==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUN-10 3NQN . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 301 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 33.9 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 23.9 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+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 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 0 2 2 0 2 0 0 2 4 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 0 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 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 3 A L 0 0 81 0, 0.0 109,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 18.3 -4.1 25.2 46.5 2 4 A S E -A 109 0A 69 107,-0.2 2,-0.3 2,-0.0 107,-0.2 -0.971 360.0-176.4-136.7 152.5 -3.1 23.5 43.3 3 5 A A E -A 108 0A 6 105,-2.0 105,-2.9 -2,-0.3 2,-0.3 -0.978 5.7-167.0-147.0 145.8 0.1 23.2 41.3 4 6 A E E -A 107 0A 105 -2,-0.3 2,-0.3 103,-0.2 103,-0.2 -0.962 5.4-179.1-133.3 148.8 0.8 21.5 38.0 5 7 A Q E +A 106 0A 44 101,-2.4 101,-3.3 -2,-0.3 2,-0.3 -0.981 1.8 176.4-150.4 137.5 4.0 20.5 36.1 6 8 A S E +A 105 0A 65 -2,-0.3 2,-0.3 99,-0.3 99,-0.2 -0.997 14.5 142.5-141.6 144.2 4.6 18.9 32.7 7 9 A F E -A 104 0A 29 97,-2.4 97,-3.1 -2,-0.3 2,-0.3 -0.986 35.2-122.1-169.8 165.0 7.8 18.2 30.9 8 10 A T E +A 103 0A 104 -2,-0.3 2,-0.3 95,-0.2 95,-0.2 -0.892 22.9 175.4-121.7 149.9 9.7 15.8 28.6 9 11 A L E -A 102 0A 38 93,-2.2 93,-3.1 -2,-0.3 2,-0.5 -0.975 25.5-127.9-150.2 145.2 13.0 13.9 29.2 10 12 A R E -A 101 0A 147 -2,-0.3 91,-0.2 91,-0.2 90,-0.1 -0.800 15.7-138.3 -98.2 130.5 14.8 11.3 27.1 11 13 A H > - 0 0 8 89,-2.9 3,-1.5 -2,-0.5 7,-0.1 -0.792 13.5-142.6 -83.7 122.9 16.0 8.1 28.7 12 14 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 89,-0.1 0.664 95.1 57.0 -59.3 -19.4 19.5 7.4 27.4 13 15 A H T 3 S- 0 0 99 1,-0.3 4,-0.4 87,-0.1 3,-0.2 0.360 107.9-116.8 -98.8 4.7 18.9 3.7 27.2 14 16 A G <> - 0 0 19 -3,-1.5 4,-1.9 85,-0.3 -1,-0.3 -0.344 47.0 -38.8 96.6-171.0 15.9 3.7 24.9 15 17 A Q H > S+ 0 0 90 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.894 126.4 49.4 -65.3 -53.7 12.2 2.6 25.1 16 18 A A H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 115.9 46.0 -54.0 -44.8 12.2 -0.6 27.1 17 19 A A H > S+ 0 0 31 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.878 110.8 52.2 -66.1 -40.1 14.3 1.0 29.8 18 20 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.919 109.7 49.8 -63.8 -42.4 12.2 4.2 29.8 19 21 A L H X S+ 0 0 32 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.919 112.7 47.1 -59.0 -46.2 9.0 2.0 30.3 20 22 A A H X S+ 0 0 59 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.882 111.3 52.2 -63.5 -40.9 10.7 0.2 33.2 21 23 A F H >< S+ 0 0 14 -4,-2.4 7,-0.9 1,-0.2 3,-0.8 0.934 111.4 43.9 -62.1 -49.0 11.9 3.5 34.8 22 24 A V H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.730 111.1 56.4 -72.1 -20.3 8.5 5.2 34.8 