==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-JUL-06 2HW2 . COMPND 2 MOLECULE: RIFAMPIN ADP-RIBOSYL TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR J.BAYSAROWICH,G.D.WRIGHT,M.JUNOP . 140 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 57.1 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 . 31 22.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 1 0.7 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 . 9 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 15.7 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+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 0 0 0 0 0 1 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 . 3 2 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 6 A P 0 0 59 0, 0.0 109,-0.0 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0 158.2 -3.1 5.0 -6.3 2 7 A K > - 0 0 141 3,-0.1 3,-1.9 4,-0.0 48,-0.5 -0.904 360.0-113.1-103.3 126.3 -1.3 4.1 -9.5 3 8 A P T 3 S+ 0 0 64 0, 0.0 3,-0.1 0, 0.0 89,-0.1 -0.218 97.9 9.9 -58.1 139.0 -3.3 3.7 -12.8 4 9 A F T 3 S+ 0 0 106 1,-0.2 2,-0.6 88,-0.1 89,-0.1 0.456 90.4 135.7 78.6 0.3 -3.3 0.1 -14.2 5 10 A E < - 0 0 124 -3,-1.9 44,-0.8 87,-0.1 45,-0.4 -0.756 53.9-130.8 -85.7 122.3 -1.7 -1.3 -11.1 6 11 A V B -A 48 0A 60 -2,-0.6 42,-0.2 42,-0.2 87,-0.0 -0.436 28.2-105.8 -74.8 138.6 -3.4 -4.6 -10.0 7 12 A H > - 0 0 40 40,-2.5 3,-1.3 4,-0.2 -1,-0.1 -0.326 25.8-117.5 -66.8 144.5 -4.3 -4.7 -6.4 8 13 A E T 3 S+ 0 0 194 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.881 112.2 52.9 -48.3 -41.6 -2.1 -7.0 -4.2 9 14 A S T 3 S- 0 0 73 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.682 93.8-136.7 -71.5 -22.2 -5.1 -9.2 -3.4 10 15 A G < + 0 0 34 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.421 59.8 142.8 69.4 0.1 -6.4 -9.9 -7.0 11 16 A A - 0 0 19 1,-0.1 2,-0.4 36,-0.1 -1,-0.3 -0.257 58.4-108.3 -71.5 154.9 -9.8 -9.3 -5.4 12 17 A Y E -B 70 0B 66 58,-0.6 58,-2.4 -3,-0.1 2,-0.3 -0.724 36.2-159.8 -82.8 135.1 -12.7 -7.5 -7.1 13 18 A L E -BC 69 46B 0 33,-2.9 33,-2.3 -2,-0.4 2,-0.4 -0.884 10.7-164.3-116.7 150.2 -13.3 -4.0 -5.7 14 19 A H E -B 68 0B 26 54,-2.3 54,-2.8 -2,-0.3 2,-0.4 -0.969 7.2-158.4-136.7 115.7 -16.4 -1.8 -5.9 15 20 A G E +B 67 0B 13 -2,-0.4 2,-0.3 52,-0.2 52,-0.2 -0.781 31.4 135.8 -98.4 139.3 -16.3 1.9 -5.2 16 21 A T E -B 66 0B 15 50,-2.5 50,-2.7 -2,-0.4 40,-0.1 -0.967 58.5-126.8-164.5 165.4 -19.5 3.6 -4.2 17 22 A K S S+ 0 0 33 43,-0.4 45,-0.1 -2,-0.3 2,-0.1 0.335 73.0 118.1-104.6 1.5 -21.1 6.1 -1.8 18 23 A A S S- 0 0 26 48,-0.1 2,-1.6 1,-0.1 -2,-0.1 -0.404 75.9-117.1 -62.8 145.1 -23.8 3.5 -0.8 19 24 A E + 0 0 145 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.289 52.1 164.4 -81.5 62.4 -23.8 2.5 2.8 20 25 A L - 0 0 9 -2,-1.6 2,-0.3 1,-0.0 -4,-0.0 -0.248 19.7-158.1 -86.4 161.8 -23.0 -1.2 2.3 21 26 A K > - 0 0 104 82,-0.0 3,-2.6 47,-0.0 82,-0.3 -0.949 35.4 -83.2-134.9 152.3 -21.8 -3.7 5.0 22 27 A V T 3 S+ 0 0 97 -2,-0.3 82,-0.2 1,-0.3 3,-0.1 -0.372 118.3 33.9 -55.4 126.6 -20.0 -7.0 4.9 23 28 A G T 3 S+ 0 0 47 80,-3.0 -1,-0.3 1,-0.4 81,-0.1 0.085 86.2 130.3 107.4 -16.6 -22.6 -9.7 4.2 24 29 A D < - 0 0 64 -3,-2.6 79,-3.0 79,-0.1 2,-0.5 -0.337 48.2-147.2 -62.8 148.1 -24.8 -7.5 2.0 25 30 A R E -D 102 0B 123 77,-0.2 2,-0.5 -3,-0.1 77,-0.2 -0.987 14.7-158.4-115.1 128.6 -25.9 -9.0 -1.4 26 31 A L E -D 101 0B 11 75,-3.2 75,-2.4 -2,-0.5 17,-0.1 -0.953 4.0-162.8-113.2 123.5 -26.3 -6.3 -4.1 27 32 A V - 0 0 71 -2,-0.5 3,-0.3 73,-0.2 72,-0.1 -0.702 27.1-102.0-101.3 155.1 -28.4 -6.9 -7.2 28 33 A P S S+ 0 0 34 0, 0.0 13,-0.1 0, 0.0 -1,-0.1 -0.227 84.5 79.5 -65.7 162.8 -28.2 -4.8 -10.4 29 34 A G + 0 0 38 13,-0.3 12,-0.1 1,-0.3 3,-0.1 0.450 54.7 130.2 116.9 10.6 -30.8 -2.2 -11.2 30 35 A R - 0 0 150 -3,-0.3 10,-2.5 1,-0.1 -1,-0.3 -0.291 66.7 -77.4 -79.9 173.9 -29.8 0.9 -9.2 31 36 A E B -H 39 0C 118 8,-0.2 8,-0.2 1,-0.1 -1,-0.1 -0.405 50.5-101.1 -76.2 142.6 -29.5 4.3 -10.7 32 37 A S - 0 0 6 6,-2.4 5,-0.2 3,-0.4 6,-0.1 -0.338 14.8-145.6 -51.0 142.6 -26.5 5.3 -12.8 33 38 A N S S+ 0 0 47 108,-2.5 -1,-0.1 1,-0.1 3,-0.1 0.523 99.2 36.6 -81.2 -7.7 -23.8 7.5 -11.2 34 39 A F S S+ 0 0 43 107,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.516 116.9 41.9-125.8 -16.3 -23.2 9.3 -14.5 35 40 A E S > S- 0 0 82 106,-0.2 3,-2.0 3,-0.1 -3,-0.4 -0.881 84.8-128.0-136.8 104.5 -26.6 9.7 -16.3 36 41 A A T 3 S+ 0 0 92 -2,-0.4 3,-0.1 1,-0.3 -3,-0.1 -0.238 90.4 16.5 -56.3 136.6 -29.4 10.7 -14.0 37 42 A G T 3 S+ 0 0 56 1,-0.3 2,-0.4 -5,-0.2 -1,-0.3 0.197 87.6 133.1 90.2 -16.2 -32.5 8.5 -14.2 38 43 A R < - 0 0 77 -3,-2.0 -6,-2.4 -6,-0.1 2,-0.5 -0.548 49.6-143.9 -74.1 122.3 -30.7 5.6 -16.0 39 44 A I B -H 31 0C 126 -2,-0.4 2,-0.3 -8,-0.2 -8,-0.2 -0.745 24.2-130.2 -83.7 123.6 -31.6 2.2 -14.5 40 45 A M - 0 0 12 -10,-2.5 -11,-0.1 -2,-0.5 98,-0.0 -0.586 20.2-164.1 -83.9 140.4 -28.5 0.0 -14.7 41 46 A N S S+ 0 0 66 -2,-0.3 2,-0.3 97,-0.2 -1,-0.1 0.586 74.0 43.0 -88.6 -18.5 -28.3 -3.5 -16.0 42 47 A H - 0 0 9 -12,-0.1 2,-0.4 -15,-0.1 -13,-0.3 -0.887 69.2-128.2-128.1 161.4 -24.9 -4.3 -14.5 43 48 A I E - E 0 97B 9 54,-2.4 54,-2.0 -2,-0.3 2,-0.5 -0.894 31.8-139.2-100.5 138.4 -22.8 -3.9 -11.4 44 49 A Y E + E 0 96B 17 -2,-0.4 2,-0.3 52,-0.2 52,-0.2 -0.863 29.6 163.5-108.3 130.4 -19.3 -2.4 -12.1 45 50 A I E - E 0 95B 5 50,-2.3 50,-3.2 -2,-0.5 2,-0.3 -0.885 13.2-163.7-138.7 167.2 -16.2 -3.8 -10.3 46 51 A T E -CE 13 94B 7 -33,-2.3 -33,-2.9 -2,-0.3 48,-0.2 -0.994 27.0-142.8-152.2 157.5 -12.4 -3.6 -10.9 47 52 A Q S S+ 0 0 19 46,-2.6 -40,-2.5 -2,-0.3 2,-0.5 0.360 82.0 82.0-103.9 7.2 -9.1 -5.2 -10.0 48 53 A T B > -A 6 0A 0 44,-0.6 4,-1.9 45,-0.4 -42,-0.2 -0.917 68.9-146.8-108.6 138.8 -7.2 -1.9 -9.8 49 54 A L H > S+ 0 0 34 -44,-0.8 4,-2.7 -2,-0.5 5,-0.2 0.899 99.5 60.1 -64.3 -38.7 -7.3 0.3 -6.7 50 55 A D H > S+ 0 0 15 -48,-0.5 4,-2.3 -45,-0.4 -1,-0.2 0.910 107.0 45.0 -56.6 -46.6 -7.0 3.4 -8.9 51 56 A A H > S+ 0 0 20 41,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 112.9 51.8 -66.8 -34.9 -10.3 2.6 -10.8 52 57 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.881 108.0 51.3 -67.5 -40.3 -12.0 1.7 -7.4 53 58 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.934 109.8 49.5 -63.4 -43.8 -11.0 5.0 -5.9 54 59 A W H X S+ 0 0 34 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.883 109.4 53.5 -58.6 -37.6 -12.4 6.8 -9.0 55 60 A G H X S+ 0 0 26 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.932 111.4 44.7 -62.6 -42.4 -15.6 4.8 -8.5 56 61 A A H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.888 118.0 44.0 -65.0 -43.4 -15.9 5.9 -4.8 57 62 A E H < S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.853 117.6 42.2 -71.8 -39.1 -15.1 9.5 -5.6 58 63 A L H < S+ 0 0 21 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.558 87.9 113.7 -88.4 -9.1 -17.3 9.9 -8.7 59 64 A A S < S- 0 0 5 -4,-1.1 2,-0.1 -5,-0.2 -43,-0.1 -0.274 73.0-112.4 -59.0 147.4 -20.3 8.0 -7.3 60 65 A A + 0 0 63 2,-0.0 -43,-0.4 0, 0.0 2,-0.2 -0.464 69.3 80.0 -76.8 150.6 -23.4 10.0 -6.7 61 66 A G S S- 0 0 56 -2,-0.1 2,-0.3 -45,-0.1 -43,-0.1 -0.565 74.1 -89.9 137.6 160.3 -24.4 10.6 -3.1 62 67 A E S S+ 0 0 98 -2,-0.2 -2,-0.0 -45,-0.1 2,-0.0 -0.662 87.9 46.6 -90.4 156.6 -23.8 12.6 -0.0 63 68 A G S S- 0 0 58 -2,-0.3 -45,-0.0 