==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTITOXIN 28-FEB-11 3QWN . COMPND 2 MOLECULE: HYPOTHETICAL NIGD-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES CACCAE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 2463 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 113561.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1657 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 249 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 825 33.5 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 . 24 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 24 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 . 12 0.5 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 . 278 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 193 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 1.5 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 12 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 RESIDUES PER ALPHA HELIX . 35 12 1 11 12 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 . 11 12 0 0 12 13 23 12 12 12 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 1 11 24 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 28 A Y 0 0 94 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.5 132.1 8.1 65.7 2 29 A P - 0 0 61 0, 0.0 274,-0.0 0, 0.0 152,-0.0 -0.045 360.0-124.1 -58.9 154.0 132.9 8.7 61.9 3 30 A S S S+ 0 0 71 1,-0.1 2,-0.4 618,-0.0 273,-0.0 0.850 99.7 47.9 -61.4 -42.3 132.3 6.2 59.1 4 31 A V S S- 0 0 22 617,-0.1 2,-0.4 208,-0.0 -1,-0.1 -0.902 87.6-126.1-108.8 131.3 136.0 6.4 58.0 5 32 A K - 0 0 49 -2,-0.4 2,-0.4 -4,-0.1 -2,-0.0 -0.662 33.1-163.4 -76.3 122.3 138.9 6.1 60.5 6 33 A L - 0 0 33 -2,-0.4 2,-0.3 46,-0.1 46,-0.2 -0.909 8.2-161.7-115.7 141.5 141.2 9.1 60.1 7 34 A E E -A 51 0A 69 44,-2.4 44,-2.0 -2,-0.4 2,-0.5 -0.890 26.8-112.9-118.9 151.5 144.8 9.7 61.3 8 35 A F E +A 50 0A 10 -2,-0.3 17,-0.7 42,-0.2 2,-0.3 -0.731 56.0 151.9 -78.9 119.0 146.9 12.9 61.7 9 36 A V E -AB 49 24A 0 40,-2.5 40,-2.4 -2,-0.5 2,-0.4 -0.881 44.3-121.7-141.0 172.4 149.7 12.7 59.1 10 37 A T E -AB 48 23A 28 13,-1.7 13,-3.2 -2,-0.3 2,-0.4 -0.955 26.8-164.6-115.8 134.7 151.9 14.8 57.0 11 38 A V E -AB 47 22A 0 36,-2.7 36,-2.4 -2,-0.4 2,-0.4 -0.946 2.6-156.7-119.4 148.4 151.8 14.5 53.2 12 39 A K E -AB 46 21A 91 9,-2.3 8,-2.6 -2,-0.4 9,-1.8 -0.963 4.6-151.7-124.1 142.3 154.4 15.7 50.6 13 40 A A E - B 0 19A 9 32,-2.3 6,-0.2 -2,-0.4 2,-0.1 -0.759 8.5-145.8-104.8 154.2 153.8 16.5 46.9 14 41 A G > - 0 0 12 4,-1.6 30,-1.7 -2,-0.3 3,-1.5 -0.149 52.0 -57.1-102.0-156.0 156.4 16.3 44.2 