==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYMPHOKINE 27-MAR-98 1A8M . COMPND 2 MOLECULE: TUMOR NECROSIS FACTOR ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.REED,Z.-Q.FU,J.WU,Y.-N.XUE,R.W.HARRISON,M.-J.CHEN, . 456 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18277.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 58.6 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 . 167 36.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 59 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 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 . 5 11 3 1 2 4 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 2 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 6 A R 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.1 32.1 47.7 65.3 2 7 A T - 0 0 74 352,-0.0 354,-0.0 29,-0.0 424,-0.0 -0.890 360.0-132.8-162.6 120.9 32.4 46.8 61.6 3 8 A P + 0 0 29 0, 0.0 352,-0.1 0, 0.0 30,-0.0 0.017 50.6 39.3 -70.5-179.7 32.4 43.2 60.0 4 9 A S - 0 0 68 1,-0.1 30,-0.2 3,-0.0 351,-0.0 0.742 64.4-112.7 47.9 145.5 34.4 41.2 57.4 5 10 A D S S+ 0 0 142 2,-0.1 -1,-0.1 29,-0.0 29,-0.1 0.915 88.1 95.1 -62.6 -44.8 38.0 40.9 56.5 6 11 A K S S- 0 0 101 145,-0.1 28,-0.2 1,-0.1 29,-0.1 -0.246 80.2-114.0 -63.7 130.9 37.5 42.6 53.1 7 12 A P + 0 0 11 0, 0.0 144,-2.4 0, 0.0 2,-0.3 -0.293 44.4 164.9 -62.4 134.1 38.0 46.3 52.5 8 13 A V B -A 150 0A 5 142,-0.2 25,-0.8 28,-0.1 28,-0.3 -0.855 15.7-168.0-141.8 175.1 34.9 48.3 51.7 9 14 A A B +B 32 0B 2 140,-3.0 23,-0.2 -2,-0.3 140,-0.2 -0.968 14.9 176.6-164.0 161.7 33.8 51.9 51.5 10 15 A H + 0 0 7 21,-1.7 21,-0.3 -2,-0.3 138,-0.2 -0.409 17.5 174.3-172.5 82.1 30.6 54.1 51.2 11 16 A V E -C 147 0C 0 136,-1.5 136,-1.0 19,-0.2 2,-0.3 -0.181 16.1-145.1 -83.1-171.0 31.2 57.8 51.3 12 17 A V E -C 146 0C 3 12,-1.5 12,-0.3 134,-0.2 134,-0.2 -0.996 20.2 -86.8-159.1 151.7 28.4 60.4 50.8 13 18 A A - 0 0 1 132,-2.2 10,-0.2 -2,-0.3 132,-0.1 -0.317 34.9-127.1 -62.4 145.9 27.8 63.8 49.3 14 19 A N > - 0 0 43 8,-1.7 2,-1.2 1,-0.1 3,-1.2 -0.845 8.1-148.9 -95.6 117.9 28.3 67.0 51.4 15 20 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 124,-0.1 -0.053 92.4 61.6 -77.0 37.1 25.2 69.2 51.3 16 21 A Q T 3 + 0 0 133 -2,-1.2 2,-0.3 6,-0.1 -3,-0.0 0.537 69.5 103.3-131.4 -28.9 27.5 72.2 51.6 17 22 A A S X S- 0 0 14 -3,-1.2 2,-1.0 5,-0.1 3,-0.6 -0.441 70.5-134.0 -66.7 120.3 29.7 72.1 48.5 18 23 A E T 3 S- 0 0 180 -2,-0.3 -1,-0.1 1,-0.2 117,-0.1 -0.689 79.2 -15.6 -79.6 103.2 28.4 74.8 46.2 19 24 A G T 3 S+ 0 0 53 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.919 