==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-MAR-10 3MCM . COMPND 2 MOLECULE: 2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. HOLARCTI . AUTHOR C.W.PEMBLE IV,P.K.MEHTA,S.MEHRA,Z.LI,R.E.LEE,S.W.WHITE . 745 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 544 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 9.5 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 . 1 0.1 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 . 58 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 2 2 0 2 4 2 1 3 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 7 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 . 1 4 2 0 3 1 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 . 2 0 0 0 2 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 0 A H 0 0 209 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.8 -17.1 46.3 -77.7 2 1 A M - 0 0 83 59,-0.1 2,-0.4 57,-0.0 59,-0.2 -0.901 360.0-163.1-114.6 138.1 -13.5 45.6 -78.7 3 2 A V E -A 60 0A 39 57,-3.4 57,-2.1 -2,-0.4 2,-0.7 -0.955 18.9-130.7-119.3 142.0 -10.3 46.7 -76.9 4 3 A Q E -A 59 0A 63 -2,-0.4 86,-0.4 55,-0.2 2,-0.3 -0.793 30.3-173.9 -94.4 113.8 -6.9 46.7 -78.5 5 4 A Y E -A 58 0A 1 53,-2.3 53,-3.1 -2,-0.7 2,-0.6 -0.831 21.2-147.3-108.9 147.6 -4.3 45.0 -76.3 6 5 A I E -AB 57 88A 7 82,-2.7 81,-2.0 -2,-0.3 82,-1.2 -0.957 18.8-161.7-105.7 121.6 -0.5 44.7 -76.7 7 6 A I E -AB 56 86A 0 49,-2.9 49,-2.4 -2,-0.6 2,-0.4 -0.920 7.5-145.8-106.0 123.0 0.7 41.4 -75.2 8 7 A G E -AB 55 85A 8 77,-2.7 77,-2.2 -2,-0.6 2,-0.4 -0.715 16.6-168.4 -85.2 135.9 4.4 41.0 -74.4 9 8 A I E +AB 54 84A 0 45,-2.3 45,-2.3 -2,-0.4 2,-0.3 -0.986 11.5 166.0-133.1 120.1 5.8 37.6 -74.9 10 9 A G E +AB 53 83A 2 73,-1.8 73,-2.9 -2,-0.4 2,-0.3 -0.968 5.0 171.2-133.0 154.9 9.2 36.4 -73.7 11 10 A T E +A 52 0A 2 41,-1.9 41,-2.7 -2,-0.3 71,-0.1 -0.984 17.8 175.8-154.8 149.7 11.0 33.1 -73.3 12 11 A N + 0 0 48 -2,-0.3 2,-0.3 39,-0.2 70,-0.1 0.021 62.5 70.3-145.6 35.7 14.4 31.8 -72.5 13 12 A S S S- 0 0 41 68,-0.5 6,-0.1 3,-0.1 2,-0.1 -0.994 88.4 -5.3-146.8 158.6 14.1 28.0 -72.3 14 13 A G S S- 0 0 43 -2,-0.3 2,-1.1 1,-0.1 3,-0.1 -0.344 122.4 -8.2 64.7-143.9 13.5 25.1 -74.6 15 14 A F S > S- 0 0 33 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.759 75.6-164.3 -91.1 97.0 12.8 25.9 -78.3 16 15 A T H > S+ 0 0 3 -2,-1.1 4,-1.8 212,-0.4 -1,-0.2 0.913 78.6 40.7 -64.6 -55.0 12.4 29.5 -77.9 17 16 A I H > S+ 0 0 4 211,-0.4 4,-2.6 1,-0.2 5,-0.3 0.890 113.0 56.2 -61.3 -38.7 10.7 30.6 -81.1 18 17 A E H > S+ 0 0 48 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.942 104.8 53.4 -58.5 -39.2 8.4 27.6 -81.0 19 18 A N H X S+ 0 0 16 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.921 109.7 48.6 -63.7 -38.5 7.3 28.8 -77.6 20 19 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.954 112.6 45.4 -65.1 -51.0 6.5 32.2 -79.0 21 20 A H H X S+ 0 0 44 