==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYMPHOKINE 25-AUG-89 1TNF . COMPND 2 MOLECULE: TUMOR NECROSIS FACTOR-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.J.ECK,S.R.SPRANG . 456 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 61.4 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 . 171 37.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 2 0.4 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 . 69 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 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 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 . 6 11 2 1 2 5 0 1 0 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 3 0 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 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 6 A R 0 0 87 0, 0.0 425,-0.0 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0-146.1 31.0 48.6 62.4 2 7 A T + 0 0 101 31,-0.1 2,-0.3 29,-0.0 3,-0.0 -0.973 360.0 163.2-120.7 109.2 33.2 45.8 60.9 3 8 A P + 0 0 33 0, 0.0 3,-0.4 0, 0.0 352,-0.0 -0.826 60.5 11.1 -77.4 161.7 32.2 42.4 60.0 4 9 A S S S- 0 0 54 -2,-0.3 2,-0.7 1,-0.2 351,-0.0 0.606 78.9 -98.3 58.3 155.0 34.6 40.6 57.8 5 10 A D S S+ 0 0 148 2,-0.1 -1,-0.2 28,-0.1 -3,-0.0 -0.363 83.6 123.7 -90.6 55.8 38.2 41.2 56.7 6 11 A K - 0 0 67 -2,-0.7 28,-0.8 -3,-0.4 2,-0.4 -0.889 69.7-118.3-108.3 142.9 36.8 42.6 53.5 7 12 A P + 0 0 10 0, 0.0 144,-2.4 0, 0.0 2,-0.3 -0.727 47.5 165.4 -64.6 130.4 37.7 46.1 52.2 8 13 A V E +A 150 0A 5 -2,-0.4 25,-1.6 142,-0.2 28,-0.3 -0.873 15.0 178.4-134.5 171.1 34.3 48.0 52.1 9 14 A A E +AB 149 32A 1 140,-1.7 140,-1.0 -2,-0.3 23,-0.2 -0.898 11.0 178.8-165.2 143.4 33.5 51.7 51.8 10 15 A H E +AB 148 31A 8 21,-2.4 21,-0.6 -2,-0.3 138,-0.3 -0.618 20.7 175.1-151.1 96.7 30.1 53.6 51.6 11 16 A V E -A 147 0A 0 136,-3.1 136,-1.8 -2,-0.2 2,-0.3 -0.678 13.6-145.9-103.2 159.5 30.7 57.3 51.4 12 17 A V E -A 146 0A 9 12,-2.6 2,-0.3 -2,-0.2 12,-0.3 -0.874 24.2 -91.5-130.1 159.5 28.1 60.1 50.9 13 18 A A - 0 0 2 132,-1.7 10,-0.2 -2,-0.3 132,-0.1 -0.480 40.8-119.1 -72.4 123.6 27.8 63.5 49.2 14 19 A N - 0 0 36 8,-2.8 8,-0.1 -2,-0.3 -1,-0.1 -0.519 21.9-154.9 -59.6 113.5 28.7 66.4 51.5 15 20 A P S S+ 0 0 62 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 0.710 88.1 59.1 -72.5 -18.0 25.4 68.4 51.6 16 21 A Q S S+ 0 0 179 2,-0.1 2,-0.1 -3,-0.0 -2,-0.0 -0.873 79.0 106.3-108.1 83.6 27.1 71.6 52.3 17 22 A A > - 0 0 22 -2,-0.9 3,-0.8 -4,-0.0 2,-0.4 -0.672 64.9-139.2-165.9 98.2 29.3 71.7 49.2 18 23 A E T 3 S- 0 0 181 1,-0.2 117,-0.1 -2,-0.1 -2,-0.1 -0.579 74.2 -16.4 -68.6 113.4 28.2 74.2 46.7 19 24 A G T 3 S+ 0 0 55 -2,-0.4 2,-0.3 115,-0.1 -1,-0.2 0.759 110.6 84.1 64.8 49.0 28.5 72.9 43.1 20 25 A Q S < S- 0 0 93 -3,-0.8 2,-0.7 114,-0.2 -1,-0.1 -0.970 74.5-118.0-167.1 143.2 30.7 69.8 43.3 21 26 A L + 0 0 18 -2,-0.3 2,-0.4 110,-0.2 108,-0.1 -0.900 44.1 171.9 -94.5 122.2 30.3 66.1 44.2 22 27 A Q - 0 0 61 -2,-0.7 -8,-2.8 -8,-0.1 -2,-0.1 -0.996 23.4-133.5-132.7 124.8 32.4 65.7 47.1 23 28 A W - 0 0 12 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.297 21.8-179.1 -82.8 171.0 32.4 62.5 49.2 24 29 A L - 0 0 22 -12,-0.3 -12,-2.6 -2,-0.1 2,-0.1 -0.968 10.1-172.7-158.9 149.9 32.2 62.1 52.9 25 30 A N + 0 0 32 -2,-0.3 2,-2.2 -14,-0.2 6,-0.2 -0.197 60.5 80.0-127.5-133.9 32.2 59.1 55.4 26 31 A R S S+ 0 0 194 4,-1.0 4,-0.1 -2,-0.1 5,-0.1 0.057 80.1 101.1 60.0 -33.1 31.6 59.4 59.3 27 32 A R S > S- 0 0 91 -2,-2.2 3,-1.2 2,-0.1 -1,-0.1 0.274 94.7 -50.4 -65.0-163.7 27.8 59.5 58.6 28 33 A A T 3 S- 0 0 82 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.854 131.4 -2.9 -39.3 -68.0 25.1 56.8 58.9 29 34 A N T 3 S+ 0 0 24 365,-0.1 2,-0.7 2,-0.1 -1,-0.3 -0.730 89.5 145.4-130.9 67.9 26.6 54.0 57.0 30 35 A A < - 0 0 16 -3,-1.2 -4,-1.0 -2,-0.4 2,-0.2 -0.705 28.5-179.0-116.2 78.6 29.6 55.8 56.0 31 36 A L E +B 10 0A 22 -2,-0.7 -21,-2.4 -21,-0.6 2,-0.4 -0.527 27.0 168.9 -83.6 140.7 32.1 53.1 56.0 32 37 A L E +B 9 0A 67 -23,-0.2 -23,-0.2 -2,-0.2 2,-0.1 -0.876 32.0 156.2-143.5 115.1 35.8 53.2 55.3 33 38 A A > + 0 0 26 -25,-1.6 2,-1.8 -2,-0.4 3,-0.7 -0.007 40.6 13.5-117.0-131.1 37.1 49.9 56.4 34 39 A N T 3 S- 0 0 43 -28,-0.8 3,-0.1 1,-0.3 -1,-0.1 -0.162 125.9 -37.8 -65.7 77.0 40.0 47.5 55.8 35 40 A G T 3 S+ 0 0 51 -2,-1.8 2,-0.5 1,-0.4 -1,-0.3 0.465 94.0 134.0 96.9 -4.1 42.5 49.6 53.8 36 41 A V < - 0 0 6 -3,-0.7 2,-0.4 -28,-0.3 -1,-0.4 -0.736 36.1-168.9 -81.6 128.9 40.2 51.6 51.6 37 42 A E E -G 44 0B 105 7,-1.2 7,-3.2 -2,-0.5 2,-0.4 -0.983 13.6-147.5-122.9 127.6 41.5 55.1 51.8 38 43 A L E +G 43 0B 38 -2,-0.4 5,-0.2 5,-0.2 -13,-0.0 -0.805 31.9 161.7 -91.5 135.8 39.4 57.9 50.4 39 44 A R + 0 0 164 3,-2.8 2,-2.0 -2,-0.4 -1,-0.1 0.192 55.3 2.5-124.8-107.8 41.7 60.6 49.0 40 45 A D S S- 0 0 119 1,-0.2 3,-0.1 -2,-0.0 -1,-0.0 -0.479 130.0 -54.4 -89.2 65.1 41.2 63.6 46.6 41 46 A N S S+ 0 0 45 -2,-2.0 88,-0.5 1,-0.2 2,-0.3 0.584 123.8 97.4 70.8 17.9 37.4 62.9 