==== 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 25-MAY-05 2CU2 . COMPND 2 MOLECULE: PUTATIVE MANNOSE-1-PHOSPHATE GUANYLYL TRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.SUGAHARA,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 11.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 28 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 2 0 1 2 0 2 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 2 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 PARALLEL BRIDGES PER LADDER . 2 3 1 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 . 2 0 1 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 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 0 138 0, 0.0 2,-1.1 0, 0.0 99,-0.1 0.000 360.0 360.0 360.0-176.5 39.3 28.0 9.0 2 2 A K + 0 0 61 97,-0.1 99,-2.6 101,-0.0 100,-1.5 -0.653 360.0 177.0 -73.7 102.8 37.3 30.4 11.1 3 3 A T E -a 102 0A 14 -2,-1.1 2,-0.3 98,-0.2 100,-0.2 -0.922 16.4-162.1-114.0 132.6 36.9 28.3 14.2 4 4 A Y E -a 103 0A 5 98,-2.9 100,-2.5 -2,-0.4 2,-0.4 -0.788 10.1-145.7-107.9 156.1 35.1 29.4 17.4 5 5 A A E -ab 104 54A 0 48,-2.4 50,-3.9 -2,-0.3 2,-0.6 -0.988 3.2-156.9-127.4 130.5 35.6 27.7 20.8 6 6 A L E -ab 105 55A 0 98,-3.8 100,-2.7 -2,-0.4 2,-0.7 -0.935 8.4-164.3-106.7 116.9 32.9 27.3 23.4 7 7 A V E -ab 106 56A 0 48,-3.7 50,-1.9 -2,-0.6 2,-0.7 -0.879 9.4-151.2-104.2 107.5 34.4 26.7 26.9 8 8 A M E -ab 107 57A 21 98,-2.7 100,-1.8 -2,-0.7 2,-0.6 -0.674 11.7-171.4 -85.6 112.8 31.7 25.4 29.3 9 9 A A + 0 0 7 48,-3.1 50,-0.3 -2,-0.7 2,-0.3 -0.906 33.0 109.7-104.4 118.1 32.4 26.4 32.9 10 10 A G + 0 0 34 -2,-0.6 98,-0.1 48,-0.1 16,-0.0 -0.932 11.3 104.3-164.7-172.5 30.1 24.7 35.4 11 11 A G - 0 0 49 -2,-0.3 15,-2.2 15,-0.1 -1,-0.0 0.500 49.6-132.4 93.4 119.0 29.7 22.2 38.2 12 12 A R - 0 0 156 13,-0.2 9,-0.2 14,-0.1 12,-0.1 0.860 32.9-145.9 -64.6 -34.8 29.3 23.1 42.0 13 13 A G > + 0 0 13 12,-0.1 3,-1.5 7,-0.1 7,-0.3 0.948 33.8 166.5 66.1 48.2 31.9 20.4 42.7 14 14 A E G > S+ 0 0 43 1,-0.3 3,-1.5 2,-0.2 316,-0.2 0.790 71.3 64.5 -65.7 -27.7 30.3 19.4 46.0 15 15 A R G 3 S+ 0 0 54 1,-0.3 244,-0.6 242,-0.2 -1,-0.3 0.650 96.7 59.7 -70.1 -12.4 32.5 16.3 46.0 16 16 A L G X> S+ 0 0 0 -3,-1.5 4,-1.3 242,-0.1 3,-1.3 0.105 88.2 168.7-102.6 23.0 35.4 18.7 46.3 17 17 A W T <4 + 0 0 32 -3,-1.5 242,-0.1 1,-0.3 4,-0.1 -0.466 55.7 30.7 -67.5 147.3 34.3 20.3 49.5 18 18 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.981 122.8 51.6 -84.5 0.2 35.8 22.2 51.4 19 19 A L T <4 S+ 0 0 11 -3,-1.3 -2,-0.2 -6,-0.1 2,-0.1 0.910 100.2 73.5 -65.5 -41.8 37.8 23.5 48.5 20 20 A S < - 0 0 13 -4,-1.3 2,-0.3 -7,-0.3 -7,-0.1 -0.390 68.1-166.7 -75.3 151.8 34.6 24.3 46.5 21 21 A R B > -J 24 0B 121 3,-2.5 3,-0.6 -9,-0.2 -2,-0.0 -0.850 35.6-110.1-132.9 164.7 32.4 27.2 47.4 22 22 A E T 3 S+ 0 0 158 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.947 125.9 32.6 -59.2 -46.3 28.9 28.6 46.7 23 23 A D T 3 S+ 0 0 77 1,-0.2 -1,-0.2 -3,-0.1 42,-0.1 0.262 116.8 66.7 -95.7 12.1 30.5 31.5 44.8 24 24 A R B < S-J 21 0B 88 -3,-0.6 -3,-2.5 -12,-0.1 -1,-0.2 -0.743 70.8-166.0-137.5 89.0 33.3 29.3 43.6 25 25 A P > - 0 0 10 0, 0.0 3,-2.1 0, 0.0 -13,-0.2 -0.115 41.3 -89.8 -67.6 169.2 32.4 26.5 41.2 26 26 A K G > S+ 0 0 9 -15,-2.2 3,-1.8 1,-0.3 11,-0.4 0.867 122.2 60.0 -50.3 -46.9 34.7 23.6 40.4 27 27 A P G 3 S+ 0 0 0 0, 0.0 11,-1.9 0, 0.0 12,-0.4 0.663 102.1 56.2 -59.8 -17.4 36.4 25.4 37.4 28 28 A F G < S+ 0 0 10 -3,-2.1 -2,-0.2 8,-0.1 8,-0.1 0.114 80.4 115.5-105.5 22.2 37.6 28.1 39.7 29 29 A L < - 0 0 3 -3,-1.8 2,-1.1 6,-0.1 8,-0.6 -0.786 68.4-124.3 -98.4 133.0 39.5 26.1 42.2 30 30 A P B +K 36 0C 56 0, 0.0 6,-0.3 0, 0.0 5,-0.1 -0.564 59.1 134.3 -74.4 100.6 43.3 26.3 42.7 31 31 A L > + 0 0 1 4,-2.7 3,-1.2 -2,-1.1 246,-0.5 0.643 46.8 33.2-113.4 -96.3 44.3 22.7 42.1 32 32 A F G > S- 0 0 20 3,-0.3 3,-2.0 1,-0.3 -1,-0.3 -0.530 133.3 -4.4 -77.2 128.1 47.2 21.4 40.0 33 33 A E G 3 S- 0 0 164 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.652 124.0 -72.6 66.7 10.2 50.3 23.6 39.9 34 34 A G G < S+ 0 0 34 -3,-1.2 -1,-0.3 1,-0.3 2,-0.2 0.530 105.5 130.0 82.0 3.3 48.3 26.1 41.9 35 35 A K < - 0 0 48 -3,-2.0 -4,-2.7 -5,-0.1 -3,-0.3 -0.601 62.3-120.4 -89.0 145.5 46.2 26.8 38.8 36 36 A T B > -K 30 0C 15 -6,-0.3 4,-2.1 -2,-0.2 5,-0.2 -0.547 28.3-119.3 -73.7 153.7 42.5 26.7 38.4 37 37 A L H > S+ 0 0 6 -8,-0.6 4,-2.0 -11,-0.4 73,-0.2 0.883 116.1 53.0 -63.7 -32.3 41.3 24.2 35.8 38 38 A L H > S+ 0 0 0 -11,-1.9 4,-2.7 2,-0.2 5,-0.2 0.916 106.9 54.0 -66.9 -40.0 39.7 26.9 33.7 39 39 A E H > S+ 0 0 83 -12,-0.4 4,-2.0 1,-0.2 -2,-0.2 0.936 110.6 44.1 -57.6 -50.4 43.1 28.7 33.8 40 40 A A H X S+ 0 0 15 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.846 112.8 54.5 -64.7 -34.1 44.9 25.7 32.5 41 41 A T H X S+ 0 0 3 -4,-2.0 4,-1.7 67,-0.2 -2,-0.2 0.929 108.6 45.6 -65.7 -48.6 42.2 25.1 29.9 42 42 A L H X S+ 0 0 26 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.897 113.8 49.6 -63.1 -40.4 42.4 28.6 28.4 43 43 A E H < S+ 0 0 97 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.895 111.6 49.2 -64.6 -40.6 46.2 28.5 28.3 44 44 A R H < S+ 0 0 11 