==== 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 14-NOV-03 1RHX . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN TM0979; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR W.PETI,T.HERRMANN,K.WUTHRICH,JOINT CENTER FOR STRUCTURAL GEN . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 54.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 9 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 1 1 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 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 213 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.9 -13.7 2.4 -10.3 2 2 A A - 0 0 79 2,-0.1 2,-0.4 10,-0.0 83,-0.1 -0.544 360.0-133.0 -84.0 170.4 -11.8 -0.3 -8.3 3 3 A L + 0 0 34 81,-0.2 2,-0.2 -2,-0.2 9,-0.1 -0.888 45.8 148.5-128.6 89.5 -8.2 0.4 -7.1 4 4 A V + 0 0 68 -2,-0.4 83,-0.4 81,-0.1 2,-0.2 -0.687 50.4 57.6-129.7 68.8 -6.4 -2.8 -8.2 5 5 A L + 0 0 53 81,-1.4 82,-0.2 -2,-0.2 6,-0.1 -0.604 41.4 176.0 171.2 136.1 -2.7 -1.7 -9.0 6 6 A V + 0 0 2 -2,-0.2 25,-1.3 4,-0.1 28,-0.8 -0.227 52.7 102.5-145.2 47.7 -0.1 -0.0 -6.9 7 7 A K S S+ 0 0 74 26,-0.2 26,-0.1 25,-0.1 3,-0.1 0.047 71.1 60.7-123.6 37.2 3.0 0.1 -9.1 8 8 A Y S S- 0 0 140 1,-0.4 2,-0.9 24,-0.1 -1,-0.1 -0.052 101.8-117.4-144.1 37.0 3.0 3.7 -10.4 9 9 A G S S+ 0 0 2 22,-0.3 2,-1.6 -3,-0.2 -1,-0.4 -0.588 95.9 40.8 56.6-102.3 3.3 5.5 -7.0 10 10 A T S S+ 0 0 89 -2,-0.9 -1,-0.1 1,-0.2 -4,-0.1 -0.460 80.3 95.8 -92.8 75.8 0.2 7.5 -6.7 11 11 A D S S+ 0 0 80 -2,-1.6 -1,-0.2 2,-0.1 -4,-0.1 0.042 76.0 40.6-150.3 38.4 -2.9 5.5 -7.9 12 12 A H S >S- 0 0 2 -6,-0.1 5,-0.7 22,-0.1 3,-0.3 -0.933 87.4 -68.8-167.9 176.0 -4.6 3.8 -4.9 13 13 A P T 5S+ 0 0 11 0, 0.0 16,-0.1 0, 0.0 -2,-0.1 -0.427 75.8 93.8 -80.0 161.8 -5.6 4.6 -1.2 14 14 A V T 5S+ 0 0 0 29,-0.2 29,-0.2 -2,-0.1 32,-0.2 -0.517 105.0 11.9 163.7 -50.7 -3.4 5.0 1.9 15 15 A E T 5S- 0 0 8 -3,-0.3 26,-0.3 27,-0.1 29,-0.1 -0.207 141.9 -1.0-149.6 42.2 -2.8 8.8 2.2 16 16 A K T >>5S+ 0 0 91 27,-0.1 3,-2.5 24,-0.1 4,-0.9 -0.381 124.3 51.7-177.8 -72.3 -5.3 10.4 -0.3 17 17 A L H 3> - 0 0 155 -2,-0.3 3,-0.7 1,-0.0 -2,-0.0 -0.833 43.3 -99.3-136.5-177.7 -12.6 3.1 6.3 24 24 A A T 3 