==== 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 28-SEP-07 2VD2 . COMPND 2 MOLECULE: ATP PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR B.LOHKAMP,A.RIBOLDI-TUNNICLIFE,A.J.LAPTHORN . 212 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 0 0.0 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 . 19 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 3.3 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 0 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 1 2 0 2 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 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 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 0 A A 0 0 159 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.2 4.6 54.5 5.6 2 1 A M + 0 0 113 3,-0.0 2,-0.2 2,-0.0 0, 0.0 -0.824 360.0 87.7-177.8 141.7 3.7 51.1 4.0 3 2 A G + 0 0 65 -2,-0.2 2,-1.3 0, 0.0 0, 0.0 -0.804 60.0 27.0 174.3-128.7 3.1 49.5 0.6 4 3 A K + 0 0 180 -2,-0.2 -2,-0.0 2,-0.0 0, 0.0 -0.063 64.9 148.4 -84.1 33.8 4.3 47.7 -2.6 5 4 A L - 0 0 49 -2,-1.3 2,-0.4 44,-0.1 44,-0.2 0.036 35.6-146.9 -60.4 163.3 7.5 45.8 -1.4 6 5 A L E -a 49 0A 0 42,-1.6 44,-2.2 190,-0.0 2,-0.7 -0.914 9.4-152.6-139.6 114.5 8.8 42.4 -2.8 7 6 A T E -a 50 0A 21 -2,-0.4 63,-1.8 42,-0.2 62,-1.7 -0.742 12.9-169.0 -97.0 114.8 10.6 40.2 -0.4 8 7 A M E -ab 51 70A 0 42,-3.2 44,-2.4 -2,-0.7 2,-0.4 -0.927 13.0-143.8-111.0 123.9 13.1 38.0 -2.1 9 8 A A E -ab 52 71A 0 61,-3.2 63,-1.7 -2,-0.6 44,-0.2 -0.666 19.6-170.9 -79.0 132.0 14.7 35.0 -0.3 10 9 A M E -a 53 0A 0 42,-3.6 44,-2.0 -2,-0.4 2,-0.5 -0.968 26.5-118.9-121.3 146.3 18.3 34.5 -1.2 11 10 A P E -a 54 0A 2 0, 0.0 44,-0.2 0, 0.0 5,-0.2 -0.715 15.4-149.8 -79.0 123.3 20.4 31.5 -0.2 12 11 A K + 0 0 91 42,-3.9 43,-0.2 -2,-0.5 5,-0.1 0.521 67.2 104.3 -74.7 -0.7 23.3 32.9 1.9 13 12 A G S > S- 0 0 30 41,-0.3 3,-1.0 3,-0.1 4,-0.4 0.340 102.0 -68.8 -59.9-165.1 25.4 29.9 0.5 14 13 A R T > S+ 0 0 207 1,-0.2 3,-1.6 2,-0.2 4,-0.5 0.980 133.4 64.0 -51.3 -53.5 28.1 30.1 -2.2 15 14 A I T 3> S+ 0 0 22 1,-0.3 4,-4.5 2,-0.2 5,-0.4 0.694 78.1 86.9 -44.3 -30.3 25.3 30.9 -4.7 16 15 A F H <> S+ 0 0 7 -3,-1.0 4,-3.4 1,-0.3 -1,-0.3 0.876 91.8 44.8 -37.2 -55.3 24.4 34.1 -2.9 17 16 A E H <> S+ 0 0 115 -3,-1.6 4,-2.1 -4,-0.4 -1,-0.3 0.906 119.0 40.6 -61.3 -44.6 27.1 36.0 -4.9 18 17 A E H > S+ 0 0 90 -4,-0.5 4,-2.2 -3,-0.3 -2,-0.2 0.892 116.1 50.8 -74.1 -40.2 26.0 34.4 -8.2 19 18 A A H X S+ 0 0 0 -4,-4.5 4,-1.5 2,-0.2 -2,-0.2 0.916 111.7 49.2 -54.8 -45.3 22.3 34.7 -7.3 20 19 A A H X S+ 0 0 0 -4,-3.4 4,-2.8 -5,-0.4 -2,-0.2 0.905 108.3 54.2 -62.9 -41.2 23.1 38.4 -6.5 21 20 A G H X S+ 0 0 25 -4,-2.1 4,-3.8 2,-0.2 5,-0.3 0.898 100.4 58.9 -60.3 -44.7 24.8 38.7 -9.8 22 21 A L H X S+ 0 0 0 -4,-2.2 4,-4.6 2,-0.2 -1,-0.2 0.927 111.2 42.7 -50.0 -50.1 21.8 37.4 -11.8 23 22 A L H X>S+ 0 0 0 -4,-1.5 5,-1.8 2,-0.3 4,-1.0 0.980 111.5 51.7 -61.9 -58.4 19.8 40.3 -10.3 24 23 A R H ><5S+ 0 0 83 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.930 119.3 39.7 -41.9 -52.9 22.5 42.9 -10.8 25 24 A Q H 3<5S+ 0 0 117 -4,-3.8 -2,-0.3 1,-0.3 -1,-0.2 0.909 108.7 58.6 -62.5 -47.5 22.6 41.6 -14.4 26 25 A A H 3<5S- 0 0 9 -4,-4.6 -1,-0.3 -5,-0.3 -2,-0.2 0.477 129.4-102.4 -65.9 -0.3 18.8 41.2 -14.6 27 26 A G T <<5S+ 0 0 44 -3,-1.3 2,-0.7 -4,-1.0 -3,-0.2 0.810 72.8 144.1 93.5 34.8 19.0 44.9 -13.7 28 27 A Y < - 0 0 3 -5,-1.8 2,-2.1 -6,-0.1 -1,-0.2 -0.920 50.5-131.5-107.7 111.5 18.2 45.3 -10.1 29 28 A R + 0 0 49 -2,-0.7 18,-0.2 17,-0.1 17,-0.1 -0.401 35.9 177.7 -69.3 82.5 20.2 48.0 -8.5 30 29 A L - 0 0 14 -2,-2.1 14,-0.1 -10,-0.1 5,-0.0 -0.596 38.0 -95.9 -78.5 147.3 21.5 46.2 -5.5 31 30 A P > - 0 0 61 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.264 42.0-103.1 -66.5 158.5 23.9 48.0 -3.2 32 31 A E G > S+ 0 0 163 1,-0.3 3,-0.7 2,-0.1 -2,-0.1 0.882 113.3 29.7 -56.6 -59.7 27.6 47.4 -3.8 33 32 A E G 3 S+ 0 0 116 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 -0.167 77.5 118.0-102.4 37.1 28.6 45.0 -1.0 34 33 A F G X S+ 0 0 7 -3,-1.6 3,-1.7 2,-0.2 -1,-0.2 0.890 73.1 64.8 -43.2 -48.5 25.2 43.5 -0.7 35 34 A E T < S+ 0 0 9 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.1 0.840 108.4 34.6 -56.8 -39.6 27.2 40.4 -1.6 36 35 A D T 3 S+ 0 0 94 -3,-0.1 -1,-0.3 -19,-0.0 -2,-0.2 0.369 88.5 143.0 -92.7 5.4 29.3 40.5 1.6 37 36 A S < - 