7.9 25.8 32 52 A P H > S+ 0 0 35 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.862 80.2 50.1 -63.8 -32.7 -19.1 -10.4 26.8 33 53 A F H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.899 109.6 49.4 -71.9 -41.0 -17.1 -7.6 28.5 34 54 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.932 113.6 48.6 -56.7 -45.8 -20.1 -6.3 30.5 35 55 A R H X S+ 0 0 97 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.923 113.4 45.4 -64.7 -45.3 -20.7 -9.9 31.6 36 56 A A H X S+ 0 0 21 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.871 113.4 49.4 -67.9 -37.2 -17.1 -10.6 32.6 37 57 A F H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.4 0.944 112.1 48.3 -68.2 -47.3 -16.7 -7.3 34.4 38 58 A R H X S+ 0 0 72 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.887 111.9 49.7 -56.0 -44.9 -19.9 -7.9 36.4 39 59 A E H < S+ 0 0 169 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.875 119.9 37.3 -61.3 -39.0 -18.8 -11.5 37.3 40 60 A A H < S+ 0 0 66 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.875 130.8 23.8 -83.0 -42.1 -15.4 -10.2 38.5 41 61 A H H < S- 0 0 75 -4,-3.3 3,-0.2 1,-0.3 -3,-0.2 0.454 106.3-116.8-112.0 -4.0 -16.2 -6.9 40.1 42 62 A G < - 0 0 29 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.1 -0.373 32.0 -65.1 98.6-171.9 -19.9 -7.3 41.1 43 63 A T S S+ 0 0 93 1,-0.1 2,-2.3 -2,-0.1 -1,-0.1 0.582 90.1 101.1 -99.2 -12.9 -23.3 -5.7 40.4 44 64 A A + 0 0 44 -3,-0.2 -24,-3.6 -6,-0.1 -23,-0.4 -0.333 66.2 87.9 -82.2 60.4 -23.0 -2.1 41.8 45 65 A Y S S- 0 0 49 -2,-2.3 2,-0.8 -25,-0.2 -23,-0.2 -0.967 80.3-113.4-145.0 159.2 -22.5 -0.4 38.4 46 66 A R E -a 22 0A 145 -25,-2.5 -23,-2.9 -2,-0.3 2,-0.4 -0.867 38.4-157.8 -95.5 106.4 -24.6 1.0 35.6 47 67 A F E +ac 23 63A 6 -2,-0.8 17,-2.7 15,-0.5 2,-0.3 -0.720 15.3 175.1 -94.9 130.9 -23.9 -1.3 32.6 48 68 A V E -ac 24 64A 1 -25,-2.9 -23,-2.3 -2,-0.4 2,-0.4 -0.991 11.3-168.3-135.3 139.1 -24.5 -0.0 29.1 49 69 A G E -ac 25 65A 0 15,-2.5 17,-2.5 -2,-0.3 2,-0.4 -0.979 6.7-157.9-126.3 140.0 -23.9 -1.6 25.6 50 70 A V E +ac 26 66A 0 -25,-2.0 -22,-1.9 -2,-0.4 -23,-1.0 -0.989 19.3 167.1-119.5 130.3 -24.0 0.2 22.3 51 71 A E E - c 0 67A 21 15,-2.5 17,-1.3 -2,-0.4 6,-0.1 -0.998 29.1-156.7-147.8 134.8 -24.6 -1.9 19.1 52 72 A I S S+ 0 0 104 -2,-0.3 17,-0.1 15,-0.2 -1,-0.1 0.720 78.0 69.3 -84.6 -23.8 -25.5 -0.9 15.6 53 73 A D >> - 0 0 65 1,-0.1 3,-1.7 15,-0.1 4,-1.5 -0.878 64.5-155.7-107.2 114.5 -27.0 -4.2 14.4 54 74 A P T 34 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.787 96.3 58.6 -57.1 -31.4 -30.4 -5.2 15.9 55 75 A K T 34 S+ 0 0 191 1,-0.2 -2,-0.0 3,-0.0 0, 0.0 0.711 110.4 44.2 -66.1 -23.5 -29.7 -8.9 15.1 56 76 A A T <4 S+ 0 0 29 -3,-1.7 2,-0.4 -27,-0.0 -1,-0.2 0.755 85.6 96.3 -94.3 -32.3 -26.5 -8.6 17.2 57 77 A L < + 0 0 40 -4,-1.5 -27,-0.2 1,-0.1 8,-0.1 -0.487 39.6 148.3 -68.6 118.4 -27.6 -6.8 20.3 58 78 A D + 0 0 112 -29,-1.8 -1,-0.1 -2,-0.4 -3,-0.0 -0.483 16.8 164.0-153.2 71.7 -28.4 -9.4 23.0 59 79 A L - 0 0 31 1,-0.1 -28,-0.1 4,-0.1 6,-0.1 -0.545 40.8-102.8 -95.3 157.4 -27.8 -8.1 26.4 60 80 A P > - 0 0 13 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.386 40.9-105.0 -68.6 157.3 -28.9 -9.4 29.9 61 81 A P T 3 S+ 0 0 139 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.722 116.9 66.2 -58.5 -22.0 -31.8 -7.5 31.5 62 82 A W T 3 S+ 0 0 82 2,-0.1 -15,-0.5 -16,-0.0 2,-0.3 0.543 95.5 68.4 -79.2 -6.0 -29.3 -5.9 34.0 63 83 A A E < S-c 47 0A 14 -3,-2.0 2,-0.6 -17,-0.1 -15,-0.2 -0.877 81.9-126.2-111.2 146.6 -27.6 -3.9 31.2 64 84 A E E -c 48 0A 94 -17,-2.7 -15,-2.5 -2,-0.3 2,-0.5 -0.824 24.8-155.3 -90.6 122.7 -29.1 -1.1 29.1 65 85 A G E -c 49 0A 37 -2,-0.6 2,-0.4 -17,-0.2 -15,-0.2 -0.850 8.0-168.1-100.2 131.0 -28.8 -1.8 25.3 66 86 A I E -c 50 0A 36 -17,-2.5 -15,-2.5 -2,-0.5 2,-0.8 -0.963 16.6-143.0-118.5 131.2 -28.7 1.1 22.8 67 87 A L E +c 51 0A 100 -2,-0.4 2,-0.3 -17,-0.2 -15,-0.2 -0.858 54.7 116.4 -92.6 108.7 -29.1 0.6 19.1 68 88 A A S S- 0 0 22 -17,-1.3 2,-0.8 -2,-0.8 -15,-0.1 -0.984 75.0 -97.6-163.9 155.2 -26.8 3.2 17.6 69 89 A D >> - 0 0 33 -2,-0.3 3,-1.8 1,-0.2 4,-0.9 -0.803 37.8-150.4 -76.6 109.7 -23.7 3.9 15.6 70 90 A F G >4 S+ 0 0 6 -2,-0.8 3,-0.6 1,-0.3 -1,-0.2 0.848 91.9 61.3 -53.3 -36.9 -21.2 4.3 18.5 71 91 A L G 34 S+ 0 0 1 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.692 115.9 30.9 -67.3 -19.1 -19.1 6.7 16.4 72 92 A L G <4 S+ 0 0 65 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.326 92.8 121.6-118.8 1.9 -22.0 9.2 16.1 73 93 A W << - 0 0 32 -4,-0.9 -5,-0.0 -3,-0.6 -3,-0.0 -0.435 42.8-164.2 -74.4 135.9 -23.8 8.5 19.4 74 94 A E - 0 0 151 -2,-0.2 -1,-0.1 59,-0.0 -3,-0.0 -0.835 10.4-165.9-123.2 94.0 -24.3 11.3 21.9 75 95 A P - 0 0 27 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.309 28.8-120.3 -70.8 160.9 -25.1 10.0 25.4 76 96 A G S S+ 0 0 92 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.838 94.0 25.5 -66.9 -32.7 -26.5 12.3 28.1 77 97 A E S S- 0 0 106 1,-0.0 -1,-0.1 58,-0.0 58,-0.0 -0.966 80.7-112.2-140.6 146.9 -23.6 11.6 30.4 78 98 A A - 0 0 34 -2,-0.3 2,-0.3 1,-0.1 56,-0.2 -0.051 36.0-113.8 -69.4 174.1 -19.9 10.5 30.2 79 99 A F E - d 0 134A 1 54,-2.6 56,-2.7 1,-0.1 -56,-0.1 -0.838 9.6-151.6-121.4 153.1 -18.6 7.2 31.5 80 100 A D E S+ 0 0 24 -58,-1.8 59,-2.4 -2,-0.3 2,-0.4 0.772 89.5 19.1 -86.6 -33.2 -16.2 5.9 34.2 81 101 A L E -bd 23 139A 0 -59,-1.9 -57,-2.7 57,-0.2 2,-0.4 -0.992 60.0-175.5-143.8 131.0 -15.1 2.8 32.3 82 102 A I E +bd 24 140A 0 57,-2.5 59,-2.3 -2,-0.4 2,-0.3 -0.998 20.5 164.9-126.0 126.6 -15.2 1.9 28.6 83 103 A L E + d 0 141A 0 -59,-2.6 2,-0.3 -2,-0.4 59,-0.2 -0.985 13.4 70.2-143.2 152.7 -14.0 -1.5 27.6 84 104 A G E S- d 0 142A 0 57,-2.2 59,-1.5 -2,-0.3 -57,-0.1 -0.951 70.4 -56.4 149.4-160.0 -14.1 -3.9 24.8 85 105 A N - 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