S+ 0 0 64 -2,-0.3 2,-0.6 1,-0.2 23,-0.2 0.869 124.0 60.1 -66.7 -35.6 -10.5 2.1 9.3 25 25 A E T 3 S+ 0 0 176 21,-0.1 -1,-0.2 -3,-0.0 2,-0.2 -0.045 88.2 110.9 -84.5 38.4 -11.7 -1.5 8.6 26 26 A D < - 0 0 43 -3,-0.7 21,-2.1 -2,-0.6 2,-0.4 -0.602 58.6-137.8-113.7 168.4 -10.1 -1.4 5.2 27 27 A K B +a 47 0A 56 19,-0.2 2,-0.3 -2,-0.2 21,-0.2 -0.984 28.2 156.0-135.4 133.7 -7.1 -3.3 3.7 28 28 A I - 0 0 1 19,-2.0 2,-0.3 -2,-0.4 58,-0.1 -0.966 15.6-169.9-153.5 161.8 -4.4 -2.0 1.4 29 29 A V - 0 0 3 56,-0.3 2,-0.3 -2,-0.3 21,-0.3 -0.939 15.3-136.4-149.4 159.1 -0.7 -2.7 0.4 30 30 A L B +b 50 0B 0 19,-2.1 21,-2.6 -2,-0.3 2,-0.2 -0.983 23.8 172.4-122.3 142.0 2.0 -0.8 -1.7 31 31 A I >> - 0 0 16 -25,-1.3 4,-1.4 -2,-0.3 3,-0.8 -0.683 50.5 -8.5-132.8-175.6 4.4 -2.2 -4.3 32 32 A Q T 34 S- 0 0 82 1,-0.3 3,-0.3 2,-0.2 -25,-0.1 0.129 136.4 -12.4 27.6-107.8 7.1 -1.1 -6.9 33 33 A N T >4 S+ 0 0 50 1,-0.2 3,-2.8 2,-0.1 -1,-0.3 0.692 123.5 84.0 -87.0 -23.9 6.8 2.7 -7.1 34 34 A G G X4 + 0 0 0 -28,-0.8 3,-2.4 -3,-0.8 -2,-0.2 0.745 69.0 82.6 -46.1 -28.0 3.5 2.6 -5.1 35 35 A V G >< + 0 0 0 -4,-1.4 3,-2.4 -3,-0.3 -1,-0.3 0.775 68.6 84.4 -50.8 -23.4 5.9 2.5 -2.0 36 36 A F G < S+ 0 0 83 -3,-2.8 3,-0.4 1,-0.3 -1,-0.3 0.636 73.8 71.8 -54.5 -16.2 6.0 6.3 -2.5 37 37 A W G X S+ 0 0 9 -3,-2.4 2,-0.9 1,-0.2 3,-0.8 0.737 78.1 77.0 -70.5 -20.7 2.7 6.4 -0.5 38 38 A A T < S+ 0 0 0 -3,-2.4 28,-2.3 1,-0.3 -1,-0.2 -0.020 99.1 44.4 -79.8 38.3 4.8 5.6 2.7 39 39 A L T 3 S+ 0 0 70 -2,-0.9 -1,-0.3 -3,-0.4 2,-0.1 -0.184 86.3 121.0 174.2 42.7 6.0 9.2 2.7 40 40 A E < - 0 0 62 -3,-0.8 2,-0.1 2,-0.0 -24,-0.1 -0.398 69.6-104.8-111.9-174.0 2.9 11.4 2.0 41 41 A E S S+ 0 0 173 -26,-0.3 2,-0.2 -2,-0.1 -26,-0.0 -0.407 91.7 54.0-118.2 47.1 1.1 14.2 4.0 42 42 A L S S- 0 0 58 -2,-0.1 2,-0.3 2,-0.0 -27,-0.1 -0.493 73.7-115.7-154.9-153.5 -1.9 12.4 5.4 43 43 A E - 0 0 131 -29,-0.2 -29,-0.2 -2,-0.2 -27,-0.1 -0.954 9.3-139.6-156.2 166.4 -2.8 9.2 7.4 44 44 A T - 0 0 31 -2,-0.3 4,-0.1 -29,-0.1 -20,-0.1 -0.952 11.9-172.3-123.2 149.8 -4.6 5.9 7.0 45 45 A P S S+ 0 0 72 0, 0.0 2,-0.1 0, 0.0 -21,-0.1 0.372 72.1 88.0-104.8 -9.7 -6.8 4.2 9.5 46 46 A A S S- 0 0 5 -32,-0.2 2,-0.5 -21,-0.1 -19,-0.2 -0.485 99.3 -89.8 -79.4 159.5 -6.9 1.1 7.2 47 47 A K B -a 27 0A 80 -21,-2.1 -19,-2.0 -23,-0.2 2,-0.3 -0.615 54.0-177.4 -79.4 116.4 -4.2 -1.6 7.4 48 48 A V + 0 0 13 -2,-0.5 2,-0.3 -21,-0.2 -19,-0.2 -0.864 10.3 169.1-112.4 154.7 -1.4 -0.5 5.1 49 49 A Y - 0 0 50 -2,-0.3 -19,-2.1 18,-0.1 2,-0.3 -0.876 22.4-143.3-163.4 123.3 1.8 -2.3 4.4 50 50 A A E -bc 30 69B 0 18,-2.7 20,-1.6 -2,-0.3 2,-0.8 -0.666 33.0-106.7 -83.2 156.7 4.5 -1.8 1.7 51 51 A I E > - c 0 70B 0 -21,-2.6 4,-2.2 -2,-0.3 20,-0.2 -0.767 26.4-152.4 -79.5 111.2 6.2 -4.7 0.1 52 52 A K H > S+ 0 0 65 18,-2.9 4,-3.0 -2,-0.8 5,-0.3 0.922 91.8 55.9 -50.1 -52.4 9.6 -4.7 1.6 53 53 A D H > S+ 0 0 102 17,-0.4 4,-2.4 1,-0.3 -1,-0.2 0.888 111.0 43.0 -54.7 -46.6 11.2 -6.4 -1.4 54 54 A D H 4 S+ 0 0 10 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.846 113.8 51.7 -67.7 -33.8 9.9 -3.7 -3.8 55 55 A F H ><>S+ 0 0 0 -4,-2.2 5,-1.9 2,-0.2 3,-1.0 0.920 111.9 46.4 -66.9 -44.0 10.8 -0.9 -1.4 56 56 A L H ><5S+ 0 0 71 -4,-3.0 3,-1.4 1,-0.3 -2,-0.2 0.938 111.1 52.4 -58.6 -47.6 14.4 -2.3 -1.1 57 57 A A T 3<5S+ 0 0 65 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.533 102.4 62.3 -69.4 -4.7 14.3 -2.5 -4.9 58 58 A R T < 5S- 0 0 90 -3,-1.0 -1,-0.3 -4,-0.1 -2,-0.2 -0.055 121.4-104.6-110.6 36.5 13.3 1.2 -4.9 59 59 A G T < 5S+ 0 0 78 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.664 80.7 127.3 57.0 20.1 16.6 2.3 -3.2 60 60 A Y < - 0 0 60 -5,-1.9 2,-0.3 -4,-0.0 -1,-0.2 -0.406 53.6-128.6 -95.1 176.3 14.9 2.9 0.2 61 61 A S >> - 0 0 65 -2,-0.1 3,-1.5 -3,-0.1 4,-0.6 -0.847 28.4-108.7-122.1 162.9 15.8 1.5 3.7 62 62 A E T 34 S+ 0 0 109 1,-0.3 3,-0.2 -2,-0.3 7,-0.1 0.723 117.5 52.6 -73.3 -21.2 13.4 -0.2 6.1 63 63 A E T 34 S+ 0 0 190 1,-0.2 -1,-0.3 3,-0.1 -3,-0.0 0.581 95.4 72.5 -82.9 -13.2 13.3 2.8 8.5 64 64 A D T <4 S+ 0 0 86 -3,-1.5 2,-0.5 2,-0.1 -2,-0.2 0.811 79.0 84.6 -73.7 -30.4 12.4 5.2 5.7 65 65 A S < - 0 0 12 -4,-0.6 2,-0.2 -3,-0.2 -26,-0.2 -0.626 65.2-155.1 -79.4 122.5 8.8 3.9 5.3 66 66 A K S S+ 0 0 100 -28,-2.3 -1,-0.1 -2,-0.5 -27,-0.1 0.050 82.2 62.5 -81.9 36.0 6.2 5.4 7.7 67 67 A V S S- 0 0 14 -2,-0.2 -18,-0.1 -29,-0.2 -2,-0.1 -0.964 101.6 -82.6-152.7 156.4 4.3 2.1 7.2 68 68 A P - 0 0 60 0, 0.0 -18,-2.7 0, 0.0 2,-0.7 -0.274 35.2-136.3 -72.0 153.9 5.1 -1.5 7.9 69 69 A L E +c 50 0B 36 -20,-0.2 -18,-0.2 -18,-0.1 2,-0.1 -0.794 31.8 175.7-122.8 85.3 7.2 -3.5 5.4 70 70 A I E -c 51 0B 8 -20,-1.6 -18,-2.9 -2,-0.7 -17,-0.4 -0.225 30.8-102.9 -87.5 170.9 5.8 -6.9 4.9 71 71 A T > - 0 0 62 -20,-0.2 4,-1.5 -19,-0.1 3,-0.3 -0.535 36.5-105.0 -82.5 164.2 6.7 -9.7 2.5 72 72 A Y H > S+ 0 0 109 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.802 123.1 57.6 -53.7 -28.1 4.8 -10.5 -0.7 73 73 A S H > S+ 0 0 89 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.866 99.0 53.5 -78.3 -38.9 3.4 -13.5 1.3 74 74 A E H > S+ 0 0 106 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.845 105.9 57.6 -60.3 -34.0 1.9 -11.4 4.2 75 75 A F H >X S+ 0 0 17 -4,-1.5 3,-1.6 1,-0.2 4,-0.8 0.959 99.2 57.4 -59.6 -49.8 0.1 -9.5 1.5 76 76 A I H >X S+ 0 0 84 -4,-1.3 3,-0.9 1,-0.3 4,-0.7 0.815 100.8 57.3 -51.9 -40.5 -1.6 -12.7 0.1 77 77 A D H 3< S+ 0 0 115 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.808 99.1 59.5 -58.7 -34.2 -3.1 -13.3 3.6 78 78 A L H << S+ 0 0 14 -3,-1.6 -1,-0.3 -4,-0.9 -2,-0.2 0.802 111.5 42.7 -66.7 -31.7 -4.8 -9.9 3.4 79 79 A L H << + 0 0 24 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.1 0.861 61.1 136.0 -72.3-100.8 -6.6 -11.1 0.2 80 80 A E S < S- 0 0 143 -4,-0.7 -3,-0.1 1,-0.2 -4,-0.0 0.895 104.9 -21.0 45.8 52.9 -7.9 -14.7 0.6 81 81 A G S S+ 0 0 72 1,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.826 111.9 108.0 87.2 38.5 -11.2 -13.8 -1.1 82 82 A E + 0 0 75 0, 0.0 2,-2.7 0, 0.0 3,-0.3 -0.458 44.1 169.7-129.7 49.9 -11.2 -10.0 -0.5 83 83 A E + 0 0 167 1,-0.2 -4,-0.1 2,-0.1 -79,-0.0 -0.327 47.1 82.7 -80.0 63.3 -10.6 -9.4 -4.1 84 84 A K S S+ 0 0 105 -2,-2.7 -1,-0.2 -81,-0.0 -81,-0.2 0.019 83.3 47.7-155.6 38.3 -11.1 -5.6 -4.2 85 85 A F S S+ 0 0 12 -3,-0.3 -56,-0.3 -83,-0.1 -81,-0.1 0.118 77.9 135.2-154.1 37.5 -7.9 -3.9 -3.1 86 86 A I 0 0 33 -82,-0.1 -81,-1.4 -58,-0.1 -57,-0.1 0.119 360.0 360.0 -81.8-173.8 -5.2 -5.6 -5.1 87 87 A G 0 0 22 -83,-0.4 -82,-0.1 -82,-0.2 -75,-0.0 -0.727 360.0 360.0 148.6 360.0 -2.2 -4.3 -7.1