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.921 111.8 54.4 -58.1 -44.8 4.5 30.9 -82.0 22 21 A L H X S+ 0 0 78 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.934 108.4 48.1 -55.5 -41.8 2.7 28.5 -79.7 23 22 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.891 114.7 45.9 -65.2 -40.5 1.6 31.3 -77.3 24 23 A I H X S+ 0 0 9 -4,-2.1 4,-3.1 2,-0.2 3,-0.3 0.960 111.2 51.1 -66.0 -54.6 0.4 33.4 -80.3 25 24 A T H X S+ 0 0 79 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.877 108.4 54.0 -47.1 -42.4 -1.4 30.5 -81.9 26 25 A A H X S+ 0 0 22 -4,-2.2 4,-0.6 -5,-0.3 -1,-0.2 0.911 110.8 45.2 -62.5 -40.4 -3.1 29.9 -78.5 27 26 A L H >< S+ 0 0 0 -4,-1.6 3,-1.7 -3,-0.3 -2,-0.2 0.961 112.1 50.6 -64.5 -53.1 -4.3 33.6 -78.4 28 27 A E H 3< S+ 0 0 115 -4,-3.1 5,-0.2 1,-0.3 -2,-0.2 0.864 99.6 67.1 -55.3 -37.7 -5.5 33.5 -82.0 29 28 A S H 3< S+ 0 0 72 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.785 79.0 98.6 -55.2 -27.4 -7.4 30.3 -81.3 30 29 A Q S X< S- 0 0 64 -3,-1.7 3,-1.4 -4,-0.6 -3,-0.0 -0.374 73.0-139.9 -67.9 139.3 -9.8 32.2 -78.9 31 30 A Q T 3 S+ 0 0 195 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.732 103.1 51.6 -74.3 -18.2 -13.1 33.1 -80.6 32 31 A N T 3 S+ 0 0 60 28,-0.1 29,-1.0 29,-0.0 30,-0.5 0.190 99.3 77.9-103.0 19.5 -13.0 36.5 -78.8 33 32 A I E < -C 60 0A 12 -3,-1.4 2,-0.4 -5,-0.2 27,-0.2 -0.986 53.8-170.9-128.4 132.7 -9.4 37.4 -79.9 34 33 A R E -C 59 0A 144 25,-2.7 25,-2.6 -2,-0.4 2,-0.8 -0.975 21.7-134.0-118.7 137.1 -8.2 38.8 -83.2 35 34 A I E +C 58 0A 30 -2,-0.4 23,-0.2 23,-0.2 3,-0.1 -0.793 26.9 173.2 -91.2 109.9 -4.5 39.1 -84.0 36 35 A I E - 0 0 58 21,-2.2 2,-0.3 -2,-0.8 22,-0.2 0.947 60.8 -14.4 -82.1 -52.3 -3.9 42.5 -85.5 37 36 A R E -C 57 0A 117 20,-1.6 20,-3.3 0, 0.0 2,-0.4 -0.982 49.6-141.2-157.7 145.8 -0.1 42.5 -85.7 38 37 A K E -C 56 0A 72 -2,-0.3 18,-0.2 18,-0.2 2,-0.1 -0.849 22.3-140.7-101.9 138.7 3.1 40.8 -84.5 39 38 A A - 0 0 7 16,-2.9 111,-0.2 -2,-0.4 77,-0.1 -0.225 32.7 -82.9 -81.3 179.3 6.3 42.7 -83.7 40 39 A S - 0 0 32 1,-0.1 2,-0.4 109,-0.1 15,-0.3 -0.146 48.3 -94.0 -74.3 176.6 9.9 41.7 -84.4 41 40 A L - 0 0 1 107,-0.6 105,-2.0 105,-0.3 2,-0.4 -0.802 40.8-166.4 -94.8 136.3 11.9 39.3 -82.4 42 41 A Y E -DE 53 145A 13 11,-3.2 11,-3.4 -2,-0.4 2,-0.5 -0.978 8.1-151.7-125.9 142.4 14.2 40.8 -79.8 43 42 A S E +DE 52 144A 0 101,-2.2 101,-1.2 -2,-0.4 2,-0.3 -0.932 19.7 170.3-114.9 129.0 17.1 39.3 -77.8 44 43 A S E -D 51 0A 12 7,-1.4 7,-2.6 -2,-0.5 2,-0.2 -0.930 35.2 -93.8-136.0 163.4 18.1 40.4 -74.4 45 44 A K - 0 0 168 -2,-0.3 2,-0.5 5,-0.2 5,-0.1 -0.497 38.2-110.5 -81.1 140.0 20.4 39.2 -71.6 46 45 A A 0 0 31 -2,-0.2 -1,-0.1 177,-0.1 4,-0.1 -0.545 360.0 360.0 -68.5 117.8 19.3 37.0 -68.7 47 46 A V 0 0 193 -2,-0.5 -1,-0.1 0, 0.0 0, 0.0 -0.256 360.0 360.0 -51.8 360.0 19.4 39.0 -65.5 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 57 A I 0 0 63 0, 0.0 174,-0.2 0, 0.0 173,-0.1 0.000 360.0 