==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC RESISTANCE 17-JUL-04 1W3R . COMPND 2 MOLECULE: NIMA-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR H.-K.S.LEIROS,S.KOZIELSKI-STUHRMANN,U.KAPP,L.TERRADOT, . 204 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 27.9 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 2 0 1 0 0 0 1 0 0 1 1 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 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 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 -20 A S > 0 0 68 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 158.2 34.5 28.7 -15.8 2 -19 A Y H > + 0 0 159 2,-0.2 4,-3.7 1,-0.2 5,-0.4 0.956 360.0 55.0 -52.7 -56.2 38.1 29.3 -16.9 3 -18 A Y H > S+ 0 0 183 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 114.9 40.5 -47.6 -44.3 38.0 26.5 -19.6 4 -17 A H H > S+ 0 0 86 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 114.6 50.6 -71.9 -48.7 34.9 28.1 -21.2 5 -16 A H H X S+ 0 0 105 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.951 113.7 46.3 -50.2 -51.3 36.1 31.7 -20.8 6 -15 A H H X S+ 0 0 76 -4,-3.7 4,-2.0 1,-0.2 -2,-0.2 0.887 110.5 52.6 -64.1 -39.6 39.5 30.8 -22.4 7 -14 A H H < S+ 0 0 127 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.904 110.7 48.3 -62.6 -41.7 37.7 28.9 -25.2 8 -13 A H H < S+ 0 0 158 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.923 109.6 52.2 -62.0 -45.2 35.6 32.0 -25.9 9 -12 A H H < 0 0 141 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.823 360.0 360.0 -66.1 -34.5 38.6 34.3 -25.9 10 -11 A L < 0 0 159 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.928 360.0 360.0 -73.5 360.0 40.5 32.1 -28.5 11 ! 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 12 2 A S >> 0 0 113 0, 0.0 3,-1.5 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 159.0 36.3 21.0 -10.8 13 3 A D G >4 + 0 0 150 1,-0.2 3,-1.8 2,-0.2 0, 0.0 0.784 360.0 72.5 -12.0 -56.9 34.0 23.4 -9.0 14 4 A F G 34 S+ 0 0 148 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.703 101.1 32.0 -53.3 -44.9 33.4 20.5 -6.5 15 5 A Y G <4 S+ 0 0 192 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.399 100.0 102.7 -97.0 2.3 36.6 20.3 -4.5 16 6 A D S << S- 0 0 91 -3,-1.8 -3,-0.0 -4,-0.7 0, 0.0 -0.280 83.8 -62.8 -87.2 168.1 37.5 24.0 -4.7 17 7 A P + 0 0 135 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.169 58.7 161.0 -55.9 135.5 37.1 26.7 -1.9 18 8 A R - 0 0 196 -3,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.969 40.1-107.4-144.4 156.6 33.6 27.6 -0.7 19 9 A E - 0 0 189 -2,-0.3 2,-0.4 2,-0.0 0, 0.0 -0.698 34.3-173.8 -77.0 131.2 32.2 29.3 2.4 20 10 A R - 0 0 150 -2,-0.4 -2,-0.0 4,-0.0 3,-0.0 -0.994 22.9-136.6-127.6 131.0 30.5 27.0 4.9 21 11 A D > - 0 0 95 -2,-0.4 3,-1.6 1,-0.1 -2,-0.0 -0.724 14.9-146.0 -73.2 119.6 28.5 28.2 8.0 22 12 