15 42 A T T 3 S+ 0 0 113 1,-0.3 -2,-0.0 28,-0.2 0, 0.0 0.667 134.9 44.3 -65.7 -22.4 156.8 18.4 41.0 16 43 A D T 3 S- 0 0 113 2,-0.1 -1,-0.3 26,-0.1 3,-0.1 0.382 113.8-109.6-104.3 0.6 153.2 17.7 39.7 17 44 A G S < S+ 0 0 1 -3,-1.5 24,-2.9 1,-0.3 -2,-0.1 0.246 74.3 134.1 91.4 -12.4 151.4 18.2 43.0 18 45 A S - 0 0 34 22,-0.2 -4,-1.6 1,-0.1 2,-0.5 -0.374 67.7 -99.7 -68.9 148.1 150.5 14.5 43.4 19 46 A I E +B 13 0A 5 20,-0.5 -6,-0.3 -6,-0.2 -1,-0.1 -0.645 48.8 162.9 -76.6 121.8 151.1 13.0 46.9 20 47 A Q E + 0 0 86 -8,-2.6 12,-2.9 -2,-0.5 2,-0.3 0.617 60.8 39.1-112.1 -23.2 154.4 11.1 46.9 21 48 A T E -BC 12 31A 33 -9,-1.8 -9,-2.3 10,-0.3 2,-0.4 -0.995 52.8-170.6-138.2 142.5 155.0 10.8 50.6 22 49 A L E -BC 11 30A 0 8,-2.3 8,-2.6 -2,-0.3 -11,-0.2 -0.992 9.3-162.9-129.8 128.3 152.9 10.2 53.8 23 50 A I E -B 10 0A 23 -13,-3.2 -13,-1.7 -2,-0.4 6,-0.2 -0.927 11.0-151.1-119.9 102.5 154.5 10.6 57.2 24 51 A P E -B 9 0A 5 0, 0.0 -15,-0.2 0, 0.0 -2,-0.0 -0.297 18.8-127.8 -64.9 158.7 152.6 8.9 60.0 25 52 A D S S+ 0 0 32 -17,-0.7 78,-0.2 1,-0.2 -16,-0.1 0.906 110.0 43.0 -72.3 -36.7 152.9 10.4 63.5 26 53 A N S S+ 0 0 107 2,-0.1 2,-0.2 76,-0.1 -1,-0.2 0.620 119.6 30.4 -82.4 -21.6 153.8 7.0 65.0 27 54 A G S S- 0 0 25 1,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.563 86.6 -70.5-131.8-169.9 156.2 5.8 62.2 28 55 A E - 0 0 169 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.421 63.8 -77.6 -82.3 160.0 158.8 6.6 59.5 29 56 A A - 0 0 58 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.266 48.0-155.5 -58.5 140.4 158.1 8.3 56.2 30 57 A L E -C 22 0A 26 -8,-2.6 -8,-2.3 -3,-0.1 2,-0.2 -0.975 17.4-121.4-125.6 139.3 156.5 6.1 53.5 31 58 A T E -C 21 0A 96 31,-0.5 33,-2.4 -2,-0.4 2,-0.9 -0.574 33.1-123.0 -70.5 135.5 156.5 6.4 49.7 32 59 A V E -d 64 0A 14 -12,-2.9 33,-0.2 -2,-0.2 3,-0.2 -0.798 29.3-178.0 -85.5 105.8 152.9 6.6 48.5 33 60 A S E S+ 0 0 65 31,-1.4 2,-0.3 -2,-0.9 32,-0.2 0.768 73.5 11.8 -74.9 -27.4 152.5 3.7 46.0 34 61 A K E -d 65 0A 109 30,-1.3 32,-2.4 -14,-0.0 2,-0.7 -0.931 55.6-163.7-155.4 127.7 148.9 4.7 45.2 35 62 A D E > -d 66 0A 34 -2,-0.3 3,-1.0 30,-0.2 32,-0.1 -0.910 10.2-178.0-109.3 96.8 146.8 7.8 46.0 36 63 A R T 3 S+ 0 0 145 30,-2.2 31,-0.2 -2,-0.7 -1,-0.1 0.677 78.2 64.2 -71.0 -14.8 143.2 6.6 45.3 37 64 A T T 3 S- 0 0 24 29,-0.4 324,-0.3 -3,-0.1 -1,-0.2 0.667 94.4-140.2 -79.4 -20.7 141.9 10.1 46.1 38 65 A G < + 0 0 52 -3,-1.0 -2,-0.1 1,-0.2 2,-0.1 0.853 40.6 172.0 60.7 32.8 143.7 11.7 43.1 39 66 A S - 0 0 7 321,-0.1 -20,-0.5 322,-0.0 2,-0.3 -0.330 21.0-161.0 -72.8 158.4 144.5 14.7 45.3 40 67 A A + 0 