==== 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 FMN-BINDING PROTEIN 27-JAN-06 2FUR . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 383 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 32.4 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 1.0 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 . 28 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 2 1 0 1 1 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 5 2 1 2 0 4 0 0 2 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 3 0 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 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 16 A R 0 0 168 0, 0.0 147,-1.4 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-137.9 6.8 49.5 -2.5 2 17 A A E -A 147 0A 46 145,-0.2 2,-0.3 2,-0.0 145,-0.3 -0.463 360.0-167.1 -97.7 157.4 6.0 45.8 -3.6 3 18 A S E +A 146 0A 23 143,-2.2 143,-1.9 -2,-0.1 0, 0.0 -0.977 20.0 175.6-137.8 153.7 7.4 43.3 -6.0 4 19 A Y + 0 0 165 -2,-0.3 2,-0.3 141,-0.2 140,-0.1 0.076 41.7 134.5-138.3 17.4 6.2 40.0 -7.5 5 20 A S > - 0 0 45 1,-0.1 4,-2.2 141,-0.0 5,-0.1 -0.571 50.6-148.5 -72.4 126.5 9.2 39.4 -9.9 6 21 A D H > S+ 0 0 82 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.881 102.2 55.6 -56.1 -43.4 10.8 35.9 -10.0 7 22 A E H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 107.9 49.3 -61.7 -40.3 14.1 37.5 -10.7 8 23 A D H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.923 111.4 48.1 -60.1 -49.3 13.7 39.6 -7.6 9 24 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.924 111.4 49.6 -59.5 -46.3 12.8 36.6 -5.4 10 25 A V H X S+ 0 0 36 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.922 109.5 52.9 -60.8 -41.1 15.8 34.4 -6.7 11 26 A A H X S+ 0 0 41 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.904 112.9 43.7 -60.5 -43.0 18.2 37.3 -6.0 12 27 A X H X S+ 0 0 1 -4,-1.9 4,-0.6 2,-0.2 3,-0.4 0.901 113.5 50.3 -70.7 -42.5 16.9 37.5 -2.5 13 28 A L H >< S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.961 108.0 54.6 -59.5 -47.8 17.0 33.8 -2.0 14 29 A D H 3< S+ 0 0 88 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.755 110.8 44.7 -54.8 -31.4 20.6 33.6 -3.3 15 30 A R H 3< S+ 0 0 72 -4,-0.9 177,-0.5 -3,-0.4 2,-0.4 0.403 103.1 72.8-103.1 1.8 21.9 36.2 -0.8 16 31 A N << + 0 0 7 -3,-1.3 3,-0.1 -4,-0.6 99,-0.0 -0.946 45.5 179.2-115.6 139.9 20.1 34.8 2.4 17 32 A F S S+ 0 0 12 -2,-0.4 19,-2.4 18,-0.1 2,-0.3 0.308 71.8 50.5-116.4 3.5 21.1 31.6 4.3 18 33 A T E +B 35 0A 20 17,-0.3 2,-0.3 18,-0.1 17,-0.2 -0.920 59.3 168.2-134.3 162.1 18.5 31.9 7.0 19 34 A C E -B 34 0A 5 15,-2.0 15,-2.3 -2,-0.3 2,-0.4 -0.931 