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.790 115.2 44.9 -68.0 -31.6 46.0 25.1 26.6 45 45 A L H >X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.1 3,-1.7 0.806 90.7 82.3 -85.3 -32.7 43.5 26.4 24.0 46 46 A A T 3< S+ 0 0 44 -4,-2.3 -1,-0.1 1,-0.3 -2,-0.1 0.842 88.8 52.3 -41.5 -53.2 45.1 29.8 23.1 47 47 A P T 34 S+ 0 0 91 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.769 119.3 36.6 -59.1 -26.9 47.6 28.4 20.6 48 48 A L T <4 S+ 0 0 50 -3,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.884 130.9 20.1 -92.4 -48.3 44.8 26.6 18.7 49 49 A V S < S- 0 0 3 -4,-2.8 -1,-0.3 3,-0.0 -45,-0.1 -0.979 84.8-125.0-127.1 119.0 41.9 29.0 19.0 50 50 A P > - 0 0 41 0, 0.0 3,-0.9 0, 0.0 -45,-0.2 -0.157 22.2-114.7 -60.3 155.2 42.5 32.7 19.8 51 51 A P G > S+ 0 0 47 0, 0.0 3,-2.2 0, 0.0 23,-0.4 0.871 114.1 63.2 -57.3 -40.4 40.8 34.4 22.8 52 52 A E G 3 S+ 0 0 111 1,-0.3 20,-0.1 21,-0.1 22,-0.1 0.853 107.6 43.0 -53.7 -35.4 38.9 36.7 20.5 53 53 A R G < S+ 0 0 81 -3,-0.9 -48,-2.4 -50,-0.1 2,-0.5 0.112 96.9 101.6 -99.3 21.3 37.1 33.6 19.0 54 54 A T E < -b 5 0A 3 -3,-2.2 20,-2.3 18,-0.2 2,-0.5 -0.903 54.1-159.5-111.1 133.8 36.6 31.9 22.4 55 55 A L E -bc 6 74A 1 -50,-3.9 -48,-3.7 -2,-0.5 2,-0.8 -0.937 3.7-157.1-112.9 125.0 33.3 31.9 24.3 56 56 A L E -bc 7 75A 0 18,-3.6 20,-2.6 -2,-0.5 2,-0.5 -0.860 9.7-158.7-105.1 104.1 33.2 31.3 28.0 57 57 A A E +bc 8 76A 0 -50,-1.9 -48,-3.1 -2,-0.8 2,-0.3 -0.715 25.9 149.1 -86.7 123.3 29.8 30.0 29.2 58 58 A V E - c 0 77A 2 18,-1.8 20,-3.2 -2,-0.5 -48,-0.1 -0.957 49.8 -81.2-145.8 160.6 29.1 30.4 32.9 59 59 A R E > - c 0 78A 76 -50,-0.3 3,-1.5 -2,-0.3 4,-0.1 -0.261 38.5-119.3 -63.4 151.6 26.0 30.9 35.1 60 60 A R G > S+ 0 0 118 18,-2.5 3,-1.2 1,-0.3 4,-0.2 0.869 114.2 53.9 -59.5 -37.6 24.7 34.5 35.4 61 61 A D G 3 S+ 0 0 103 17,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.518 103.5 59.0 -78.6 -0.3 25.3 34.5 39.2 62 62 A Q G <> + 0 0 25 -3,-1.5 4,-1.6 1,-0.1 -1,-0.2 0.243 67.9 108.7-108.9 11.9 28.9 33.6 38.6 63 63 A E H <> S+ 0 0 70 -3,-1.2 4,-2.5 1,-0.2 -1,-0.1 0.871 73.0 61.1 -55.4 -37.3 29.9 36.5 36.4 64 64 A A H 4 S+ 0 0 85 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 0.968 109.4 36.8 -56.6 -58.0 32.0 38.0 39.3 65 65 A V H 4 S+ 0 0 19 1,-0.2 -1,-0.2 -42,-0.1 -2,-0.2 0.741 121.7 48.0 -68.2 -22.8 34.5 35.1 39.6 66 66 A A H >X S+ 0 0 0 -4,-1.6 3,-2.2 1,-0.1 4,-0.7 0.784 90.4 78.0 -88.6 -28.3 34.5 34.5 35.8 67 67 A R G >< S+ 0 0 125 -4,-2.5 3,-1.8 1,-0.3 -2,-0.1 0.863 83.4 63.8 -55.2 -43.5 35.0 38.1 34.6 68 68 A P G 34 