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.680 94.2 68.8 -63.5 -14.3 29.7 25.8 10.7 23 13 A S T 3 S+ 0 0 99 2,-0.1 2,-0.1 3,-0.0 3,-0.1 0.687 79.4 103.7 -77.8 -16.4 26.1 26.1 12.2 24 14 A V S < S- 0 0 89 -3,-1.6 -4,-0.0 1,-0.1 0, 0.0 -0.367 84.0 -94.4 -73.4 142.9 24.5 24.2 9.3 25 15 A S - 0 0 40 1,-0.1 -1,-0.1 -2,-0.1 5,-0.1 -0.219 26.1-161.5 -45.7 131.0 23.4 20.5 9.4 26 16 A R + 0 0 180 -3,-0.1 -1,-0.1 -4,-0.1 -2,-0.0 0.363 50.3 124.7 -97.5 2.1 26.1 18.1 8.2 27 17 A R - 0 0 120 4,-0.3 3,-0.5 1,-0.1 6,-0.0 -0.318 64.2-112.7 -63.8 142.6 23.5 15.4 7.7 28 18 A P S > S+ 0 0 84 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.199 91.6 24.9 -66.8 166.1 23.3 13.8 4.1 29 19 A Q T 3 S- 0 0 133 1,-0.3 -2,-0.1 154,-0.1 155,-0.0 0.800 128.2 -68.7 50.1 39.4 20.4 14.2 1.7 30 20 A N T 3 S+ 0 0 68 -3,-0.5 154,-2.1 1,-0.2 -1,-0.3 0.626 84.6 171.1 61.7 17.6 19.2 17.5 3.3 31 21 A R B < -A 183 0A 121 -3,-2.3 -4,-0.3 152,-0.2 2,-0.3 -0.184 17.1-149.9 -68.8 153.5 18.1 15.6 6.6 32 22 A Q - 0 0 37 150,-2.3 150,-0.3 1,-0.1 -1,-0.1 -0.813 18.2 -95.5-125.0 160.7 17.0 17.4 9.8 33 23 A S > - 0 0 34 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.207 33.5-113.4 -69.7 159.9 17.1 16.9 13.5 34 24 A D H > S+ 0 0 108 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.835 119.1 56.3 -63.0 -35.0 14.2 15.4 15.6 35 25 A E H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 106.2 50.2 -62.8 -40.6 13.8 18.8 17.3 36 26 A W H > S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.856 109.7 50.9 -64.0 -39.6 13.3 20.4 13.8 37 27 A I H X S+ 0 0 3 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.925 109.2 50.9 -64.4 -46.9 10.7 17.8 12.9 38 28 A R H X S+ 0 0 84 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.922 111.5 47.6 -55.0 -47.9 8.8 18.4 16.1 39 29 A E H X S+ 0 0 86 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.900 111.0 50.6 -68.0 -35.6 8.8 22.2 15.5 40 30 A L H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.914 111.7 48.4 -64.9 -43.6 7.6 21.8 11.9 41 31 A L H < S+ 0 0 1 -4,-2.5 30,-0.4 1,-0.2 -2,-0.2 0.850 109.0 54.4 -63.0 -37.2 4.8 19.5 13.0 42 32 A L H < S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.783 111.9 42.3 -68.4 -30.8 3.8 22.0 15.7 43 33 A R H < S+ 0 0 119 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.668 98.0 91.0 -93.8 -11.8 3.4 24.9 13.3 44 34 A G < + 0 0 12 -4,-1.2 27,-0.2 -5,-0.2 3,-0.1 -0.322 43.0 178.5 -78.9 161.0 1.7 23.0 10.5 45 35 A T + 0 0 66 1,-0.3 24,-1.9 25,-0.1 2,-0.4 0.513 64.6 59.4-134.3 -18.6 -2.1 22.8 10.2 46 36 A I E +B 68 0A 85 22,-0.2 57,-0.3 57,-0.1 2,-0.3 -0.928 58.1 165.7-116.9 137.6 -2.6 20.7 7.0 47 37 A A E -B 67 0A 0 20,-2.4 20,-2.9 -2,-0.4 2,-0.4 -0.943 30.5-128.3-136.5 161.0 -1.2 17.2 6.3 48 38 A R E -BC 66 101A 113 53,-2.6 53,-2.9 -2,-0.3 2,-0.5 -0.962 21.3-161.3-107.4 139.9 -1.8 14.5 3.9 49 39 A