360.0 360.0 165.1 20.7 32.0 -71.7 50 58 A R - 0 0 65 172,-0.5 -5,-0.2 175,-0.4 2,-0.2 -0.285 360.0-120.9 -74.1 145.3 19.3 34.9 -73.6 51 59 A F E - D 0 44A 58 -7,-2.6 -7,-1.4 -39,-0.1 2,-0.5 -0.510 12.1-150.2 -74.0 149.0 15.7 35.9 -73.8 52 60 A L E +AD 11 43A 4 -41,-2.7 -41,-1.9 -9,-0.2 2,-0.3 -0.998 26.7 177.0-116.4 120.4 13.6 36.0 -76.9 53 61 A N E +AD 10 42A 13 -11,-3.4 -11,-3.2 -2,-0.5 2,-0.3 -0.926 13.9 148.4-127.5 149.7 10.9 38.7 -76.8 54 62 A T E -A 9 0A 1 -45,-2.3 -45,-2.3 -2,-0.3 2,-0.3 -0.844 28.6-134.4-150.3-170.5 8.3 40.1 -79.0 55 63 A A E -A 8 0A 0 -15,-0.3 -16,-2.9 -2,-0.3 2,-0.4 -0.977 8.4-151.3-148.5 153.4 4.8 41.6 -78.6 56 64 A V E -AC 7 38A 0 -49,-2.4 -49,-2.9 -2,-0.3 2,-0.5 -0.989 10.4-139.9-125.9 141.1 1.5 41.1 -80.4 57 65 A K E +AC 6 37A 25 -20,-3.3 -21,-2.2 -2,-0.4 -20,-1.6 -0.853 30.4 176.6 -98.3 126.7 -1.3 43.5 -80.9 58 66 A I E -AC 5 35A 0 -53,-3.1 -53,-2.3 -2,-0.5 2,-0.4 -0.833 27.5-138.2-126.7 159.7 -4.8 42.0 -80.5 59 67 A S E +AC 4 34A 6 -25,-2.6 -25,-2.7 -2,-0.3 2,-0.3 -0.969 36.4 160.6-114.9 137.7 -8.4 43.1 -80.5 60 68 A S E -AC 3 33A 0 -57,-2.1 -57,-3.4 -2,-0.4 -27,-0.2 -0.995 49.1-145.5-159.5 148.3 -10.6 41.5 -77.9 61 69 A S + 0 0 55 -29,-1.0 2,-0.1 -2,-0.3 -28,-0.1 0.392 69.7 119.7 -91.8 -1.5 -13.9 41.9 -76.0 62 70 A L - 0 0 15 -30,-0.5 -2,-0.1 -59,-0.2 -59,-0.1 -0.413 67.4-125.8 -62.7 136.1 -12.1 40.3 -73.0 63 71 A K > - 0 0 103 -2,-0.1 4,-3.1 1,-0.1 5,-0.3 -0.508 31.6-104.6 -76.2 153.9 -12.0 42.5 -70.0 64 72 A P H > S+ 0 0 16 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.926 121.5 48.1 -46.3 -55.4 -8.5 43.0 -68.7 65 73 A D H > S+ 0 0 92 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.859 112.9 48.5 -57.2 -40.9 -9.0 40.6 -65.7 66 74 A E H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.928 109.9 52.8 -58.2 -47.6 -10.5 38.0 -68.0 67 75 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.860 106.8 53.0 -60.6 -35.1 -7.5 38.5 -70.4 68 76 A L H X S+ 0 0 44 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.905 105.9 52.9 -66.0 -42.6 -5.2 37.9 -67.5 69 77 A V H X S+ 0 0 79 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.959 109.5 50.0 -56.2 -49.1 -6.9 34.7 -66.6 70 78 A L H X S+ 0 0 20 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.915 108.3 52.2 -57.6 -43.6 -6.4 33.6 -70.2 71 79 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.921 107.4 52.6 -59.9 -42.9 -2.7 34.5 -70.2 72 80 A K H X S+ 0 0 107 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.910 110.4 47.3 -59.5 -44.7 -2.1 32.4 -67.0 73 81 A D H X S+ 0 0 68 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.916 111.2 50.4 -63.8 -46.4 -3.7 29.3 -68.6 74 82 A I H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.904 109.3 52.6 -59.3 -41.4 -1.7 29.7 -71.8 75 83 A E H < S+ 0 0 14 -4,-2.5 6,-0.4 -5,-0.2 -1,-0.2 0.921 110.6 47.4 -57.9 -44.7 1.4 30.0 -69.8 76 84 A L H < S+ 