34.2-109.0-155.3 173.3 14.7 32.4 7.0 20 35 A T E -BC 33 66A 15 46,-2.4 46,-2.6 -2,-0.3 2,-0.5 -0.958 26.7-156.5-111.8 135.8 11.7 32.3 9.3 21 36 A V E -BC 32 65A 0 11,-2.8 11,-2.1 -2,-0.4 2,-0.4 -0.964 7.5-164.6-115.7 123.2 9.2 29.4 8.8 22 37 A S E +BC 31 64A 1 42,-3.2 42,-2.3 -2,-0.5 2,-0.3 -0.900 18.2 155.8-112.6 138.9 5.7 30.0 10.0 23 38 A F E -B 30 0A 11 7,-2.3 7,-3.2 -2,-0.4 2,-0.4 -0.941 39.5-107.3-154.1 166.4 3.2 27.1 10.4 24 39 A I E +B 29 0A 33 38,-0.3 2,-0.4 -2,-0.3 37,-0.1 -0.898 29.5 175.3-107.1 132.1 0.1 26.0 12.2 25 40 A D E > S-B 28 0A 71 3,-2.6 3,-0.8 -2,-0.4 -2,-0.0 -0.939 78.1 -16.3-140.4 110.2 0.3 23.3 14.9 26 41 A G T 3 S- 0 0 69 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.949 127.4 -56.3 51.6 51.4 -2.9 22.4 16.8 27 42 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.2 191,-0.1 188,-0.1 0.608 116.6 114.7 60.1 17.1 -4.4 25.7 15.5 28 43 A I E < -B 25 0A 62 -3,-0.8 -3,-2.6 186,-0.0 2,-0.3 -0.958 66.6-126.8-117.9 128.4 -1.6 27.7 17.0 29 44 A P E -B 24 0A 5 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.579 28.5-172.1 -73.9 137.5 0.8 29.6 14.7 30 45 A Y E -B 23 0A 65 -7,-3.2 -7,-2.3 -2,-0.3 2,-0.4 -0.917 10.7-165.6-123.5 157.6 4.5 29.0 15.2 31 46 A A E +B 22 0A 3 -2,-0.3 -9,-0.2 -9,-0.2 182,-0.0 -0.964 13.7 171.2-143.9 123.4 7.5 30.7 13.7 32 47 A I E -B 21 0A 50 -11,-2.1 -11,-2.8 -2,-0.4 2,-0.2 -0.976 32.9-112.6-131.7 147.0 11.0 29.2 13.9 33 48 A P E +B 20 0A 37 0, 0.0 2,-0.3 0, 0.0 -13,-0.2 -0.550 38.2 178.4 -77.4 144.8 14.3 30.1 12.3 34 49 A X E -B 19 0A 23 -15,-2.3 -15,-2.0 -2,-0.2 2,-0.1 -0.992 34.3-101.1-143.4 154.9 15.8 27.8 9.7 35 50 A X E -B 18 0A 36 -2,-0.3 2,-0.7 11,-0.3 11,-0.3 -0.485 38.5-136.3 -72.4 143.6 18.8 27.5 7.4 36 51 A L + 0 0 0 -19,-2.4 2,-0.3 -2,-0.1 9,-0.1 -0.851 25.8 174.8-115.2 95.7 17.9 28.4 3.8 37 52 A A E +G 44 0B 0 7,-1.8 7,-2.7 -2,-0.7 2,-0.3 -0.749 18.9 166.4 -89.6 149.2 19.2 26.3 1.0 38 53 A S E -G 43 0B 9 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.992 32.1-166.1-160.3 156.0 17.9 27.2 -2.4 39 54 A E E > S-G 42 0B 83 3,-2.7 3,-1.9 -2,-0.3 2,-0.2 -0.880 74.6 -42.2-147.2 114.4 18.3 26.8 -6.0 40 55 A G T 3 S- 0 0 33 -2,-0.3 -26,-0.1 1,-0.3 -1,-0.1 -0.481 126.3 -23.3 63.1-133.5 16.4 29.3 -8.3 41 56 A K T 3 S+ 0 0 65 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.581 117.1 103.3 -79.9 -9.8 13.0 29.7 -6.8 42 57 A T E < -G 39 0B 25 -3,-1.9 -3,-2.7 98,-0.1 2,-0.3 -0.633 55.9-158.9 -83.4 129.8 13.1 26.3 -5.0 43 58 A I E -GH 38 139B 0 96,-2.4 96,-2.9 -2,-0.4 2,-0.4 -0.805 1.2-156.9-103.7 138.9 13.8 26.3 -1.2 44 59 A Y E -GH 37 138B 13 -7,-2.7 -7,-1.8 -2,-0.3 2,-0.4 -0.997 5.2-165.0-121.6 124.5 15.2 23.3 0.6 45 60 A L E + H 0 137B 0 92,-2.2 92,-2.4 -2,-0.4 2,-0.3 -0.869 12.5 177.8-102.9 144.3 14.7 22.9 4.3 46 61 A H E + H 0 136B 41 -2,-0.4 2,-0.3 -11,-0.3 -11,-0.3 -0.961 13.2 115.7-145.5 162.7 16.7 20.3 6.4 47 62 A G E - H 0 135B 20 88,-1.4 88,-2.2 -2,-0.3 2,-0.3 -0.988 57.3 -32.4 167.9-166.0 17.1 19.1 9.9 48 63 A S E > - H 0 134B 60 -2,-0.3 3,-1.4 86,-0.2 6,-0.3 -0.618 36.8-141.1 -86.5 140.0 16.9 16.4 12.4 49 64 A X T 3 S+ 0 0 67 84,-1.0 6,-0.1 -2,-0.3 -1,-0.1 0.694 101.6 67.7 -71.3 -16.4 14.1 13.8 12.2 50 65 A K T 3 S+ 0 0 124 83,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.620 83.9 100.4 -76.7 -9.6 13.8 14.0 16.0 51 66 A S S X> S- 0 0 40 -3,-1.4 3,-1.0 1,-0.1 4,-0.7 -0.442 78.9-128.6 -79.0 150.0 12.5 17.6 15.6 52 67 A R H 3> S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 3,-0.1 0.795 106.9 67.7 -64.0 -29.7 8.8 18.6 15.8 53 68 A I H 3> S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.829 90.4 64.0 -61.0 -31.8 9.2 20.5 12.5 54 69 A Y H <> S+ 0 0 31 -3,-1.0 4,-2.5 -6,-0.3 -1,-0.2 0.963 102.8 46.2 -56.5 -52.7 9.8 17.2 10.7 55 70 A G H X S+ 0 0 41 -4,-0.7 4,-0.9 1,-0.2 -1,-0.2 0.860 112.2 52.1 -58.3 -37.3 6.2 15.9 11.5 56 71 A I H ><>S+ 0 0 13 -4,-1.4 3,-0.7 1,-0.2 5,-0.6 0.926 110.6 46.5 -65.3 -48.9 4.8 19.3 10.5 57 72 A L H ><5S+ 0 0 1 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.854 104.0 62.9 -64.1 -34.8 6.6 19.2 7.1 58 73 A K H 3<5S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.797 93.4 64.4 -58.4 -29.0 5.5 15.6 6.5 59 74 A T T <<5S- 0 0 88 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.790 98.9-137.2 -63.7 -29.6 1.9 16.8 6.5 60 75 A G T < 5 + 0 0 23 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.599 45.0 161.8 77.0 14.9 2.5 18.9 3.4 61 76 A Q < - 0 0 52 -5,-0.6 2,-0.2 1,-0.1 -1,-0.2 -0.187 51.8 -87.2 -61.7 154.3 0.5 21.8 4.9 62 77 A L - 0 0 18 32,-0.2 -38,-0.3 30,-0.1 2,-0.3 -0.499 51.7-169.0 -62.1 128.4 0.9 25.3 3.5 63 78 A I E - D 0 93A 0 30,-2.5 30,-2.1 -2,-0.2 2,-0.6 -0.866 17.0-133.9-118.3 156.2 3.8 27.0 5.2 64 79 A A E -CD 22 92A 0 -42,-2.3 -42,-3.2 -2,-0.3 2,-0.5 -0.959 16.1-165.1-112.5 117.8 4.9 30.7 5.1 65 80 A I E -CD 21 91A 1 26,-3.5 26,-3.3 -2,-0.6 2,-0.4 -0.925 11.0-168.6-106.0 124.6 8.6 31.4 4.6 66 81 A S E -CD 20 90A 9 -46,-2.6 -46,-2.4 -2,-0.5 2,-0.4 -0.889 10.1-169.2-117.1 141.8 9.7 34.9 5.4 67 82 A L E - D 0 89A 6 22,-2.2 22,-2.0 -2,-0.4 2,-0.3 -0.953 4.9-173.5-124.3 147.6 12.9 36.8 4.7 68 83 A L E - D 0 88A 51 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.979 7.6-174.2-147.1 126.6 13.9 40.2 6.1 