V E -BC 65 100A 7 16,-2.5 16,-2.7 -2,-0.4 2,-0.5 -0.958 1.8-164.2-119.0 134.3 -2.5 11.0 5.2 50 40 A A E +BC 64 99A 28 49,-2.9 49,-1.9 -2,-0.5 2,-0.3 -0.974 15.3 165.9-117.2 128.2 -2.1 7.9 3.1 51 41 A T E -B 63 0A 17 12,-0.6 12,-2.4 -2,-0.5 2,-0.5 -0.901 34.9-103.2-135.8 167.8 -3.6 4.6 4.1 52 42 A L E -B 62 0A 79 45,-0.5 38,-2.1 -2,-0.3 2,-0.3 -0.775 31.7-178.8-105.6 129.8 -4.2 1.4 2.2 53 43 A W E -BD 61 89A 9 8,-3.1 8,-2.0 -2,-0.5 2,-0.4 -0.876 34.4-105.3-120.1 153.0 -7.4 0.1 0.8 54 44 A Q E -B 60 0A 90 34,-3.3 33,-0.4 -2,-0.3 34,-0.3 -0.640 41.1-156.1 -75.8 129.8 -8.2 -3.1 -1.1 55 45 A G > - 0 0 17 4,-2.4 3,-1.6 -2,-0.4 -1,-0.0 -0.319 33.6 -84.9 -97.3-173.5 -8.7 -2.5 -4.8 56 46 A E T 3 S+ 0 0 209 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.806 127.1 48.4 -65.1 -36.2 -10.6 -4.3 -7.5 57 47 A D T 3 S- 0 0 138 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.310 120.9-105.9 -86.2 8.7 -7.8 -6.8 -8.3 58 48 A G S < S+ 0 0 42 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.369 81.1 129.7 82.7 -4.9 -7.4 -7.5 -4.6 59 49 A A - 0 0 47 -5,-0.1 -4,-2.4 1,-0.1 -1,-0.3 -0.583 62.8-112.4 -84.5 145.9 -4.2 -5.5 -4.4 60 50 A A E +B 54 0A 55 -2,-0.2 -6,-0.2 -6,-0.2 -1,-0.1 -0.468 39.0 177.7 -66.0 143.5 -3.6 -2.9 -1.7 61 51 A F E -B 53 0A 92 -8,-2.0 -8,-3.1 -2,-0.1 2,-0.3 -0.986 24.6-111.0-149.5 150.4 -3.4 0.7 -2.9 62 52 A P E -B 52 0A 80 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.598 14.9-155.7 -86.2 138.7 -3.1 4.1 -1.2 63 53 A F E -B 51 0A 46 -12,-2.4 -12,-0.6 -2,-0.3 2,-0.4 -0.676 12.0-148.3 -88.1 155.5 -5.5 6.9 -0.8 64 54 A I E -B 50 0A 125 -2,-0.3 -14,-0.2 -14,-0.2 -16,-0.0 -0.950 17.5-177.9-126.5 116.8 -4.1 10.4 -0.2 65 55 A T E -B 49 0A 27 -16,-2.7 -16,-2.5 -2,-0.4 2,-0.3 -0.951 16.6-151.1-117.4 114.6 -6.3 12.7 2.0 66 56 A P E +B 48 0A 75 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 -0.665 36.6 151.7 -74.2 132.6 -5.4 16.3 2.7 67 57 A L E -B 47 0A 17 -20,-2.9 -20,-2.4 -2,-0.3 2,-0.1 -0.982 50.0 -88.4-155.7 165.3 -6.8 17.2 6.1 68 58 A A E +B 46 0A 32 -2,-0.3 13,-0.3 -22,-0.2 2,-0.3 -0.461 52.7 175.5 -69.3 147.6 -6.5 19.5 9.2 69 59 A Y - 0 0 0 -24,-1.9 2,-0.3 -2,-0.1 11,-0.2 -0.975 23.9-151.0-147.5 164.7 -4.3 17.9 11.9 70 60 A A E -E 79 0A 1 9,-1.7 9,-2.5 -2,-0.3 2,-0.5 -0.973 14.6-138.6-138.0 135.8 -2.6 18.5 15.3 71 61 A Y E -E 78 0A 15 -30,-0.4 7,-0.2 -2,-0.3 -2,-0.0 -0.752 12.3-165.2 -82.4 127.6 0.5 17.0 16.7 72 62 A R E >> -E 77 0A 26 5,-3.0 5,-1.5 -2,-0.5 4,-1.5 -0.855 4.9-170.7-112.8 91.0 0.2 16.1 20.4 73 63 A P T 45S+ 0 0 41 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.882 79.5 50.0 -58.1 -43.0 3.8 15.6 21.5 74 64 A E T 45S+ 0 0 186 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.923 114.8 43.0 -61.8 -44.9 3.2 14.1 25.0 75 65 A Q T 45S- 0 0 109 -3,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.692 