0 0 135 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.860 114.3 47.5 -66.1 -35.3 0.5 26.8 -68.0 77 85 A K H < 0 0 175 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.947 360.0 360.0 -70.2 -51.4 -0.3 25.0 -71.2 78 86 A I < 0 0 51 -4,-2.7 3,-0.3 -5,-0.2 4,-0.1 -0.103 360.0 360.0 -58.4 360.0 2.8 25.9 -73.3 79 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 80 98 A R 0 0 197 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 133.6 6.7 27.5 -66.9 81 99 A V + 0 0 53 -6,-0.4 -68,-0.5 -3,-0.3 2,-0.3 0.010 360.0 54.0-127.8 22.8 8.9 28.4 -70.0 82 100 A I - 0 0 5 -71,-0.1 2,-0.5 -4,-0.1 -71,-0.2 -0.973 64.8-143.9-163.0 144.0 7.2 31.5 -71.3 83 101 A D E -B 10 0A 48 -73,-2.9 -73,-1.8 -2,-0.3 2,-0.5 -0.953 13.2-172.7-123.8 112.2 6.1 34.8 -69.9 84 102 A L E +B 9 0A 5 -2,-0.5 2,-0.4 -75,-0.2 -75,-0.2 -0.919 11.8 171.9-109.9 123.2 2.9 36.6 -71.1 85 103 A D E -B 8 0A 39 -77,-2.2 -77,-2.7 -2,-0.5 2,-1.1 -0.964 37.3-124.4-130.7 140.4 2.2 40.1 -69.9 86 104 A I E +B 7 0A 10 -2,-0.4 17,-0.4 -79,-0.2 -79,-0.2 -0.758 31.5 178.1 -80.8 103.0 -0.5 42.7 -70.7 87 105 A L E - 0 0 5 -81,-2.0 16,-1.4 -2,-1.1 2,-0.3 0.890 58.5 -20.2 -73.5 -39.1 1.8 45.7 -71.7 88 106 A A E -B 6 0A 0 -82,-1.2 -82,-2.7 14,-0.2 -1,-0.3 -0.989 34.5-153.2-167.6 155.7 -1.0 48.1 -72.7 89 107 A A > - 0 0 3 1,-0.3 3,-2.6 3,-0.3 -84,-0.2 -0.653 64.0 -91.4-136.1 72.9 -4.6 48.6 -73.7 90 108 A E T 3 S- 0 0 98 -86,-0.4 -1,-0.3 1,-0.3 34,-0.1 -0.335 100.8 -14.6 53.2-118.0 -4.4 51.9 -75.6 91 109 A D T 3 S+ 0 0 130 -2,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.313 100.6 134.1 -97.1 10.0 -5.0 54.7 -73.2 92 110 A L < - 0 0 59 -3,-2.6 2,-0.5 1,-0.0 -3,-0.3 -0.269 37.5-164.0 -61.8 139.9 -6.4 52.5 -70.4 93 111 A I + 0 0 74 33,-0.1 2,-0.5 -5,-0.1 -2,-0.0 -0.975 14.7 169.6-123.9 116.2 -5.2 53.0 -66.9 94 112 A L E -F 101 0B 48 7,-2.9 7,-2.3 -2,-0.5 2,-0.5 -0.979 8.7-178.8-130.2 120.9 -5.9 50.2 -64.5 95 113 A E E +F 100 0B 113 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.982 26.3 126.2-119.1 119.5 -4.4 49.9 -61.0 96 114 A T - 0 0 58 3,-0.6 -2,-0.1 -2,-0.5 0, 0.0 -0.933 67.7-105.6-153.0 172.1 -5.3 46.9 -58.8 97 115 A D S S+ 0 0 150 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.880 119.9 53.7 -71.1 -35.9 -3.4 44.3 -56.9 98 116 A K S S- 0 0 160 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.925 127.6 -14.7 -62.3 -48.3 -4.2 41.7 -59.6 99 117 A L - 0 0 23 2,-0.0 -3,-0.6 4,-0.0 2,-0.4 -0.988 50.4-151.6-156.5 149.9 -2.9 43.8 -62.5 100 118 A T E -F 95 0B 21 -2,-0.3 4,-0.3 -5,-0.2 -5,-0.2 -0.991 27.8-128.0-122.0 130.9 -1.8 47.3 -63.5 101 119 A I E S+F 94 0B 2 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.2 -0.990 95.6 40.7-122.4 126.9 -2.1 48.6 -67.0 102 120 A P S S- 0 0 6 0, 0.0 -14,-0.2 0, 0.0 -15,-0.2 0.522 117.0 -99.3 -67.1 157.1 0.1 49.7 -68.5 103 121 A H > - 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