0 42 319,-1.8 -22,-0.2 -22,-0.2 2,-0.2 -0.963 10.2 177.1-143.1 117.8 146.8 17.5 44.3 41 68 A I - 0 0 7 -24,-2.9 3,-0.1 -2,-0.3 -29,-0.0 -0.466 52.4 -58.7-107.7-175.3 148.5 20.0 46.6 42 69 A S S > S- 0 0 54 -2,-0.2 3,-1.0 1,-0.1 -29,-0.3 -0.488 73.5 -89.3 -64.2 134.6 151.0 22.8 45.7 43 70 A P T 3 S+ 0 0 68 0, 0.0 -28,-0.2 0, 0.0 -1,-0.1 -0.167 105.6 1.8 -52.0 132.6 154.1 21.4 43.9 44 71 A N T 3 S+ 0 0 114 -30,-1.7 2,-0.3 1,-0.2 -30,-0.2 0.865 103.2 124.9 58.9 45.1 156.9 20.3 46.3 45 72 A T < - 0 0 46 -3,-1.0 -32,-2.3 -31,-0.2 2,-0.4 -0.833 52.2-134.4-125.6 166.1 155.1 21.3 49.5 46 73 A S E -A 12 0A 66 -2,-0.3 2,-0.4 -34,-0.2 -34,-0.2 -0.942 18.6-169.2-117.7 141.4 154.1 19.5 52.8 47 74 A R E -A 11 0A 78 -36,-2.4 -36,-2.7 -2,-0.4 2,-0.6 -0.998 23.9-133.5-135.0 137.5 150.7 19.6 54.5 48 75 A R E +A 10 0A 18 -2,-0.4 24,-0.6 -38,-0.2 2,-0.3 -0.826 50.9 155.8 -82.4 115.9 149.5 18.5 57.9 49 76 A V E -AE 9 71A 1 -40,-2.4 -40,-2.5 -2,-0.6 2,-0.3 -0.882 47.4-105.6-139.9 171.6 146.2 16.6 57.0 50 77 A X E +AE 8 70A 0 20,-3.0 20,-2.2 -2,-0.3 2,-0.4 -0.805 46.4 178.0 -96.9 138.1 143.7 13.9 58.1 51 78 A S E -AE 7 69A 1 -44,-2.0 -44,-2.4 -2,-0.3 2,-0.6 -0.988 37.1-150.0-150.8 145.5 143.9 10.7 56.1 52 79 A N E + E 0 68A 26 16,-1.5 15,-3.2 -2,-0.4 16,-2.1 -0.954 48.2 142.1-103.5 115.8 142.5 7.2 55.7 53 80 A Y E - E 0 66A 18 -2,-0.6 2,-0.3 13,-0.3 13,-0.2 -0.976 37.5-140.9-148.2 164.7 145.4 5.1 54.4 54 81 A E E - E 0 65A 36 11,-2.5 11,-2.5 -2,-0.3 2,-0.5 -0.956 13.8-130.7-133.7 152.8 146.9 1.7 54.8 55 82 A T E - E 0 64A 62 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.873 20.3-164.1 -97.3 127.0 150.5 0.4 54.9 56 83 A L E - E 0 63A 36 7,-2.6 7,-2.1 -2,-0.5 2,-0.4 -0.970 8.6-164.8-115.4 129.6 151.4 -2.6 52.6 57 84 A S E - E 0 62A 19 -2,-0.5 659,-2.6 5,-0.2 5,-0.2 -0.888 29.4-163.5-119.6 146.9 154.6 -4.5 53.2 58 85 A N B -f 716 0B 66 3,-2.2 659,-0.1 -2,-0.4 4,-0.1 0.145 68.7 -95.2-102.1 11.3 156.6 -7.0 51.2 59 86 A G S S+ 0 0 22 657,-0.7 659,-0.2 2,-0.3 3,-0.1 0.303 120.1 44.4 90.1 -4.2 158.3 -8.0 54.5 60 87 A H S S+ 0 0 106 1,-0.6 2,-0.3 758,-0.1 -1,-0.1 0.548 119.6 20.0-129.3 -51.3 161.2 -5.7 54.0 61 88 A T - 0 0 89 -5,-0.0 -3,-2.2 2,-0.0 -1,-0.6 -0.859 66.3-155.7-126.2 151.6 159.8 -2.3 52.8 62 89 A A E - E 0 57A 25 -2,-0.3 -31,-0.5 -5,-0.2 2,-0.3 -0.921 3.1-161.7-124.8 157.4 156.3 -0.9 53.0 63 90 A T E - E 0 56A 41 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.4 -0.873 20.6-116.3-132.4 164.7 154.4 1.7 51.0 64 91 A A E -dE 32 55A 0 -33,-2.4 -31,-1.4 -2,-0.3 -30,-1.3 -0.906 14.7-162.4-108.2 138.2 151.3 3.7 51.7 