0 0 19 -3,-1.7 -3,-0.1 -4,-0.2 5,-0.1 -0.158 39.0-162.7 -51.8 130.7 26.4 41.7 3.7 38 37 A R + 0 0 197 2,-0.0 -1,-0.2 0, 0.0 -4,-0.1 0.816 60.5 103.6 -76.5 -32.5 26.3 40.2 7.2 39 38 A K - 0 0 147 1,-0.1 3,-0.2 2,-0.0 14,-0.0 -0.003 65.5-145.2 -57.6 153.7 22.6 41.2 7.6 40 39 A L S S+ 0 0 122 1,-0.3 13,-4.2 12,-0.1 2,-0.4 0.635 90.3 32.4 -90.2 -18.9 19.9 38.6 7.3 41 40 A I E S+C 52 0A 88 11,-0.3 2,-0.4 -32,-0.1 -1,-0.3 -0.876 74.0 180.0-145.6 99.5 17.3 40.9 5.7 42 41 A I E -C 51 0A 13 9,-1.4 9,-4.5 -2,-0.4 2,-0.3 -0.859 14.5-142.7-112.3 145.5 18.6 43.7 3.5 43 42 A D E -C 50 0A 74 -2,-0.4 7,-0.3 7,-0.3 3,-0.1 -0.805 16.6-171.3-109.2 142.1 16.4 46.3 1.6 44 43 A V E > > +C 49 0A 2 5,-3.5 3,-1.7 -2,-0.3 5,-1.3 -0.653 15.5 173.0-124.2 75.8 16.8 47.8 -1.8 45 44 A P G > 5S+ 0 0 107 0, 0.0 3,-2.9 0, 0.0 -1,-0.2 0.916 75.0 58.4 -50.4 -50.8 14.1 50.5 -1.5 46 45 A E G 3 5S+ 0 0 143 1,-0.3 -17,-0.1 -3,-0.1 -16,-0.1 0.702 114.5 37.1 -53.6 -27.3 15.0 52.1 -4.8 47 46 A E G < 5S- 0 0 52 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.059 113.2-114.7-114.4 22.2 14.4 48.8 -6.7 48 47 A N T < 5S+ 0 0 48 -3,-2.9 -42,-1.6 1,-0.2 2,-0.2 0.397 72.9 127.6 69.6 -1.7 11.4 47.7 -4.5 49 48 A L E < -aC 6 44A 1 -5,-1.3 -5,-3.5 -44,-0.2 2,-0.4 -0.578 40.8-172.9 -97.8 151.2 13.1 44.7 -3.0 50 49 A R E -aC 7 43A 80 -44,-2.2 -42,-3.2 -7,-0.3 2,-0.4 -0.978 21.0-156.1-128.7 125.8 13.7 43.4 0.4 51 50 A F E -aC 8 42A 0 -9,-4.5 -9,-1.4 -2,-0.4 2,-0.5 -0.812 9.3-157.4-101.8 142.4 16.0 40.4 0.6 52 51 A I E -aC 9 41A 21 -44,-2.4 -42,-3.6 -2,-0.4 2,-1.3 -0.980 15.1-142.5-112.5 134.6 16.2 37.8 3.2 53 52 A L E -a 10 0A 4 -13,-4.2 2,-0.1 -2,-0.5 -44,-0.1 -0.741 30.4-176.2 -96.1 80.9 19.4 36.0 3.4 54 53 A A E -a 11 0A 3 -44,-2.0 -42,-3.9 -2,-1.3 -41,-0.3 -0.455 38.3-103.5 -71.2 149.4 18.2 32.6 4.2 55 54 A K >> - 0 0 157 -44,-0.2 3,-1.9 -43,-0.2 4,-0.8 -0.607 51.0-108.3 -60.0 138.3 20.5 29.7 4.8 56 55 A P T 34 S+ 0 0 29 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.729 116.5 57.0 -58.9 -28.8 20.0 27.9 1.5 57 56 A M T 3> S+ 0 0 65 1,-0.2 4,-0.6 2,-0.1 3,-0.2 0.809 109.9 49.3 -67.8 -24.2 17.9 25.0 2.6 58 57 A D H <> S+ 0 0 