116.1 78.9 71.9 50.2 28.2 73.2 42.8 20 25 A Q S < S- 0 0 97 -3,-0.6 2,-0.7 114,-0.2 -1,-0.2 -0.960 78.5-104.8-172.9 159.8 30.3 70.0 43.0 21 26 A L - 0 0 17 -2,-0.3 2,-0.5 110,-0.1 108,-0.1 -0.906 37.4-179.3-102.4 112.7 30.1 66.5 44.3 22 27 A Q - 0 0 64 -2,-0.7 -8,-1.7 -8,-0.2 -5,-0.1 -0.978 13.4-151.0-113.7 121.8 32.1 66.1 47.6 23 28 A W - 0 0 15 -2,-0.5 2,-0.3 -10,-0.2 -10,-0.2 -0.432 12.2-168.4 -87.7 163.3 32.2 62.7 49.2 24 29 A L - 0 0 35 -12,-0.3 -12,-1.5 -2,-0.1 3,-0.2 -0.974 23.4-156.1-152.5 146.5 32.6 62.2 52.9 25 30 A N S S+ 0 0 69 -2,-0.3 -14,-0.1 -14,-0.2 7,-0.0 -0.007 86.1 63.7-114.7 28.4 33.3 59.2 55.2 26 31 A D S S+ 0 0 137 -14,-0.1 2,-0.2 5,-0.1 -1,-0.1 0.359 88.7 65.5-130.1 -2.2 31.8 60.6 58.4 27 32 A R S > S+ 0 0 55 -3,-0.2 3,-3.2 -15,-0.1 -3,-0.1 -0.772 98.7 0.8-120.2 170.1 28.0 61.1 57.7 28 33 A A T 3 S- 0 0 66 1,-0.3 -16,-0.1 -2,-0.2 115,-0.0 -0.305 130.5 -40.5 49.0-136.4 25.1 58.7 57.0 29 34 A N T 3 S+ 0 0 62 -18,-0.1 2,-2.3 365,-0.1 -1,-0.3 -0.196 84.4 167.2-109.9 41.3 26.7 55.3 57.1 30 35 A A < - 0 0 8 -3,-3.2 -19,-0.2 2,-0.1 -18,-0.1 -0.284 18.1-167.3 -61.8 74.5 29.8 56.6 55.3 31 36 A L + 0 0 29 -2,-2.3 -21,-1.7 -21,-0.3 -5,-0.1 -0.075 26.2 177.7 -61.2 159.5 32.2 53.6 55.9 32 37 A L B +B 9 0B 53 -23,-0.2 3,-0.3 5,-0.0 -23,-0.2 -0.444 29.8 162.4-162.6 61.8 36.0 53.6 55.2 33 38 A A > + 0 0 19 -25,-0.8 3,-1.7 1,-0.2 2,-0.9 0.268 45.3 2.3 -72.1-159.4 37.0 50.1 56.4 34 39 A N T 3 S- 0 0 80 1,-0.3 -1,-0.2 -30,-0.2 -25,-0.0 0.095 126.8 -36.2 -27.6 68.3 40.0 47.8 55.9 35 40 A G T 3 S+ 0 0 35 -2,-0.9 -1,-0.3 1,-0.3 2,-0.2 0.564 93.2 131.8 92.9 -0.5 42.4 49.8 53.7 36 41 A V < - 0 0 5 -3,-1.7 2,-0.3 -28,-0.3 -1,-0.3 -0.569 39.7-159.0 -78.5 154.6 40.1 51.8 51.4 37 42 A E E -H 44 0D 93 7,-1.3 7,-2.7 -2,-0.2 2,-0.7 -0.845 16.0-150.2-141.6 104.3 41.1 55.5 51.3 38 43 A L E +H 43 0D 34 -2,-0.3 5,-0.2 5,-0.2 -13,-0.1 -0.661 44.3 156.2 -68.3 115.6 38.8 58.2 50.2 39 44 A R + 0 0 165 3,-2.4 2,-1.3 -2,-0.7 -1,-0.1 0.564 52.9 6.3-111.6-104.9 41.5 60.6 48.9 40 45 A D S S- 0 0 120 2,-0.3 3,-0.1 1,-0.2 -2,-0.1 -0.106 131.5 -60.0 -81.5 42.8 41.6 63.4 46.3 41 46 A N S S+ 0 0 57 -2,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.671 125.1 86.6 84.4 28.7 37.8 63.0 46.2 42 47 A Q S S- 0 0 36 -5,-0.1 -3,-2.4 86,-0.1 2,-0.4 -0.981 84.3-103.3-156.0 143.9 38.2 59.4 45.0 43 48 A L E -HI 38 127D 0 84,-1.1 84,-1.2 -2,-0.3 2,-0.4 -0.480 29.3-150.1 -73.3 118.9 38.6 56.0 46.6 44 49 A V E -HI 37 126D 27 -7,-2.7 -7,-1.3 -2,-0.4 82,-0.2 -0.780 27.3-118.6 -85.8 132.4 42.2 54.7 46.4 45 50 A V - 0 0 2 80,-2.0 79,-3.0 -2,-0.4 80,-0.2 -0.620 17.2-157.4 -83.1 128.1 42.0 50.9 46.2 46 51 A P - 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.963 66.0 -14.4 -66.0 -48.6 43.7 48.8 49.0 47 52 A S S S- 0 0 63 1,-0.2 74,-0.1 75,-0.2 78,-0.0 -0.924 71.3 -71.9-154.3 177.2 44.1 45.6 47.0 48 53 A E + 0 0 85 -2,-0.3 74,-0.2 -3,-0.1 -1,-0.2 0.111 69.9 81.0 -57.0 174.0 43.5 43.2 44.1 49 54 A G E S-D 121 0C 18 72,-0.9 72,-1.6 106,-0.1 2,-0.4 -0.341 82.0 -51.4 114.7 167.0 40.3 41.4 43.7 50 55 A L E -D 120 0C 5 70,-0.3 102,-2.8 102,-0.1 2,-0.3 -0.669 55.3-171.1 -80.5 123.9 36.7 41.6 42.4 51 56 A Y E -DE 119 151C 1 68,-3.0 68,-2.1 -2,-0.4 2,-0.7 -0.896 22.7-132.8-116.4 157.9 35.0 44.7 43.9 52 57 A L E -D 118 0C 9 98,-1.7 2,-0.5 -2,-0.3 66,-0.2 -0.871 24.2-166.0-111.8 95.5 31.3 45.7 43.7 53 58 A I E +D 117 0C 0 64,-2.0 64,-1.6 -2,-0.7 2,-0.3 -0.728 17.4 161.0 -87.2 121.9 31.1 49.4 42.7 54 59 A Y E +DF 116 148C 0 94,-2.3 94,-2.8 -2,-0.5 2,-0.3 -0.966 5.2 161.8-138.1 154.4 27.7 51.0 43.2 55 60 A S E -DF 115 147C 0 60,-2.2 60,-0.6 -2,-0.3 2,-0.3 -0.987 16.6-156.4-164.9 161.0 26.5 54.6 43.4 56 61 A Q E -DF 114 146C 1 90,-2.3 90,-1.1 -2,-0.3 2,-0.3 -0.969 4.4-171.5-152.8 133.8 23.5 56.8 43.2 57 62 A V E -D 113 0C 0 56,-2.0 56,-2.0 -2,-0.3 2,-0.4 -0.888 11.1-149.8-121.9 151.3 22.8 60.4 42.4 58 63 A L E -D 112 0C 1 -2,-0.3 80,-1.4 54,-0.2 2,-0.3 -0.918 10.3-163.3-120.8 148.8 19.6 62.3 42.7 59 64 A F E -DG 111 137C 0 52,-0.9 52,-2.7 -2,-0.4 2,-0.3 -0.953 7.1-177.9-132.7 149.1 18.6 65.3 40.5 60 65 A K E +D 110 0C 79 76,-2.0 2,-0.3 -2,-0.3 50,-0.2 -0.997 12.0 143.8-149.6 151.4 15.9 68.0 40.9 61 66 A G E -D 109 0C 11 48,-1.6 48,-1.9 -2,-0.3 2,-0.4 -0.915 37.9-121.1-165.2-177.2 14.4 71.0 39.2 62 67 A Q E S-D 108 0C 115 1,-0.5 44,-0.6 46,-0.3 45,-0.1 -0.903 77.6 -17.0-142.1 108.9 11.2 72.8 38.6 63 68 A G S S- 0 0 12 44,-1.7 -1,-0.5 -2,-0.4 46,-0.1 0.142 85.6 -81.7 74.1 157.7 10.1 73.2 35.1 64 69 A a - 0 0 12 1,-0.1 3,-0.1 -3,-0.1 32,-0.0 -0.859 42.6-177.7-105.5 130.2 12.3 72.8 32.0 65 70 A P + 0 0 64 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.724 64.8 19.7 -89.2-118.8 14.6 75.6 30.8 66 71 A S S S- 0 0 97 1,-0.2 2,-0.4 2,-0.1 34,-0.1 -0.564 99.0-103.4 -59.9 112.7 16.9 75.6 27.7 67 72 A T S S+ 0 0 62 -2,-0.5 31,-0.5 -3,-0.1 2,-0.4 0.445 103.0 53.5 -16.0 -30.0 15.1 72.7 25.8 68 73 A H + 0 0 43 -2,-0.4 -1,-0.1 1,-0.1 28,-0.1 -0.839 47.7 160.0-136.0 118.8 17.9 70.2 26.8 69 74 A V - 0 0 8 26,-0.5 -1,-0.1 -2,-0.4 25,-0.1 0.971 17.8-167.7 -84.6 -69.6 19.4 69.3 30.1 70 75 A L - 0 0 54 25,-0.3 2,-0.4 1,-0.1 24,-0.2 0.995 6.5-158.3 68.4 81.1 21.2 65.9 30.1 71 76 A L E -J 93 0D 0 22,-2.0 22,-2.7 60,-0.1 2,-0.3 -0.723 18.0-172.0 -85.0 132.3 22.0 64.7 33.6 72 77 A T E -J 92 0D 30 -2,-0.4 60,-0.8 20,-0.2 2,-0.4 -0.956 16.1-166.8-129.3 152.3 24.9 62.2 33.4 73 78 A H E +JK 91 131D 0 18,-2.2 18,-1.8 -2,-0.3 2,-0.4 -0.985 13.0 172.6-138.2 120.4 26.5 59.9 35.9 74 79 A T E -JK 90 130D 31 56,-1.8 56,-2.3 -2,-0.4 2,-0.6 -0.983 21.5-161.7-135.7 132.7 29.9 58.1 35.4 75 80 A I E -JK 89 129D 0 14,-2.5 13,-1.9 -2,-0.4 14,-1.0 -0.948 25.4-171.2-106.2 114.0 32.1 56.0 37.6 76 81 A S E -JK 87 128D 5 52,-1.7 52,-2.1 -2,-0.6 2,-0.3 -0.904 16.6-143.3-113.7 139.0 35.6 55.9 36.0 77 82 A R E -JK 86 127D 15 9,-2.4 9,-1.6 -2,-0.4 2,-0.4 -0.741 3.5-162.7 -97.0 135.9 38.6 53.8 36.9 78 83 A I E - K 0 126D 43 48,-2.1 48,-1.4 -2,-0.3 7,-0.2 -0.798 27.3-148.8-117.7 80.7 42.1 55.4 36.6 79 84 A A - 0 0 0 3,-0.6 5,-0.1 5,-0.4 45,-0.1 -0.121 19.4-129.9 -49.7 142.3 44.2 52.1 36.7 80 85 A V S S+ 0 0 68 1,-0.2 3,-0.3 43,-0.2 -1,-0.1 0.712 112.9 45.9 -68.9 -16.3 47.7 52.0 38.1 81 86 A S S S+ 0 0 83 1,-0.3 2,-1.0 3,-0.1 -1,-0.2 0.930 123.5 27.8 -85.8 -63.9 48.6 50.3 34.8 82 87 A Y S S- 0 0 103 2,-0.1 2,-1.6 4,-0.0 -3,-0.6 -0.796 82.0-159.2-102.9 87.9 46.8 52.5 32.3 83 88 A Q + 0 0 154 -2,-1.0 2,-0.3 -3,-0.3 -3,-0.1 -0.549 53.4 97.8 -70.6 87.6 46.9 55.8 34.1 84 89 A T S S- 0 0 82 -2,-1.6 -5,-0.4 -7,-0.1 -2,-0.1 -0.891 84.9 -94.4-169.6 135.2 44.1 57.6 32.3 85 90 A K - 0 0 108 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.385 47.0-173.9 -56.2 138.9 40.5 58.0 33.5 86 91 A V E -J 77 0D 40 -9,-1.6 -9,-2.4 209,-0.0 209,-0.1 -0.916 26.8-110.4-143.8 118.6 38.4 55.2 31.9 87 92 A N E +J 76 0D 47 -2,-0.3 -11,-0.2 -11,-0.3 209,-0.2 -0.111 33.8 171.9 -43.8 139.7 34.6 54.8 32.1 88 93 A L E S- 0 0 3 -13,-1.9 2,-0.3 1,-0.5 -12,-0.2 0.566 72.0 -3.9-123.5 -34.0 33.4 51.9 34.1 89 94 A L E S+J 75 0D 0 -14,-1.0 -14,-2.5 206,-0.2 -1,-0.5 -0.858 71.0 178.3-163.1 133.2 29.6 52.5 34.2 90 95 A S E -J 74 0D 2 206,-2.3 2,-0.3 -2,-0.3 -16,-0.2 -0.979 7.7-177.3-140.8 151.2 27.7 55.5 32.8 91 96 A A E -J 73 0D 1 -18,-1.8 -18,-2.2 -2,-0.3 2,-0.5 -0.968 8.9-161.2-152.3 135.8 24.1 56.7 32.5 92 97 A I E +J 72 0D 28 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.981 12.0 177.9-119.4 126.6 22.5 59.6 30.9 93 98 A K E -J 71 0D 9 -22,-2.7 -22,-2.0 -2,-0.5 171,-0.1 -0.864 10.0-161.3-119.8 155.5 19.0 60.7 31.9 94 99 A S - 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