65 92 A V E -dE 34 54A 6 -11,-2.5 -11,-2.5 -2,-0.4 2,-0.5 -0.985 17.9-146.7-113.4 118.8 147.9 3.5 49.8 66 93 A I E +dE 35 53A 0 -32,-2.4 -30,-2.2 -2,-0.5 -29,-0.4 -0.822 25.3 170.3 -94.4 127.6 145.8 6.7 50.5 67 94 A Y E + 0 0 75 -15,-3.2 2,-0.3 -2,-0.5 -14,-0.2 0.736 69.6 9.0-104.4 -32.5 142.0 6.1 50.6 68 95 A S E - 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M 01912k 30 -16,-2.0 -16,-1.6 2,-0.0 -1,-0.3 -0.989 57.2-172.6-152.7 149.1 -7.4 87.1 57.9 1929 96 J L E + M 01911k 14 -2,-0.3 2,-0.3 -18,-0.2 -18,-0.2 -0.992 12.7 160.6-140.3 141.5 -8.7 90.6 57.2 1930 97 J Q E - M 01910k 85 -20,-1.6 -20,-2.8 -2,-0.3 -163,-0.1 -0.977 36.4-100.0-157.7 154.6 -7.1 93.6 55.5 1931 98 J S E - M 01909k 35 -165,-0.7 2,-0.3 -2,-0.3 -22,-0.2 -0.203 27.0-159.0 -71.9 163.7 -8.2 96.8 53.9 1932 99 J L - 0 0 19 -24,-0.6 2,-0.4 84,-0.1 86,-0.2 -0.887 29.6 -98.0-136.0 162.7 -8.5 97.6 50.2 1933 100 J V B -s 2018 0n 55 84,-2.7 86,-2.5 -2,-0.3 50,-0.1 -0.753 28.2-171.7 -89.5 131.6 -8.5 100.9 48.3 1934 101 J T - 0 0 70 -2,-0.4 2,-0.4 84,-0.2 86,-0.2 -0.768 15.0-172.4-117.2 76.5 -12.0 102.3 47.4 1935 102 J P - 0 0 11 0, 0.0 48,-0.1 0, 0.0 -2,-0.0 -0.619 17.5-139.6 -78.6 129.3 -11.1 105.3 45.1 1936 103 J T - 0 0 78 -2,-0.4 48,-0.5 84,-0.1 2,-0.1 -0.730 29.6-111.0 -82.8 125.1 -14.0 107.5 44.1 1937 104 J P + 0 0 0 0, 0.0 48,-0.2 0, 0.0 -1,-0.1 -0.384 45.4 178.1 -59.7 129.0 -13.6 108.6 40.4 1938 105 J K E -v 1985 0o 87 46,-2.4 48,-2.6 -2,-0.1 45,-0.0 -0.986 30.8-102.9-133.2 145.7 -12.8 112.3 40.3 1939 106 J P E > -v 1986 0o 39 0, 0.0 3,-2.2 0, 0.0 6,-0.2 -0.259 34.2-110.5 -66.9 157.9 -12.0 114.7 37.3 1940 107 J A T 3 S+ 0 0 57 46,-0.5 8,-0.1 1,-0.3 47,-0.1 0.734 119.9 58.2 -57.3 -25.9 -8.4 115.8 36.6 1941 108 J D T 3 S+ 0 0 143 3,-0.0 -1,-0.3 2,-0.0 5,-0.0 0.375 80.3 119.6 -85.5 -0.3 -9.3 119.3 37.7 1942 109 J D S X S- 0 0 28 -3,-2.2 3,-2.1 1,-0.1 4,-0.1 -0.409 77.8-116.3 -67.3 143.7 -10.5 118.0 41.2 1943 110 J P G > S+ 0 0 108 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.713 112.0 67.8 -55.1 -23.6 -8.5 119.5 44.2 1944 111 J T G 3 S+ 0 0 99 1,-0.3 3,-0.3 2,-0.1 -4,-0.1 0.782 101.9 47.6 -65.0 -26.3 -7.1 116.0 45.1 1945 112 J Y G X S+ 0 0 23 -3,-2.1 3,-1.9 -6,-0.2 -1,-0.3 0.181 77.4 114.1-100.2 17.6 -5.1 116.2 41.9 1946 113 J R T < S+ 0 0 82 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.829 75.6 51.8 -55.5 -39.9 -3.8 119.8 42.6 1947 114 J D T 3 S- 0 0 152 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.324 126.2 -88.5 -83.6 7.4 -0.1 118.5 42.9 1948 115 J G < - 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