23 25 A R H 3< S+ 0 0 57 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.584 99.2 63.6 -88.6 -12.2 6.8 2.0 36.1 24 26 A E XX - 0 0 117 -3,-0.8 4,-2.4 -4,-0.7 3,-1.7 -0.929 65.9-161.4-116.4 107.6 9.0 1.7 39.2 25 27 A P H 3> S+ 0 0 21 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.847 91.1 61.6 -56.0 -35.9 8.6 4.6 41.6 26 28 A A H 34 S+ 0 0 73 2,-0.2 -5,-0.1 1,-0.2 4,-0.0 0.741 113.4 38.0 -61.5 -25.7 11.9 3.7 43.4 27 29 A A H X4 S+ 0 0 30 -3,-1.7 3,-1.1 -6,-0.2 4,-0.3 0.906 120.4 42.2 -85.0 -59.0 13.6 4.4 40.0 28 30 A A H 3< S+ 0 0 9 -4,-2.4 3,-0.3 -7,-0.9 120,-0.2 0.850 124.7 35.8 -59.4 -40.1 11.6 7.4 38.7 29 31 A L T >< S+ 0 0 18 -4,-3.0 3,-1.3 -5,-0.3 -1,-0.2 0.310 81.7 111.4-100.6 10.3 11.5 9.2 42.1 30 32 A A T < S+ 0 0 75 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.867 90.8 28.7 -50.5 -43.5 15.0 8.2 43.4 31 33 A G T 3 S+ 0 0 28 113,-0.4 -1,-0.3 -4,-0.3 2,-0.2 0.254 89.1 127.8-105.4 11.6 16.4 11.8 43.1 32 34 A V < - 0 0 18 -3,-1.3 3,-0.3 113,-0.1 2,-0.2 -0.512 44.7-151.4 -74.6 133.8 13.2 13.8 43.7 33 35 A R + 0 0 113 -2,-0.2 107,-0.1 107,-0.2 111,-0.1 -0.611 66.3 36.5-102.5 163.9 13.3 16.4 46.4 34 36 A F S S+ 0 0 75 -2,-0.2 2,-0.5 1,-0.1 16,-0.3 0.517 84.9 105.0 72.7 12.2 10.7 17.9 48.7 35 37 A L > - 0 0 20 -3,-0.3 3,-0.9 14,-0.1 14,-0.2 -0.820 60.3-162.8-116.2 88.6 8.8 14.6 49.1 36 38 A R E 3 +B 48 0A 99 12,-1.7 12,-1.9 -2,-0.5 -3,-0.0 -0.393 65.4 13.6 -76.7 147.4 9.9 13.6 52.6 37 39 A G E 3 S- 0 0 55 10,-0.2 -1,-0.2 1,-0.2 9,-0.1 0.732 82.4-177.0 65.4 26.4 9.5 10.1 53.9 38 40 A L E < + 0 0 54 -3,-0.9 2,-0.3 10,-0.1 9,-0.2 -0.269 12.9 151.6 -59.8 130.8 8.9 8.7 50.4 39 41 A D E -B 46 0A 96 7,-2.3 7,-2.7 0, 0.0 2,-0.3 -0.977 21.0-171.4-155.3 166.4 8.2 5.0 50.4 40 42 A S E -B 45 0A 37 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.983 26.2-155.9-160.3 150.7 6.3 2.3 48.5 41 43 A D - 0 0 100 3,-1.3 4,-0.1 -2,-0.3 -1,-0.0 0.161 65.7 -96.8-110.4 12.7 5.2 -1.4 48.6 42 44 A G S S+ 0 0 48 2,-0.6 3,-0.1 1,-0.1 -2,-0.0 0.046 121.2 62.3 93.3 -22.9 4.9 -1.6 44.8 43 45 A E S S+ 0 0 137 1,-0.3 24,-2.7 23,-0.1 2,-0.3 0.800 112.1 14.9 -99.9 -44.3 1.2 -1.0 45.0 44 46 A Q E - C 0 66A 54 22,-0.2 -3,-1.3 32,-0.1 -2,-0.6 -0.914 62.5-145.4-131.0 159.7 1.0 2.5 46.5 45 47 A V E +BC 40 65A 2 20,-2.8 20,-3.2 -2,-0.3 2,-0.3 -0.964 24.4 173.4-122.2 141.9 3.5 5.3 47.0 46 48 A W E +BC 39 64A 59 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.3 -0.967 13.6 120.8-147.6 164.5 3.3 7.6 50.1 47 49 A G E - C 0 63A 9 16,-1.9 16,-2.0 -2,-0.3 2,-0.3 -0.939 44.2 -92.5 173.1-154.4 5.2 10.5 51.8 48 50 A E E -BC 36 62A 40 -12,-1.9 -12,-1.7 -2,-0.3 2,-0.4 -0.994 11.7-140.9-154.0 149.2 4.7 14.0 52.9 49 51 A L E - C 0 61A 0 12,-2.4 12,-3.1 -2,-0.3 2,-0.6 -0.880 27.2-127.0-105.6 150.8 5.1 17.6 51.8 50 52 A L E - C 0 60A 44 -2,-0.4 2,-0.6 -16,-0.3 10,-0.2 -0.870 17.7-168.3-106.2 120.6 6.3 20.2 54.3 51 53 A V E - C 0 59A 