46.2 42 47 A Q S S- 0 0 45 86,-0.1 -3,-2.8 -19,-0.1 2,-0.5 -0.893 72.7-116.7-136.4 159.5 38.4 59.2 45.2 43 48 A L E -GH 38 127B 0 84,-2.0 84,-1.0 -2,-0.3 2,-0.6 -0.841 21.4-151.8-102.7 118.5 38.7 55.6 46.6 44 49 A V E -GH 37 126B 25 -7,-3.2 -7,-1.2 -2,-0.5 82,-0.2 -0.811 20.9-129.3 -90.0 125.1 42.2 54.0 46.6 45 50 A V - 0 0 1 80,-1.4 79,-3.2 -2,-0.6 -9,-0.1 -0.540 19.5-169.4 -71.6 127.1 42.0 50.2 46.3 46 51 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 77,-0.2 0.885 62.5 36.7 -76.5 -40.3 43.9 48.0 48.8 47 52 A S S S- 0 0 49 75,-0.2 2,-0.4 76,-0.1 74,-0.1 -0.792 73.4-114.3-131.4 153.4 43.6 44.5 47.4 48 53 A E S S+ 0 0 108 -2,-0.3 2,-0.3 74,-0.1 74,-0.2 -0.739 74.0 91.4 -81.6 128.3 43.6 42.5 44.2 49 54 A G E S-C 121 0A 11 72,-1.3 72,-1.6 -2,-0.4 2,-0.3 -0.936 80.8 -62.2 170.0 179.5 40.1 41.0 44.0 50 55 A L E -C 120 0A 8 102,-0.8 102,-1.9 -2,-0.3 2,-0.3 -0.673 48.7-170.4 -83.0 143.3 36.6 41.4 42.8 51 56 A Y E -CD 119 151A 0 68,-2.2 68,-1.7 -2,-0.3 2,-0.5 -0.922 22.7-133.6-129.1 156.4 34.8 44.4 44.2 52 57 A L E -C 118 0A 11 98,-1.5 2,-0.5 -2,-0.3 98,-0.5 -0.981 25.3-167.1-107.4 122.2 31.1 45.3 43.9 53 58 A I E +C 117 0A 0 64,-1.7 64,-2.1 -2,-0.5 2,-0.3 -0.984 15.6 165.3-116.2 119.1 31.1 49.0 43.0 54 59 A Y E +CE 116 148A 0 94,-1.9 94,-1.6 -2,-0.5 62,-0.3 -0.879 7.3 173.0-126.9 163.7 27.6 50.6 43.4 55 60 A S E -CE 115 147A 0 60,-2.2 60,-2.4 -2,-0.3 2,-0.4 -0.907 11.5-166.1-167.5 141.1 26.5 54.2 43.5 56 61 A Q E +CE 114 146A 1 90,-1.1 90,-1.7 -2,-0.3 2,-0.3 -0.980 7.9 176.6-127.4 147.9 23.3 56.2 43.5 57 62 A V E -C 113 0A 0 56,-2.7 56,-2.1 -2,-0.4 2,-0.4 -0.953 14.8-149.1-137.2 164.0 22.6 60.0 42.9 58 63 A L E -C 112 0A 4 -2,-0.3 80,-0.7 54,-0.2 2,-0.4 -0.929 6.1-158.0-129.2 152.5 19.4 61.9 42.8 59 64 A F E +CF 111 137A 0 52,-1.2 52,-2.4 -2,-0.4 2,-0.3 -0.994 10.7 179.2-134.9 142.2 18.6 64.9 40.8 60 65 A K E +C 110 0A 79 76,-1.9 2,-0.3 -2,-0.4 50,-0.2 -0.923 8.6 157.3-133.7 163.1 15.9 67.5 41.4 61 66 A G E -C 109 0A 11 48,-1.7 48,-3.2 -2,-0.3 2,-0.4 -0.919 35.2-128.2-171.6 172.1 14.9 70.6 39.6 62 67 A Q E S-C 108 0A 129 1,-0.5 44,-0.1 46,-0.3 45,-0.1 -0.936 77.5 -8.7-137.6 107.2 11.7 72.6 39.5 63 68 A G S S- 0 0 11 44,-3.1 -1,-0.5 -2,-0.4 43,-0.1 0.281 83.1 -90.3 75.4 152.0 10.6 73.2 35.9 64 69 A a - 0 0 3 41,-0.2 36,-0.2 1,-0.1 3,-0.2 -0.910 42.0-168.5-111.9 120.1 12.4 72.6 32.8 65 70 A P + 0 0 62 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.584 57.8 0.8 -87.4-126.6 14.6 