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.775 101.8 54.5 -49.4 -25.6 38.7 38.2 35.3 69 69 A Y G <4 S+ 0 0 47 -3,-2.2 2,-2.9 1,-0.2 4,-0.4 0.740 81.8 93.3 -80.6 -22.5 39.1 35.4 32.7 70 70 A A << + 0 0 26 -3,-1.8 2,-0.9 -4,-0.7 -1,-0.2 -0.291 44.9 143.6 -74.1 64.4 37.2 37.5 30.0 71 71 A D S S- 0 0 134 -2,-2.9 3,-0.1 1,-0.1 -1,-0.1 -0.830 94.7 -30.0-105.8 94.1 40.4 38.9 28.5 72 72 A G S S+ 0 0 45 -2,-0.9 -18,-0.2 1,-0.4 2,-0.2 -0.093 124.2 108.6 82.5 -35.5 39.5 39.0 24.8 73 73 A I S S- 0 0 19 -4,-0.4 2,-0.4 -20,-0.1 -1,-0.4 -0.488 70.9-131.3 -66.6 139.7 37.4 36.0 25.6 74 74 A R E -c 55 0A 83 -20,-2.3 -18,-3.6 -23,-0.4 2,-0.4 -0.799 11.9-131.3 -98.8 136.7 33.7 36.7 25.6 75 75 A L E -c 56 0A 25 -2,-0.4 2,-0.7 -20,-0.2 -18,-0.2 -0.709 11.9-163.1 -84.3 133.6 31.4 35.7 28.4 76 76 A L E -c 57 0A 25 -20,-2.6 -18,-1.8 -2,-0.4 2,-0.6 -0.917 17.2-152.5-113.8 101.9 28.2 33.8 27.6 77 77 A L E -c 58 0A 47 -2,-0.7 -18,-0.2 -20,-0.2 -17,-0.1 -0.673 1.2-148.3 -82.4 117.8 26.1 34.2 30.7 78 78 A E E -c 59 0A 16 -20,-3.2 -18,-2.5 -2,-0.6 -17,-0.3 -0.762 1.0-154.8 -86.2 116.7 23.6 31.4 31.2 79 79 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.826 77.3 7.6 -60.1 -34.3 20.5 32.7 33.0 80 80 A L S S- 0 0 65 -20,-0.1 2,-0.8 -3,-0.1 146,-0.0 -0.902 90.8 -87.6-139.5 165.7 19.6 29.3 34.5 81 81 A G + 0 0 21 -2,-0.3 3,-0.1 1,-0.1 149,-0.0 -0.714 52.1 152.2 -79.9 114.0 21.2 25.9 34.7 82 82 A R > - 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0 0 11 -5,-3.1 -1,-0.2 -6,-0.2 -97,-0.2 -0.411 28.2-161.2 -70.2 140.9 32.0 30.5 12.1 101 101 A E S S+ 0 0 91 -99,-2.6 2,-0.3 1,-0.2 -98,-0.2 0.655 79.1 27.1 -91.6 -20.2 32.9 27.4 9.9 102 102 A R E -a 3 0A 36 -100,-1.5 -98,-2.9 91,-0.2 2,-0.4 -1.000 62.1-161.1-145.2 143.1 33.7 25.3 13.0 103 103 A L E -aD 4 192A 0 89,-2.6 89,-1.9 -2,-0.3 2,-0.5 -0.992 7.3-160.7-127.6 126.7 32.7 25.2 16.6 104 104 A L E -aD 5 191A 0 -100,-2.5 -98,-3.8 -2,-0.4 2,-0.5 -0.895 7.7-161.7-105.6 131.0 34.8 23.4 19.2 105 105 A V E +aD 6 190A 0 85,-3.0 85,-2.5 -2,-0.5 -98,-0.2 -0.966 18.7 161.9-118.0 124.1 33.0 22.6 22.5 106 106 A L E -a 7 0A 0 -100,-2.7 -98,-2.7 -2,-0.5 83,-0.2 -0.997 35.4-118.8-145.7 147.6 34.9 21.7 25.6 107 107 A P E -a 8 0A 14 0, 0.0 3,-0.3 0, 0.0 -98,-0.2 -0.443 11.6-154.7 -76.0 150.0 34.7 21.5 29.5 108 108 A A S S+ 0 0 0 -100,-1.8 -67,-0.2 1,-0.2 -68,-0.1 0.366 84.0 70.5-106.0 1.5 36.8 23.7 31.7 109 109 A D S S+ 0 0 28 -101,-0.3 2,-0.3 -71,-0.1 -1,-0.2 -0.050 78.1 99.8-111.3 32.8 36.8 21.4 34.7 110 110 A H - 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