2,-0.0 0, 0.0 -0.070 96.1 -50.9 91.5 161.3 -21.2 11.2 2.3 64 69 A R - 0 0 164 1,-0.1 2,-0.1 -47,-0.0 -2,-0.1 -0.196 57.4 -93.1 -83.9 163.8 -17.8 9.8 1.7 65 70 A G - 0 0 7 -4,-0.0 2,-0.3 -50,-0.0 -48,-0.2 -0.350 36.3-163.8 -66.3 151.4 -16.6 7.3 -0.8 66 71 A R E -B 16 0B 51 -50,-2.7 -50,-2.5 -14,-0.1 2,-0.5 -0.968 9.1-152.2-133.5 146.8 -16.3 3.6 0.2 67 72 A I E -BF 15 107B 0 40,-0.6 40,-2.8 -2,-0.3 2,-0.3 -0.993 17.4-170.3-124.0 121.7 -14.4 0.7 -1.5 68 73 A F E -BF 14 106B 0 -54,-2.8 -54,-2.3 -2,-0.5 2,-0.5 -0.835 22.1-132.9-108.0 148.0 -15.8 -2.8 -0.9 69 74 A I E -BF 13 105B 33 36,-2.2 35,-2.6 -2,-0.3 36,-1.3 -0.904 38.2-172.4 -97.6 130.4 -14.2 -6.1 -1.8 70 75 A V E -BF 12 103B 1 -58,-2.4 -58,-0.6 -2,-0.5 33,-0.2 -0.846 26.5-144.5-129.7 155.9 -16.9 -8.1 -3.5 71 76 A E E - F 0 102B 112 31,-2.4 31,-2.4 -2,-0.3 2,-0.2 -0.971 23.5-138.9-123.3 112.0 -17.5 -11.6 -4.8 72 77 A P E - F 0 101B 36 0, 0.0 29,-0.3 0, 0.0 4,-0.1 -0.521 3.8-153.0 -67.9 140.7 -19.6 -11.9 -8.1 73 78 A E S S+ 0 0 82 27,-2.6 2,-0.2 -2,-0.2 28,-0.1 0.729 76.3 21.3 -76.7 -22.9 -22.2 -14.8 -8.3 74 79 A G S S- 0 0 20 26,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.504 100.4 -38.7-135.4-164.8 -22.0 -14.9 -12.0 75 80 A A - 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0 0 16 0, 0.0 -27,-2.6 0, 0.0 -26,-0.5 -0.110 36.2-148.9 -63.3 161.4 -25.6 -10.0 -8.0 101 106 A V E -DF 26 72B 0 -75,-2.4 -75,-3.2 -29,-0.3 2,-0.4 -0.935 8.5-131.3-128.0 156.2 -22.4 -9.6 -6.0 102 107 A W E -DF 25 71B 109 -31,-2.4 -31,-2.4 -2,-0.3 2,-0.7 -0.867 16.4-129.4-104.7 142.4 -21.7 -10.2 -2.3 103 108 A I E + F 0 70B 2 -79,-3.0 -80,-3.0 -2,-0.4 -33,-0.2 -0.787 35.8 163.9 -90.4 118.1 -19.9 -7.7 -0.1 104 109 A V E - 0 0 56 -35,-2.6 2,-0.3 -2,-0.7 -34,-0.2 0.452 59.5 -2.9-114.6 -7.5 -17.1 -9.6 1.7 105 110 A G E - F 0 69B 16 -36,-1.3 -36,-2.2 -84,-0.1 2,-0.4 -0.975 57.0-127.5-170.5 164.2 -14.8 -6.9 3.0 106 111 A E E - F 0 68B 79 -2,-0.3 2,-0.6 -38,-0.3 -38,-0.2 -0.999 22.8-133.6-124.8 131.4 -14.3 -3.1 3.1 107 112 A L E + F 0 67B 23 -40,-2.8 -40,-0.6 -2,-0.4 3,-0.1 -0.797 28.0 171.0 -88.7 122.5 -11.0 -1.5 2.2 108 113 A T + 0 0 125 -2,-0.6 2,-1.2 1,-0.1 -1,-0.2 0.657 57.7 74.0-101.5 -28.1 -10.0 1.0 4.7 109 114 A D + 0 0 129 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.514 69.6 102.7-102.7 71.6 -6.4 1.9 3.6 110 115 A W - 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