75.5 31.6 66 71 A S S S- 0 0 100 1,-0.1 2,-1.0 2,-0.1 34,-0.0 -0.511 95.8 -90.6 -79.5 111.3 16.2 75.7 28.2 67 72 A T S S+ 0 0 64 -2,-0.8 31,-0.5 -3,-0.2 2,-0.4 0.063 100.6 41.9 31.1 -60.6 15.3 72.7 26.2 68 73 A H + 0 0 45 -2,-1.0 -1,-0.2 1,-0.2 29,-0.1 -0.606 47.4 158.4-141.3 97.1 18.1 70.1 26.9 69 74 A V - 0 0 16 -2,-0.4 -1,-0.2 27,-0.3 25,-0.1 0.884 18.1-166.0 -75.2 -57.6 19.8 69.1 30.1 70 75 A L - 0 0 46 23,-0.2 2,-0.4 1,-0.1 24,-0.2 0.873 7.6-154.6 55.4 103.2 21.5 65.6 30.3 71 76 A L E -K 93 0C 0 22,-2.1 22,-2.2 61,-0.1 2,-0.4 -0.866 16.5-165.1 -96.6 137.6 22.4 64.5 33.7 72 77 A T E -K 92 0C 32 -2,-0.4 60,-1.0 20,-0.2 61,-0.4 -0.981 15.3-167.9-128.8 145.2 25.2 62.0 33.6 73 78 A H E +I 131 0B 0 18,-2.5 18,-0.4 -2,-0.4 2,-0.4 -0.816 16.3 172.6-131.3 105.6 26.5 59.6 36.2 74 79 A T E -I 130 0B 21 56,-2.1 56,-0.7 -2,-0.3 2,-0.5 -0.915 21.7-163.8-120.4 128.4 29.9 57.9 35.6 75 80 A I E -IJ 129 89B 0 14,-2.2 13,-2.2 -2,-0.4 14,-1.6 -0.945 27.6-177.8-100.1 130.5 32.1 55.7 37.8 76 81 A S E -IJ 128 87B 4 52,-1.5 52,-2.3 -2,-0.5 2,-0.5 -0.811 21.7-136.8-126.5 163.1 35.7 55.6 36.3 77 82 A R E -IJ 127 86B 12 9,-2.3 9,-2.8 -2,-0.3 2,-1.1 -0.972 6.3-165.7-125.6 117.1 38.9 53.9 37.1 78 83 A I E -IJ 126 85B 51 48,-1.2 48,-1.8 -2,-0.5 7,-0.2 -0.849 38.1-154.1-102.8 92.7 42.3 55.6 36.9 79 84 A A - 0 0 4 -2,-1.1 5,-0.1 5,-1.0 45,-0.0 -0.325 24.8-120.4 -74.4 149.7 44.2 52.3 37.1 80 85 A V S S+ 0 0 72 1,-0.1 3,-0.2 3,-0.1 -1,-0.1 0.550 111.1 24.4 -69.8 -2.9 47.6 51.4 38.3 81 86 A S S S+ 0 0 81 1,-0.2 2,-2.3 3,-0.1 -1,-0.1 0.599 127.2 42.8-123.0 -60.7 48.8 50.0 34.9 82 87 A Y S S- 0 0 105 1,-0.1 2,-1.7 2,-0.1 -3,-0.8 -0.536 89.6-163.3 -82.6 78.9 46.6 51.8 32.3 83 88 A Q + 0 0 157 -2,-2.3 2,-0.3 -3,-0.2 -3,-0.1 -0.476 49.9 85.4 -75.7 89.1 47.1 55.0 34.3 84 89 A T S S- 0 0 79 -2,-1.7 2,-1.5 -7,-0.2 -5,-1.0 -0.904 92.9 -81.0-174.5 160.5 44.4 57.0 33.0 85 90 A K E +J 78 0B 106 -2,-0.3 -7,-0.3 -7,-0.2 -2,-0.1 -0.507 50.8 178.8 -78.7 86.4 40.7 57.5 33.7 86 91 A V E -J 77 0B 41 -9,-2.8 -9,-2.3 -2,-1.5 2,-0.5 -0.418 31.3-108.3 -82.4 176.7 38.9 54.5 31.9 87 92 A N E +J 76 0B 48 -11,-0.3 -11,-0.3 1,-0.1 3,-0.1 -0.848 35.9 172.1-121.0 120.6 35.1 54.3 32.3 88 93 A L E - 0 0 3 -13,-2.2 2,-0.3 -2,-0.5 -12,-0.2 0.912 67.0 -2.4 -95.1 -42.8 33.3 51.7 34.4 89 94 A L E +J 75 0B 0 -14,-1.6 -14,-2.2 207,-0.1 -1,-0.3 -0.957 67.5 167.8-147.1 150.9 29.6 52.4 34.7 90 95 A S - 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