107.7-129.7 -70.3 -21.4 0.8 11.5 23.7 76 66 A G T <5 + 0 0 25 -4,-1.5 101,-2.4 1,-0.3 2,-0.3 0.890 68.6 96.7 71.9 40.3 3.1 10.8 20.8 77 67 A D E < -EF 72 176A 4 -5,-1.5 -5,-3.0 99,-0.2 2,-0.4 -0.885 64.6-129.2-145.5 179.8 0.4 11.1 18.1 78 68 A L E -EF 71 175A 0 97,-1.2 97,-3.2 -2,-0.3 2,-0.4 -0.975 24.8-152.0-131.9 143.5 -1.3 13.3 15.6 79 69 A V E +EF 70 174A 1 -9,-2.5 -9,-1.7 -2,-0.4 2,-0.3 -0.919 24.2 148.4-122.8 147.3 -5.0 13.6 15.4 80 70 A Y E - F 0 173A 6 93,-1.3 93,-3.0 -2,-0.4 2,-0.4 -0.960 32.1-129.0-160.0 163.8 -7.4 14.4 12.6 81 71 A H E + F 0 172A 87 -13,-0.3 2,-0.3 -2,-0.3 91,-0.2 -0.962 29.4 158.6-123.4 147.1 -10.9 13.5 11.5 82 72 A T - 0 0 25 89,-2.1 -2,-0.0 -2,-0.4 -15,-0.0 -0.892 32.1-161.9-162.6 136.1 -12.1 12.2 8.2 83 73 A N + 0 0 98 -2,-0.3 2,-0.4 87,-0.1 89,-0.1 0.308 56.3 123.6 -98.0 8.3 -15.1 10.4 6.8 84 74 A V + 0 0 78 87,-0.1 2,-0.3 0, 0.0 -19,-0.0 -0.553 35.7 161.8 -70.9 124.2 -13.3 9.3 3.7 85 75 A V - 0 0 90 -2,-0.4 2,-0.1 4,-0.0 3,-0.1 -0.888 27.9-153.4-136.6 167.6 -13.3 5.5 3.3 86 76 A G - 0 0 20 -2,-0.3 3,-0.1 1,-0.2 -31,-0.1 -0.236 46.4 -82.5-112.7-151.2 -12.9 2.8 0.7 87 77 A R S S- 0 0 228 -33,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.885 102.1 -7.8 -78.7 -89.8 -14.4 -0.7 0.6 88 78 A L S S- 0 0 111 -34,-0.3 -34,-3.3 -3,-0.1 -1,-0.3 -0.920 73.5-118.5-109.7 144.8 -12.1 -2.8 2.9 89 79 A R B -D 53 0A 62 -2,-0.4 2,-1.7 -36,-0.2 -36,-0.3 -0.492 22.7-125.0 -72.3 143.5 -8.8 -1.7 4.4 90 80 A A S S+ 0 0 32 -38,-2.1 2,-0.3 -2,-0.2 -38,-0.1 -0.654 79.3 99.5 -88.6 81.8 -5.8 -3.7 3.3 91 81 A N - 0 0 53 -2,-1.7 2,-0.5 5,-0.1 -2,-0.1 -0.954 68.3-132.8-169.9 132.5 -5.0 -4.4 6.9 92 82 A A S S+ 0 0 99 -2,-0.3 3,-0.2 2,-0.0 2,-0.2 -0.883 71.5 15.6 -95.0 126.9 -5.4 -7.0 9.7 93 83 A G S S- 0 0 69 -2,-0.5 -2,-0.1 1,-0.1 0, 0.0 -0.580 95.4 -61.3 117.1-174.8 -6.6 -5.5 13.1 94 84 A Q S S+ 0 0 196 -2,-0.2 38,-0.5 37,-0.0 2,-0.3 0.634 114.7 49.8 -88.4 -22.1 -8.3 -2.5 14.7 95 85 A G E S- G 0 131A 18 -3,-0.2 36,-0.2 36,-0.1 34,-0.0 -0.754 74.8-148.1-106.4 165.2 -5.5 -0.0 13.8 96 86 A H E - G 0 130A 11 34,-2.8 34,-3.4 -2,-0.3 -5,-0.1 -0.988 24.2-102.4-133.5 145.0 -4.1 0.5 10.4 97 87 A P E - G 0 129A 77 0, 0.0 -45,-0.5 0, 0.0 2,-0.3 -0.377 46.6-176.1 -56.5 137.5 -0.6 1.6 9.2 98 88 A A E - G 0 128A 4 30,-2.7 30,-2.8 -47,-0.1 2,-0.4 -0.998 21.8-154.5-144.8 141.2 -0.6 5.2 8.1 99 89 A T E -CG 50 127A 44 -49,-1.9 -49,-2.9 -2,-0.3 2,-0.4 -0.954 15.3-167.4-109.1 137.2 1.8 7.6 6.6 100 90 A L E -CG 49 126A 0 26,-2.5 26,-2.6 -2,-0.4 2,-0.4 -0.993 1.9-164.2-129.7 138.4 1.4 11.3 7.2 101 91 A E E +CG 48 125A 54 -53,-2.9 -53,-2.6 -2,-0.4 2,-0.4 -0.962 8.2 179.1-125.0 131.9 3.1 14.1 5.4 102 92 A V E + G 0 124A 3 22,-1.9 22,-3.2 -2,-0.4 2,-0.3 -0.999 15.5 171.8-127.3 129.4 3.4 17.8 6.4 103 93 A S E - 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