2 8,-3.2 8,-2.9 -2,-0.6 2,-0.6 -0.954 15.2-150.2-103.8 118.6 4.3 23.5 54.8 52 54 A T E + C 0 58A 81 -2,-0.6 6,-0.2 77,-0.3 81,-0.1 -0.803 24.5 163.1 -95.7 120.0 6.3 26.0 56.8 53 55 A V E > - C 0 57A 4 4,-2.0 4,-2.0 -2,-0.6 73,-0.0 -0.905 45.1 -80.4-127.6 162.0 4.4 28.4 59.0 54 56 A P T 4 S- 0 0 46 0, 0.0 2,-2.3 0, 0.0 216,-0.1 -0.294 105.8 -1.5 -62.8 144.6 5.5 30.6 61.8 55 57 A L T 4 S+ 0 0 20 214,-0.4 214,-3.2 1,-0.2 221,-0.0 -0.206 129.6 59.0 75.0 -47.9 5.8 29.1 65.3 56 58 A L T 4 S- 0 0 4 -2,-2.3 186,-2.2 1,-0.2 -1,-0.2 0.799 88.6-169.8 -75.7 -29.4 4.7 25.6 64.2 57 59 A G E < +CD 53 241A 5 -4,-2.0 -4,-2.0 184,-0.3 2,-0.6 -0.522 54.7 15.7 77.0-138.2 7.6 25.5 61.8 58 60 A E E -C 52 0A 64 182,-2.6 2,-0.5 -6,-0.2 -6,-0.2 -0.573 69.7-169.5 -75.8 114.6 7.5 22.6 59.3 59 61 A V E -C 51 0A 12 -8,-2.9 -8,-3.2 -2,-0.6 2,-0.4 -0.935 15.5-138.3-106.2 123.4 4.1 21.0 59.2 60 62 A D E -C 50 0A 19 -2,-0.5 -10,-0.2 -10,-0.2 26,-0.0 -0.696 13.7-166.0 -87.9 130.1 3.9 17.7 57.3 61 63 A L E -C 49 0A 2 -12,-3.1 -12,-2.4 -2,-0.4 26,-0.2 -0.970 19.3-140.2-112.9 116.6 1.0 17.0 55.0 62 64 A P E -C 48 0A 22 0, 0.0 26,-2.8 0, 0.0 2,-0.3 -0.269 18.5-173.9 -77.1 160.4 0.8 13.4 54.0 63 65 A F E -C 47 0A 5 -16,-2.0 -16,-1.9 24,-0.2 2,-0.3 -0.961 5.9-173.1-142.1 157.1 -0.1 11.9 50.6 64 66 A R E -C 46 0A 86 24,-0.4 15,-3.0 15,-0.4 2,-0.4 -0.940 9.3-175.7-150.6 129.4 -0.7 8.4 49.4 65 67 A S E -CE 45 78A 0 -20,-3.2 -20,-2.8 -2,-0.3 2,-0.3 -0.970 24.7-121.4-132.4 146.6 -1.2 7.4 45.7 66 68 A E E -CE 44 77A 89 11,-3.3 11,-2.5 -2,-0.4 2,-0.5 -0.634 25.7-131.5 -83.3 136.0 -2.0 4.2 43.9 67 69 A I E - E 0 76A 29 -24,-2.7 2,-0.5 -2,-0.3 9,-0.2 -0.816 24.8-169.4 -90.7 123.7 0.5 3.1 41.2 68 70 A V E - E 0 75A 24 7,-3.0 7,-2.8 -2,-0.5 2,-0.4 -0.970 12.5-145.5-121.3 118.2 -1.3 2.2 38.0 69 71 A R E - E 0 74A 177 -2,-0.5 5,-0.3 5,-0.2 -46,-0.0 -0.689 23.2-175.8 -84.0 127.7 0.6 0.5 35.2 70 72 A T E > - E 0 73A 26 3,-1.7 3,-0.8 -2,-0.4 -47,-0.0 -0.716 40.4 -99.9-120.4 169.8 -0.5 1.5 31.7 71 73 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.0 0, 0.0 24,-0.0 0.860 122.7 31.1 -61.9 -33.0 0.4 0.4 28.2 72 74 A Q T 3 S- 0 0 116 22,-0.1 24,-2.6 23,-0.0 2,-0.2 0.356 136.3 -54.4-102.9 -0.2 2.8 3.4 27.6 73 75 A G E < S-EF 70 95A 0 -3,-0.8 -3,-1.7 22,-0.2 2,-0.3 -0.742 72.2 -66.7 169.0-115.9 4.0 3.8 31.2 74 76 A A E -EF 69 94A 8 20,-1.5 20,-2.1 -5,-0.3 2,-0.3 -0.978 27.5-145.7-168.1 161.1 2.3 4.4 34.5 75 77 A E E -EF 68 93A 48 -7,-2.8 -7,-3.0 -2,-0.3 2,-0.5 -0.924 12.5-137.0-130.8 159.4 0.2 6.8 36.6 76 78 A L E -EF 67 92A 22 16,-2.6 16,-2.0 -2,-0.3 -9,-0.2 -0.987 20.9-168.1-109.7 127.7 -0.2 7.8 40.2 77 79 A R E -E 66 0A 111 -11,-2.5 -11,-3.3 -2,-0.5 14,-0.1 -0.985 23.1-120.9-118.3 122.2 -3.8 8.2 41.3 78 80 A P E -E 65 0A 48 0, 0.0 2,-0.3 0, 0.0 -13,-0.3 -0.268 15.4-140.8 -69.7 144.3 -4.3 9.9 44.7 79 81 A L - 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