65 -3,-1.9 4,-2.1 1,-0.2 5,-0.3 0.653 80.8 93.2 -86.5 -18.2 15.4 27.5 4.0 59 58 A V H X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.4 5,-0.2 0.925 92.9 42.1 -48.7 -52.7 15.1 29.7 1.0 60 59 A T H > S+ 0 0 0 -4,-0.5 4,-4.2 2,-0.2 5,-0.4 0.982 108.2 61.9 -57.4 -55.8 12.1 27.7 -0.2 61 60 A T H X S+ 0 0 43 -4,-0.6 4,-2.1 1,-0.3 5,-0.3 0.847 108.3 42.0 -28.2 -68.2 10.7 27.6 3.4 62 61 A Y H >X>S+ 0 0 93 -4,-2.1 5,-1.8 1,-0.3 4,-0.9 0.928 118.2 45.8 -52.4 -52.4 10.4 31.3 3.5 63 62 A V H ><5S+ 0 0 0 -4,-2.4 3,-1.3 -5,-0.3 -1,-0.3 0.919 108.1 57.9 -56.5 -43.8 9.1 31.4 -0.0 64 63 A E H 3<5S+ 0 0 66 -4,-4.2 -1,-0.2 1,-0.3 -2,-0.2 0.830 112.6 40.4 -55.9 -34.8 6.7 28.5 0.8 65 64 A H H <<5S- 0 0 130 -4,-2.1 -1,-0.3 -3,-0.7 -2,-0.2 0.504 112.3-120.0 -92.3 -6.3 5.2 30.6 3.6 66 65 A G T <<5S+ 0 0 25 -3,-1.3 -3,-0.2 -4,-0.9 3,-0.2 0.669 80.6 125.6 73.4 14.3 5.2 33.8 1.6 67 66 A V S - 0 0 0 -2,-1.6 3,-2.2 107,-0.3 107,-0.2 -0.328 36.3-118.5 -42.2 100.5 19.7 27.1 -4.8 75 74 A K T 3> S+ 0 0 5 -2,-0.4 4,-1.0 1,-0.3 3,-0.4 0.461 104.7 91.8 -47.0 -18.7 18.3 23.7 -5.5 76 75 A D H >> S+ 0 0 29 1,-0.3 3,-1.0 2,-0.2 4,-0.8 0.871 88.1 54.2 -26.5 -49.9 19.9 22.4 -2.3 77 76 A V H X4 S+ 0 0 0 -3,-2.2 3,-1.6 -21,-0.3 4,-0.4 0.953 105.0 49.8 -54.0 -51.7 16.4 23.5 -1.0 78 77 A M H 34 S+ 0 0 37 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.431 95.3 73.7 -78.6 1.0 14.6 21.3 -3.6 79 78 A L H << S+ 0 0 15 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.817 80.3 75.3 -70.5 -39.9 16.9 18.4 -2.5 80 79 A E S << S- 0 0 33 -3,-1.6 2,-0.2 -4,-0.8 -2,-0.2 0.901 113.4 -88.9 -33.5 -71.7 14.7 18.3 0.6 81 80 A E - 0 0 159 -4,-0.4 2,-0.3 40,-0.0 -1,-0.1 -0.897 63.3 -34.2-175.2-155.1 11.8 16.6 -1.3 82 81 A E S S+ 0 0 94 -2,-0.2 2,-0.3 -3,-0.1 -3,-0.0 -0.732 71.1 149.3 -85.8 137.6 8.6 17.6 -3.3 83 82 A R - 0 0 81 -2,-0.3 2,-0.7 2,-0.1 -5,-0.0 -0.952 45.6 -69.8-163.7 171.2 6.9 20.8 -2.1 84 83 A D S S+ 0 0 90 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.653 72.2 96.7 -90.4 109.1 4.8 23.9 -2.9 85 84 A V S S- 0 0 17 -2,-0.7 2,-0.3 101,-0.1 101,-0.2 -0.783 73.1-106.2-172.2 142.9 6.3 26.8 -4.9 86 85 A Y E -E 185 