69 84 A E E - D 0 87A 5 18,-2.8 18,-2.1 -2,-0.3 2,-0.5 -0.997 12.2-157.2-121.0 121.9 17.0 42.4 5.3 70 85 A I E + D 0 86A 17 -2,-0.4 16,-0.2 16,-0.2 3,-0.1 -0.922 20.4 164.8-105.4 123.4 17.4 45.6 7.4 71 86 A N E - 0 0 39 14,-3.0 97,-2.5 -2,-0.5 2,-0.3 0.609 53.1 -14.1-119.9 -19.7 19.5 48.3 5.8 72 87 A G E -ED 167 85A 0 13,-1.4 13,-2.4 95,-0.3 2,-0.5 -0.953 51.6-110.0-176.3 161.8 19.1 51.6 7.6 73 88 A I E -ED 166 84A 3 93,-2.3 93,-2.8 -2,-0.3 2,-0.7 -0.911 33.1-145.9 -98.7 122.5 17.2 53.8 10.1 74 89 A V E -ED 165 83A 0 9,-3.0 9,-1.8 -2,-0.5 2,-0.7 -0.853 13.0-167.8 -96.1 113.3 15.3 56.6 8.4 75 90 A L E -E 164 0A 1 89,-2.5 89,-2.2 -2,-0.7 2,-0.2 -0.891 8.6-176.6-105.8 104.8 15.3 59.8 10.5 76 91 A A - 0 0 0 -2,-0.7 6,-0.1 2,-0.3 239,-0.1 -0.515 41.2-110.5 -92.4 162.5 12.8 62.4 9.2 77 92 A K S S+ 0 0 36 -2,-0.2 238,-2.9 84,-0.1 2,-0.5 0.869 110.6 56.7 -59.8 -37.4 12.3 65.9 10.6 78 93 A E B > S-j 315 0C 25 76,-0.3 3,-2.4 236,-0.2 -2,-0.3 -0.881 82.6-140.1 -98.4 126.1 8.9 64.6 11.8 79 94 A I G > S+ 0 0 5 236,-2.6 3,-1.9 -2,-0.5 237,-0.1 0.836 103.4 63.0 -47.2 -39.6 8.8 61.6 14.0 80 95 A K G 3 S+ 0 0 92 235,-0.4 -1,-0.3 1,-0.3 236,-0.1 0.651 101.4 52.0 -67.3 -13.7 5.8 60.3 12.1 81 96 A N G < S+ 0 0 41 -3,-2.4 73,-0.4 2,-0.1 -1,-0.3 0.338 82.8 115.4-100.7 2.0 7.9 60.1 9.0 82 97 A N < + 0 0 28 -3,-1.9 2,-0.2 -4,-0.2 -7,-0.2 -0.434 39.6 147.0 -67.3 142.7 10.7 58.0 10.7 83 98 A S E -D 74 0A 35 -9,-1.8 -9,-3.0 -2,-0.1 2,-0.4 -0.860 43.4-100.2-154.7-162.8 11.0 54.5 9.2 84 99 A I E -D 73 0A 9 -2,-0.2 2,-0.5 -11,-0.2 -11,-0.2 -0.984 23.5-132.0-128.1 141.2 13.4 51.7 8.3 85 100 A N E +D 72 0A 14 -13,-2.4 -14,-3.0 -2,-0.4 -13,-1.4 -0.858 51.0 138.7 -93.0 130.3 14.9 50.9 5.0 86 101 A Y E -DF 70 149A 53 63,-1.0 63,-2.0 -2,-0.5 2,-0.4 -0.928 46.9-132.5-158.0 168.7 14.5 47.2 4.4 87 102 A V E +DF 69 148A 27 -18,-2.1 -18,-2.8 -2,-0.3 2,-0.3 -0.991 28.5 178.9-134.1 141.0 13.6 44.4 2.0 88 103 A S E -DF 68 147A 10 59,-3.2 59,-1.9 -2,-0.4 2,-0.3 -0.943 11.4-166.9-140.9 152.4 11.2 41.6 2.9 89 104 A A E -DF 67 146A 4 -22,-2.0 -22,-2.2 -2,-0.3 2,-0.4 -0.990 6.7-163.9-138.2 146.0 9.7 38.5 1.3 90 105 A L E -DF 66 145A 17 55,-2.7 55,-2.0 -2,-0.3 2,-0.4 -0.981 15.4-172.5-130.8 117.7 6.8 36.2 2.2 91 106 A I E -DF 65 144A 0 -26,-3.3 -26,-3.5 -2,-0.4 2,-0.5 -0.940 8.0-159.1-117.8 125.4 6.7 32.9 0.3 92 107 A F E +DF 64 143A 14 51,-3.0 50,-3.7 -2,-0.4 51,-1.2 -0.917 27.1 146.4-106.8 130.0 3.9 30.3 0.5 93 108 A G E -DF 63 141A 0 -30,-2.1 -30,-2.5 -2,-0.5 46,-0.0 -0.998 44.9-124.1-159.2 160.3 4.5 26.7 -0.4 94 109 A R - 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