0A 120 99,-2.3 99,-1.9 -2,-0.3 2,-1.1 -0.621 26.5-143.7 -67.8 132.1 6.1 27.5 -8.5 87 86 A E E +E 184 0A 95 -2,-0.3 97,-0.2 97,-0.2 3,-0.2 -0.805 30.3 174.6 -93.6 84.0 9.6 26.6 -9.9 88 87 A V E + 0 0 62 -2,-1.1 2,-0.3 95,-1.0 -1,-0.2 0.923 53.0 0.2 -60.4 -47.7 9.4 29.5 -12.3 89 88 A L E -E 183 0A 25 94,-1.5 94,-2.9 -3,-0.2 -1,-0.2 -0.944 57.7-131.0-159.5 118.0 12.8 29.4 -13.9 90 89 A D E -E 182 0A 73 -2,-0.3 92,-0.3 92,-0.3 118,-0.1 -0.429 15.0-160.0 -64.0 141.9 16.1 27.5 -13.8 91 90 A L > + 0 0 0 90,-1.9 2,-5.4 -2,-0.1 3,-3.0 -0.431 14.3 176.0-119.6 53.4 19.1 29.7 -13.4 92 91 A N T 3 + 0 0 107 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.107 67.6 85.4 -62.2 38.5 21.6 27.3 -14.7 93 92 A I T 3 S+ 0 0 68 -2,-5.4 2,-2.2 1,-0.1 -1,-0.3 0.714 78.1 63.0 -84.1 -42.9 23.9 30.2 -14.3 94 93 A S S < S+ 0 0 3 -3,-3.0 -2,-0.1 87,-0.1 -79,-0.1 -0.117 89.9 179.3 -82.2 48.9 24.4 29.3 -10.6 95 94 A K + 0 0 63 -2,-2.2 2,-0.2 -3,-0.1 85,-0.1 0.236 24.2 94.6 -72.4 171.3 26.0 26.0 -11.4 96 95 A C - 0 0 37 83,-0.2 83,-1.0 64,-0.1 2,-0.3 -0.736 46.5-141.8 136.3-177.6 27.5 23.0 -9.5 97 96 A H E -FG 159 178B 0 62,-2.5 62,-2.8 -2,-0.2 2,-0.4 -0.975 16.4 -82.0-166.7 175.6 25.9 19.6 -8.4 98 97 A L E +FG 158 177B 1 79,-2.0 78,-1.8 -2,-0.3 79,-0.7 -0.798 47.5 164.7-101.6 132.0 25.3 16.7 -6.0 99 98 A A E -FG 157 175B 0 58,-3.6 58,-3.8 -2,-0.4 2,-0.6 -0.922 44.1-119.8-144.0 155.9 27.7 13.7 -5.9 100 99 A V E +FG 156 174B 0 74,-2.2 73,-3.7 -2,-0.3 74,-2.4 -0.910 53.7 161.0 -89.3 120.6 28.9 10.6 -4.1 101 100 A A E +FG 155 172B 0 54,-2.7 54,-2.8 -2,-0.6 2,-0.3 -0.921 15.3 161.6-141.7 170.2 32.5 11.4 -3.5 102 101 A G E -FG 154 171B 0 69,-2.1 69,-1.7 -2,-0.3 52,-0.2 -0.848 49.1 -39.0-169.5-168.2 35.2 10.3 -1.2 103 102 A L > - 0 0 39 50,-0.6 3,-1.5 -2,-0.3 67,-0.1 -0.521 66.0 -96.4 -88.7 145.7 38.9 10.4 -0.9 104 103 A P T 3 S+ 0 0 62 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.657 105.7 7.8 -20.6 -83.7 41.3 10.0 -3.9 105 104 A N T 3 S+ 0 0 168 2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.408 98.7 110.0-114.3 52.2 42.5 6.4 -4.3 106 105 A T < - 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